changeset 0:30e680e555d4 draft

"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author recetox
date Tue, 22 Mar 2022 16:07:32 +0000
parents
children f680068b7863
files macros.xml matchms_similarity.xml matchms_similarity_wrapper.py test-data/filtering/clean_metadata.msp test-data/filtering/default_filters.msp test-data/filtering/input.msp test-data/filtering/mz_range.msp test-data/filtering/normalise_intensities.msp test-data/filtering/relative_intensity.msp test-data/formatter/test2_threshold_formatting.tsv test-data/formatter/test2_topk_formatting.tsv test-data/matches_test2_out.tsv test-data/scores_test2_out.tsv test-data/similarity/fill.mgf test-data/similarity/fill.msp test-data/similarity/fill2.msp test-data/similarity/matches_test1_out.tsv test-data/similarity/matches_test3_out.tsv test-data/similarity/matches_test4_out.tsv test-data/similarity/matches_test5_out.tsv test-data/similarity/matches_test6_out.tsv test-data/similarity/recetox_gc-ei_ms_20201028.msp test-data/similarity/scores_test1_out.tsv test-data/similarity/scores_test3_out.tsv test-data/similarity/scores_test4_out.tsv test-data/similarity/scores_test5_out.tsv test-data/similarity/scores_test6_out.tsv
diffstat 27 files changed, 47439 insertions(+), 0 deletions(-) [+]
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,70 @@
+<macros>
+    <token name="@TOOL_VERSION@">0.14.0</token>
+
+    <xml name="creator">
+        <creator>
+            <person
+                givenName="Helge"
+                familyName="Hecht"
+                url="https://github.com/hechth"
+                identifier="0000-0001-6744-996X" />
+            <organization
+                url="https://www.recetox.muni.cz/"
+                email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
+                name="RECETOX MUNI" />
+        </creator>
+    </xml>
+
+    <token name="@HELP_matchms@">
+        <![CDATA[
+            Documentation
+                For documentation on the tool see https://github.com/matchms/matchms/blob/master/README.rst
+                and https://matchms.readthedocs.io/en/latest/.
+
+            Upstream Tools
+                +-----------+---------------+--------+-----------+
+                | Name      | Output File   | Format | Parameter |
+                +===========+===============+========+===========+
+                | RAMClustR | Mass spectra  | msp    | references|
+                +-----------+---------------+--------+-----------+
+                | RAMClustR | Mass spectra  | msp    | queries   |
+                +-----------+---------------+--------+-----------+
+
+            Downstream Tools
+                The outputs are two tsv datasets. One containing the similarity scores and the other number of matched peaks.
+        ]]>
+    </token>
+
+    <token name="@HELP_formatter@">
+        <![CDATA[
+            Usage
+                This tool creates user friendly tables from the data matrices produces by matchms.
+                The tool can be operated on two modes based on (i) thresholds or (ii) top k matches.
+
+            Input Table Format
+                The tool expects two data matrices with the format as depicted below.
+                The tool assumes the reference compound labels as row labels and the query labels as column labels (as naturally outputted by matchms).
+
+                +----------+------+------+-----+
+                |          | C001 | C002 | ... |
+                +==========+======+======+=====+
+                | Perylene | 0.1  | 0.0  | ... |
+                +----------+------+------+-----+
+                | Glycine  | 0.5  | 0.34 | ... |
+                +----------+------+------+-----+
+                |   ...    | ...  | ...  | ... |
+                +----------+------+------+-----+
+
+            Output Table Format
+                +----------+-----------+---------+--------+
+                | query    | reference | matches | scores |
+                +==========+===========+=========+========+
+                | C001     | Glycine   |      6  | 0.5    |
+                +----------+-----------+---------+--------+
+                | C002     | Glycine   |     3   | 0.34   |
+                +----------+-----------+---------+--------+
+                |   ...    | ...       | ...     | ...    |
+                +----------+-----------+---------+--------+
+        ]]>
+    </token>
+</macros>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/matchms_similarity.xml	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,151 @@
+<tool id="matchms" name="matchMS similarity" version="@TOOL_VERSION@+galaxy1" python_template_version="3.8">
+    <description>calculate the similarity score and matched peaks</description>
+
+    <macros>
+        <import>macros.xml</import>
+    </macros>
+    <expand macro="creator"/>
+
+    <requirements>
+        <requirement type="package" version="1.1.4">pandas</requirement>
+        <requirement type="package" version="0.55.1">numba</requirement>
+        <requirement type="package" version="@TOOL_VERSION@">matchms</requirement>
+    </requirements>
+
+    <environment_variables>
+        <environment_variable name="MPLCONFIGDIR">/tmp</environment_variable>
+    </environment_variables>
+
+    <command detect_errors="exit_code"><![CDATA[
+        sh ${matchms_python_cli}
+    ]]> </command>
+
+    <configfiles>
+        <configfile name="matchms_python_cli">
+            python3 ${__tool_directory__}/matchms_similarity_wrapper.py \
+            #if $ri_filtering.is_true
+            -r $ri_filtering.tolerance \
+            #end if
+            #if $symmetric.is_symmetric
+            -s \
+            #else
+            --ref "$references" \
+            --ref_format "$references.ext" \
+            #end if
+            "$queries" \
+            "$queries.ext" \
+            "$similarity_metric" \
+            "$algorithm.tolerance" \
+            "$algorithm.mz_power" \
+            "$algorithm.intensity_power" \
+            "$similarity_scores" \
+            "$similarity_matches"
+        </configfile>
+    </configfiles>
+
+    <inputs>
+        <param label="Queries spectra" name="queries" type="data" format="msp,mgf"
+               help="Query mass spectra to match against references."/>
+        <conditional name="symmetric">
+            <param name="is_symmetric" label="Symmetric" type="boolean" truevalue="TRUE" falsevalue="FALSE"
+                   checked="false"/>
+            <when value="FALSE">
+                <param label="Reference spectra" name="references" type="data" format="msp,mgf"
+                       help="Reference mass spectra to match against as library."/>
+            </when>
+        </conditional>
+        <param label="Similarity metric" name="similarity_metric" type="select" display="radio"
+               help="Similarity metric to use for score computation.">
+            <option value="CosineGreedy" selected="true">CosineGreedy</option>
+            <option value="CosineHungarian">CosineHungarian</option>
+            <option value="ModifiedCosine">ModifiedCosine</option>
+        </param>
+
+        <section name="algorithm" title="Algorithm Parameters" expanded="true">
+            <param label="tolerance" name="tolerance" type="float" value="0.1"
+                   help="Peaks will be considered a match when less than tolerance apart. Absolute m/z value, not in ppm."/>
+            <param label="mz_power" name="mz_power" type="float" value="0.0"
+                   help="The power to raise mz to in the cosine function."/>
+            <param label="intensity_power" name="intensity_power" type="float" value="1.0"
+                   help="The power to raise intensity to in the cosine function."/>
+        </section>
+
+        <conditional name="ri_filtering">
+            <param name="is_true" label="Apply RI filtering" type="boolean" truevalue="TRUE" falsevalue="FALSE"
+                   checked="false"/>
+            <when value="TRUE">
+            <param label="tolerance" name="tolerance" type="float" value="60"
+                   help="Peaks will be considered a match when less than tolerance apart."/>
+            </when>
+        </conditional>
+    </inputs>
+
+    <outputs>
+        <data label="$similarity_metric scores of ${on_string}" name="similarity_scores" format="tsv"/>
+        <data label="$similarity_metric matches of ${on_string}" name="similarity_matches" format="tsv"/>
+    </outputs>
+
+    <tests>
+        <test>
+            <param name="references" value="similarity/fill.mgf" ftype="mgf"/>
+            <param name="queries" value="similarity/fill.msp" ftype="msp"/>
+            <param name="similarity_metric" value="CosineGreedy"/>
+            <output name="similarity_scores" file="similarity/scores_test1_out.tsv" ftype="tsv"
+                    checksum="md5$1aff8d0777e2f4e565be2b1b393547ef"/>
+            <output name="similarity_matches" file="similarity/matches_test1_out.tsv" ftype="tsv"
+                    checksum="md5$aab26ef4a0e80a53699832db72c06340"/>
+        </test>
+        <test>
+            <param name="references" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/>
+            <param name="queries" value="similarity/fill.msp" ftype="msp"/>
+            <param name="similarity_metric" value="CosineGreedy"/>
+            <output name="similarity_scores" file="scores_test2_out.tsv" ftype="tsv"
+                    checksum="md5$d2a5a01d9980636ce6a246d68834b84e"/>
+            <output name="similarity_matches" file="matches_test2_out.tsv" ftype="tsv"
+                    checksum="md5$28dc16ce45105234437e53d59e240046"/>
+        </test>
+        <test>
+            <param name="references" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/>
+            <param name="queries" value="similarity/fill.msp" ftype="msp"/>
+            <param name="similarity_metric" value="CosineHungarian"/>
+            <output name="similarity_scores" file="similarity/scores_test3_out.tsv" ftype="tsv"
+                    checksum="md5$1341369778036e0a267ff723f8cfca9c"/>
+            <output name="similarity_matches" file="similarity/matches_test3_out.tsv" ftype="tsv"
+                    checksum="md5$28dc16ce45105234437e53d59e240046"/>
+        </test>
+        <test>
+            <param name="references" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/>
+            <param name="queries" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/>
+            <param name="similarity_metric" value="ModifiedCosine"/>
+            <output name="similarity_scores" file="similarity/scores_test4_out.tsv" ftype="tsv"/>
+            <output name="similarity_matches" file="similarity/matches_test4_out.tsv" ftype="tsv"/>
+        </test>
+        <test>
+            <param name="queries" value="similarity/fill.msp" ftype="msp"/>
+            <param name="similarity_metric" value="CosineHungarian"/>
+            <param name="is_symmetric" value="TRUE"/>
+            <output name="similarity_scores" file="similarity/scores_test5_out.tsv" ftype="tsv"/>
+            <output name="similarity_matches" file="similarity/matches_test5_out.tsv" ftype="tsv"/>
+        </test>
+        <test>
+            <param name="references" value="similarity/recetox_gc-ei_ms_20201028.msp" ftype="msp"/>
+            <param name="queries" value="similarity/fill2.msp" ftype="msp"/>
+            <param name="ri_filtering.is_true" value="TRUE" />
+            <param name="ri_filtering.tolerance" value="60.0" />
+            <param name="similarity_metric" value="CosineGreedy"/>
+            <output name="similarity_scores" file="similarity/scores_test6_out.tsv" ftype="tsv"/>
+            <output name="similarity_matches" file="similarity/matches_test6_out.tsv" ftype="tsv"/>
+        </test>
+    </tests>
+
+    <help>
+        <![CDATA[
+            @HELP_matchms@
+        ]]>
+    </help>
+
+    <citations>
+        <citation type="doi">10.5281/zenodo.4589154</citation>
+        <citation type="doi">10.21105/joss.02411</citation>
+    </citations>
+</tool>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/matchms_similarity_wrapper.py	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,103 @@
+import argparse
+import sys
+
+import numpy as np
+from matchms import calculate_scores
+from matchms.importing import load_from_mgf, load_from_msp
+from matchms.similarity import CosineGreedy, CosineHungarian, MetadataMatch, ModifiedCosine
+from pandas import DataFrame
+
+
+def convert_precursor_mz(spectrum):
+    """
+    Check the presence of precursor m/z since it is needed for ModifiedCosine similarity metric. Convert to float if
+    needed, raise error if missing.
+    """
+
+    if "precursor_mz" in spectrum.metadata:
+        metadata = spectrum.metadata
+        metadata["precursor_mz"] = float(metadata["precursor_mz"])
+        spectrum.metadata = metadata
+        return spectrum
+    else:
+        raise ValueError("Precursor_mz missing. Apply 'add_precursor_mz' filter first.")
+
+
+def main(argv):
+    parser = argparse.ArgumentParser(description="Compute MSP similarity scores")
+    parser.add_argument("-r", dest="ri_tolerance", type=float, help="Use RI filtering with given tolerance.")
+    parser.add_argument("-s", dest="symmetric", action='store_true', help="Computation is symmetric.")
+    parser.add_argument("--ref", dest="references_filename", type=str, help="Path to reference spectra library.")
+    parser.add_argument("--ref_format", dest="references_format", type=str, help="Reference spectra library file format.")
+    parser.add_argument("queries_filename", type=str, help="Path to query spectra.")
+    parser.add_argument("queries_format", type=str, help="Query spectra file format.")
+    parser.add_argument("similarity_metric", type=str, help='Metric to use for matching.')
+    parser.add_argument("tolerance", type=float, help="Tolerance to use for peak matching.")
+    parser.add_argument("mz_power", type=float, help="The power to raise mz to in the cosine function.")
+    parser.add_argument("intensity_power", type=float, help="The power to raise intensity to in the cosine function.")
+    parser.add_argument("output_filename_scores", type=str, help="Path where to store the output .tsv scores.")
+    parser.add_argument("output_filename_matches", type=str, help="Path where to store the output .tsv matches.")
+    args = parser.parse_args()
+
+    if args.queries_format == 'msp':
+        queries_spectra = list(load_from_msp(args.queries_filename))
+    elif args.queries_format == 'mgf':
+        queries_spectra = list(load_from_mgf(args.queries_filename))
+    else:
+        raise ValueError(f'File format {args.queries_format} not supported for query spectra.')
+
+    if args.symmetric:
+        reference_spectra = []
+    else:
+        if args.references_format == 'msp':
+            reference_spectra = list(load_from_msp(args.references_filename))
+        elif args.references_format == 'mgf':
+            reference_spectra = list(load_from_mgf(args.references_filename))
+        else:
+            raise ValueError(f'File format {args.references_format} not supported for reference spectra library.')
+
+    if args.similarity_metric == 'CosineGreedy':
+        similarity_metric = CosineGreedy(args.tolerance, args.mz_power, args.intensity_power)
+    elif args.similarity_metric == 'CosineHungarian':
+        similarity_metric = CosineHungarian(args.tolerance, args.mz_power, args.intensity_power)
+    elif args.similarity_metric == 'ModifiedCosine':
+        similarity_metric = ModifiedCosine(args.tolerance, args.mz_power, args.intensity_power)
+        reference_spectra = list(map(convert_precursor_mz, reference_spectra))
+        queries_spectra = list(map(convert_precursor_mz, queries_spectra))
+    else:
+        return -1
+
+    print("Calculating scores...")
+    scores = calculate_scores(
+        references=queries_spectra if args.symmetric else reference_spectra,
+        queries=queries_spectra,
+        similarity_function=similarity_metric,
+        is_symmetric=args.symmetric
+    )
+
+    if args.ri_tolerance is not None:
+        print("RI filtering with tolerance ", args.ri_tolerance)
+        ri_matches = calculate_scores(reference_spectra, queries_spectra, MetadataMatch("retention_index", "difference", args.ri_tolerance)).scores
+        scores.scores["score"] = np.where(ri_matches, scores.scores["score"], 0.0)
+
+    write_outputs(args, scores)
+    return 0
+
+
+def write_outputs(args, scores):
+    print("Storing outputs...")
+    query_names = [spectra.metadata['compound_name'] for spectra in scores.queries]
+    reference_names = [spectra.metadata['compound_name'] for spectra in scores.references]
+
+    # Write scores to dataframe
+    dataframe_scores = DataFrame(data=[entry["score"] for entry in scores.scores], index=reference_names, columns=query_names)
+    dataframe_scores.to_csv(args.output_filename_scores, sep='\t')
+
+    # Write number of matches to dataframe
+    dataframe_matches = DataFrame(data=[entry["matches"] for entry in scores.scores], index=reference_names, columns=query_names)
+    dataframe_matches.to_csv(args.output_filename_matches, sep='\t')
+
+
+if __name__ == "__main__":
+    main(argv=sys.argv[1:])
+    pass
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/filtering/clean_metadata.msp	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,197 @@
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C001
+RETENTION_TIME: 38.74
+RETENTION_INDEX: None
+NUM PEAKS: 57
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+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C002
+RETENTION_TIME: 520.25
+RETENTION_INDEX: 1234.5
+NUM PEAKS: 35
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+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C003
+RETENTION_TIME: 483.67
+RETENTION_INDEX: None
+NUM PEAKS: 26
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+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C004
+RETENTION_TIME: 473.48
+RETENTION_INDEX: None
+NUM PEAKS: 24
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+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C005
+RETENTION_TIME: 41.72
+RETENTION_INDEX: None
+NUM PEAKS: 20
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/filtering/default_filters.msp	Tue Mar 22 16:07:32 2022 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/filtering/input.msp	Tue Mar 22 16:07:32 2022 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/filtering/mz_range.msp	Tue Mar 22 16:07:32 2022 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/filtering/normalise_intensities.msp	Tue Mar 22 16:07:32 2022 +0000
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+378.2093    0.0037436610481220017
+379.1966    0.0007096996877780199
+522.3565    1.0
+523.354     0.29384865685493955
+549.3267    0.015478600450010918
+576.2749    0.0018060599048590942
+577.3074    0.0005756721239330571
+617.2778    0.0005681454143142512
+625.4543    0.0009879705613649104
+796.9808    0.0033198455052339984
+797.9841    0.0015573701420036753
+809.9883    0.0030801977705220513
+810.9916    0.0016141198844341264
+1043.7028   0.035297475152995465
+1044.7068   0.020362011126266247
+1045.706    0.0068462763386867055
+1046.7131   0.0015906756058816994
+1058.1594   0.00506614361447774
+1059.1626   0.0016160049240511426
+1071.1639   0.0037806052815603864
+1072.1671   0.0012462539997079428
+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C004
+RETENTION_TIME: 473.48
+NUM PEAKS: 24
+124.1405    0.0005181964913289414
+170.2437    9.837442556482469e-05
+275.6336    0.002226328996889195
+296.147     0.015137694616192635
+482.3247    0.011589847063758851
+483.3283    0.00288178272643532
+496.34      1.0
+497.3442    0.2653231515567137
+498.3462    0.04232013408533278
+499.3493    0.005420441717160338
+770.964     0.003915707588825487
+771.9675    0.0018021637295703144
+783.9721    0.0007822882222085712
+784.9749    0.0002880447335267696
+949.6233    0.0006367701791743273
+950.6274    0.00029216205711611197
+991.6726    0.11294353509394345
+992.6749    0.06067284320350776
+993.6787    0.01901492598860482
+994.6801    0.004257539105397458
+1017.6897   0.013371955835345416
+1018.6656   0.00958844553208827
+1019.6555   0.004583362385803359
+1020.6591   0.0009913747329363162
+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C005
+RETENTION_TIME: 41.72
+NUM PEAKS: 20
+218.1386    0.15798873862212878
+337.0623    1.0
+338.0654    0.09890394032518758
+353.0361    0.4179579198062785
+359.0443    0.5462303157441691
+360.0459    0.0566706776455141
+375.018     0.3288449119592981
+376.0216    0.03090241565776916
+381.0261    0.15250232222627247
+396.9999    0.1163570494660839
+417.0027    0.1558882553976487
+418.9966    0.049466444781898614
+432.9764    0.11028677643551825
+438.9851    0.12751548668671656
+440.9796    0.037939268467062706
+454.9592    0.11074974998154162
+456.9603    0.042570661713847026
+470.9263    0.04096521385282981
+512.8989    0.04592824335196862
+572.871     0.03930742730214083
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/filtering/relative_intensity.msp	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,51 @@
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C001
+RETENTION_TIME: 38.74
+RETENTION_INDEX: None
+NUM PEAKS: 16
+138.9121    10186226.0
+175.0641    26780143.0
+196.8658    21390430.0
+198.8647    21688594.0
+206.9034    26130980.0
+254.8252    23747536.0
+258.8237    15532799.0
+266.8652    9805546.0
+312.7841    10051801.0
+316.7777    10734168.0
+372.7383    19374863.0
+382.8218    12815572.0
+392.7685    10913351.0
+434.7287    9943329.0
+440.7322    10603010.0
+488.6825    12267966.0
+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C002
+RETENTION_TIME: 520.25
+RETENTION_INDEX: 1234.5
+NUM PEAKS: 0
+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C003
+RETENTION_TIME: 483.67
+NUM PEAKS: 0
+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C004
+RETENTION_TIME: 473.48
+NUM PEAKS: 0
+
+IONMODE: negative
+SPECTRUMTYPE: Centroid
+COMPOUND_NAME: C005
+RETENTION_TIME: 41.72
+NUM PEAKS: 3
+353.0361    37061354.0
+359.0443    48435582.0
+375.018     29159485.0
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/formatter/test2_threshold_formatting.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,19 @@
+query	reference	matches	score
+C007	Benzo[b]naphtho[2,1-d]thiophene	3	0.4302304171927885
+C023	Butylated hydroxytoluene	3	0.4899347755610658
+C016	Drometrizole	3	0.5535081364244014
+C040	Deltamethrin	4	0.5995685829585914
+C040	cis-Cypermethrin_isomer1	3	0.7514936043388737
+C040	cis-Cypermethrin_isomer2	3	0.6205879323732599
+C043	Carbofuran phenol	3	0.5173781620618291
+C023	Alachlor	4	0.4289634841639738
+C012	Chlorpyrifos	3	0.43976068904478827
+C016	Atrazine	5	0.4399647084473271
+C029	Metolachlor	3	0.8624580271763471
+C073	Praziquantel	3	0.6840766738581763
+C034	Carbaryl	3	0.4781026376526427
+C043	Carbofuran	3	0.5212598550187718
+C013	Indoxacarb	5	0.4827488304818007
+C073	Oxadixyl	4	0.7910256109540179
+C073	Amitraz	4	0.5270236660009217
+C008	Spirotetramat	5	0.40641914075077024
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/formatter/test2_topk_formatting.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,523 @@
+query	reference	matches	score
+C001	Chlorpyrifos	7	0.2439698460078672
+C001	trans-Chlordane	10	0.1709889053423956
+C001	cis-Chlordane	10	0.16934374734008048
+C002	Carfentrazone-ethyl	1	0.023438813553203555
+C002	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	2	0.012935401162453864
+C002	Pyridaben	4	0.011168624908917228
+C003	Perylene_2H12	2	0.0005256270959446041
+C003	Metalaxyl	1	1.7567415612900304e-06
+C003	Perylene	0	0.0
+C004	17-alpha-Ethynylestradiol	2	0.002716713573623163
+C004	Coronene	1	0.0009680981940665212
+C004	Progesterone	2	0.0007924296222333303
+C005	Tetraconazole	3	0.12154746411094572
+C005	Sulfentrazone	1	0.05393598836706972
+C005	Indoxacarb	1	0.0441412960627566
+C006	Tris(4-tert-butylphenyl) phosphate	2	0.12426514943875827
+C006	Perylene_2H12	0	0.0
+C006	Perylene	0	0.0
+C007	Benzo[b]naphtho[2,1-d]thiophene	3	0.4302304171927885
+C007	2-Chlorobiphenyl	2	0.30327152545734354
+C007	Retene	3	0.16318259462298138
+C008	Spirotetramat	5	0.40641914075077024
+C008	Ethofumesate	4	0.17576877383827938
+C008	2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	3	0.1419543758042326
+C009	Picoxystrobin	1	0.0006870380110630028
+C009	Tris(isopropylphenyl)phosphate	1	0.00023550942343171069
+C009	Tebufenpyrad	1	0.00017257075992195458
+C010	cis-Permethrin	1	0.008724226797557697
+C010	trans-Permethrin	1	0.008418860878033153
+C010	cis-Phenothrin	1	0.005882714253167312
+C011	Fuberidazole	1	0.2308319926807784
+C011	Prometryn	2	0.1773186209832549
+C011	Benzoximate	1	0.07676637011355666
+C012	Chlorpyrifos	3	0.43976068904478827
+C012	Terbufos	1	0.4006683041096004
+C012	2,6-Dichloro-4-nitroaniline	1	0.20998341159494333
+C013	Indoxacarb	5	0.4827488304818007
+C013	Temephos	2	0.32810153796559577
+C013	Nuarimol	2	0.2936210041931014
+C014	Chlorferone	1	0.5119124308782732
+C014	Piperonyl butoxide	1	0.4857177881241794
+C014	2,6-Dichloro-4-nitroaniline	2	0.33898957004708385
+C015	Metazachlor	1	0.0011434403294572687
+C015	alpha-Amylcinnamyl alcohol	1	0.0005805859933790689
+C015	Pendimethalin	1	0.0005015386924657569
+C016	Drometrizole	3	0.5535081364244014
+C016	Acenaphthylene	2	0.540073031173669
+C016	Atrazine	5	0.4399647084473271
+C017	4-tert-Octylphenol	1	0.9088788152148044
+C017	Propargite_isomer2	1	0.8953233485170952
+C017	Propargite_isomer1	1	0.8942159049307404
+C018	Tris(4-tert-butylphenyl) phosphate	1	0.189695375366971
+C018	Perylene_2H12	0	0.0
+C018	Perylene	0	0.0
+C019	Triclosan	1	0.13434903881343435
+C019	Terbufos	1	0.08080384965580391
+C019	Epoxiconazole	2	0.07313225916488224
+C020	Tris(isopropylphenyl)phosphate	2	0.2520159660977677
+C020	Amitraz	2	0.1245102870796828
+C020	Metribuzin	1	0.05224979683560159
+C021	Tebuthiuron	2	0.9340205348244696
+C021	1,5-Dimethylnaphthalene	1	0.6803608761410861
+C021	2,6-Dimethylnaphthalene	1	0.6264160291669295
+C022	2-Bromoallyl(2,4,6-tribromophenyl) ether	1	0.11311229152083695
+C022	2,3,4,5,6-Pentabromobenzyl alcohol	2	0.07003350703850979
+C022	Allyl 2,4,6-tribromophenyl ether	1	0.06571493640420596
+C023	Phenanthrene_2H10	1	0.7408591267092633
+C023	2-Chlorobiphenyl	1	0.6159214014775711
+C023	Butylated hydroxytoluene	3	0.4899347755610658
+C024	Mepronil	2	0.18000248105004787
+C024	Spirotetramat	8	0.17523909122675907
+C024	Estrone	7	0.17146514923780354
+C025	Tris(4-tert-butylphenyl) phosphate	2	0.2957673370199089
+C025	Perylene_2H12	0	0.0
+C025	Perylene	0	0.0
+C026	Isodecyl diphenyl phosphate	2	0.4122773057565717
+C026	Dicofol	1	0.32235849897575225
+C026	Tris(isopropylphenyl)phosphate	2	0.18207675907106227
+C027	Fenobucarb	1	0.058048257187677615
+C027	Isoprocarb	1	0.056638368345330564
+C027	Dioxacarb	1	0.041723437047250914
+C028	Phosmet	1	0.7848313885767587
+C028	Alachlor	1	0.5400260886224933
+C028	Butafenacil	2	0.5287006460619553
+C029	Metolachlor	3	0.8624580271763471
+C029	Safrole	2	0.591167446764124
+C029	Amitraz	2	0.4100617029164697
+C030	Ethofumesate	2	0.1283368182166788
+C030	Iprovalicarb isomer 1	1	0.1278518291141877
+C030	Acephate	4	0.12723099231343524
+C031	Progesterone	1	1.6426994248357488e-05
+C031	17-beta-Estradiol	1	8.491318225734283e-06
+C031	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	1	5.164951992800528e-06
+C032	Perylene_2H12	0	0.0
+C032	Perylene	0	0.0
+C032	Phenanthrene_2H10	0	0.0
+C033	Oxadixyl	3	0.20330295530386605
+C033	Aminocarb	2	0.19494213484153544
+C033	Propham	4	0.16613167591921482
+C034	Pirimicarb	2	0.6282572820905313
+C034	Carbaryl	3	0.4781026376526427
+C034	Bifenthrin	3	0.3937324127463854
+C035	Isocarbophos	1	0.253114274939826
+C035	Tris(2-butoxyethyl) phosphate	1	0.08190774313427894
+C035	Fenhexamid	1	0.05085970884113621
+C036	2,3,4,5,6-Pentabromobenzyl alcohol	4	0.18423443680035376
+C036	2,3,4,5,6-Pentabromotoluene	1	0.1350710579626696
+C036	2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	2	0.0796114917141898
+C037	1-Methylphenanthrene	1	0.5459366395303993
+C037	Rotenone	1	0.4570036381038024
+C037	Tris(1,3-dichloro-2-propyl)phosphate	2	0.412163952235192
+C038	Boscalid	2	0.14075752965499524
+C038	Triclosan	1	0.08733871677757317
+C038	Indoxacarb	3	0.08698367543114087
+C039	4-Methoxybenzyl alcohol	1	0.03981836906328797
+C039	Progesterone	2	0.03613897694723208
+C039	Praziquantel	2	0.0352727221936598
+C040	cis-Cypermethrin_isomer1	3	0.7514936043388737
+C040	lambda-Cyhalothrin	1	0.7233092401070119
+C040	Fenpropathrin	1	0.7211467981004154
+C041	Perylene_2H12	0	0.0
+C041	Perylene	0	0.0
+C041	Phenanthrene_2H10	0	0.0
+C042	Perylene_2H12	0	0.0
+C042	Perylene	0	0.0
+C042	Phenanthrene_2H10	0	0.0
+C043	Carbofuran	3	0.5212598550187718
+C043	Carbofuran phenol	3	0.5173781620618291
+C043	Eugenol	3	0.2822612161029908
+C044	Tris(isopropylphenyl)phosphate	3	0.012366572371392014
+C044	Perylene_2H12	0	0.0
+C044	Perylene	0	0.0
+C045	Retene	2	0.37472668579836427
+C045	Etoxazole	2	0.2992332390137346
+C045	Picoxystrobin	1	0.12900223412955678
+C046	Perylene_2H12	0	0.0
+C046	Perylene	0	0.0
+C046	Phenanthrene_2H10	0	0.0
+C047	Perylene_2H12	0	0.0
+C047	Perylene	0	0.0
+C047	Phenanthrene_2H10	0	0.0
+C048	Perylene_2H12	0	0.0
+C048	Perylene	0	0.0
+C048	Phenanthrene_2H10	0	0.0
+C049	Perylene_2H12	0	0.0
+C049	Perylene	0	0.0
+C049	Phenanthrene_2H10	0	0.0
+C050	Picoxystrobin	2	0.3476899781242624
+C050	Tris(isopropylphenyl)phosphate	3	0.11995167595915295
+C050	Tebufenpyrad	2	0.08745999178934981
+C051	Perylene_2H12	0	0.0
+C051	Perylene	0	0.0
+C051	Phenanthrene_2H10	0	0.0
+C052	2,4',5-Trichlorobiphenyl	1	0.08935905370069537
+C052	2,4,4'-Trichlorobiphenyl	1	0.08866441298661976
+C052	2,4,6-Trichlorobiphenyl	1	0.08544380268109059
+C053	Perylene_2H12	0	0.0
+C053	Perylene	0	0.0
+C053	Phenanthrene_2H10	0	0.0
+C054	Transfluthrin	2	0.13361631824397593
+C054	Furathiocarb	1	0.08671877819276054
+C054	Cashmeran	1	0.06426615333868092
+C055	Bendiocarb	1	0.6309098067559973
+C055	Flufenacet	1	0.3672428373906641
+C055	Benalaxyl	1	0.30099176302428066
+C056	Bumetrizole	3	0.2310571211221721
+C056	Nuarimol	3	0.0668892328802477
+C056	4,4'-Dichlorodiphenyltrichloroethane	2	0.05363591603172288
+C057	Epoxiconazole	1	0.2557235415238599
+C057	4-Methoxybenzyl alcohol	1	0.22400850075479772
+C057	Terbutylazine	1	0.15145436344404262
+C058	Pyriproxyfen	1	0.9646591095006894
+C058	Methabenzthiazuron	1	0.753392328415398
+C058	Isocarbophos	1	0.7498262995321581
+C059	trans-Cypermethrin_isomer2	3	0.23465718947694245
+C059	Endrin ketone	2	0.17942583152569735
+C059	Metazachlor	2	0.1785461486989555
+C060	Perylene_2H12	0	0.0
+C060	Perylene	0	0.0
+C060	Phenanthrene_2H10	0	0.0
+C061	Perylene_2H12	2	0.1457986453664692
+C061	Metalaxyl	1	0.0006991971592894273
+C061	Perylene	0	0.0
+C062	17-beta-Estradiol	1	0.15783621850779087
+C062	Spiromesifen	2	0.13030188230328554
+C062	Progesterone	2	0.06835446607134321
+C063	Perylene_2H12	0	0.0
+C063	Perylene	0	0.0
+C063	Phenanthrene_2H10	0	0.0
+C064	Carfentrazone-ethyl	1	0.018943190348287533
+C064	Etoxazole	1	0.01578012304582602
+C064	Fenarimol	1	0.0036543976867372935
+C065	7,12-Dimethylbenz[a]anthracene	1	0.17462314825429734
+C065	Methoprotryne	1	0.1541290796409836
+C065	Metolachlor	1	0.12033850422276846
+C066	Perylene_2H12	0	0.0
+C066	Perylene	0	0.0
+C066	Phenanthrene_2H10	0	0.0
+C067	Hexabromobenzene	2	0.010672289636345755
+C067	Perylene_2H12	0	0.0
+C067	Perylene	0	0.0
+C068	Praziquantel	2	0.07958135980319712
+C068	Etoxazole	2	0.02619650835001873
+C068	Azoxystrobin	1	0.004663281915415839
+C069	Butafenacil	1	0.18850830869714846
+C069	Triphenyl phosphate	2	0.055216197560571764
+C069	Azoxystrobin	3	0.03934912357968432
+C070	Perylene_2H12	0	0.0
+C070	Perylene	0	0.0
+C070	Phenanthrene_2H10	0	0.0
+C071	Etoxazole	3	0.05922738876187074
+C071	Furathiocarb	1	0.05008802283663697
+C071	Spirotetramat	3	0.04292074803284585
+C072	Etoxazole	2	0.06835099807872327
+C072	Bifenazate	1	0.045443092067712736
+C072	Spirotetramat	1	0.0385534674496247
+C073	Pyraclostrobin	2	0.9535041271837356
+C073	Oxadixyl	4	0.7910256109540179
+C073	Praziquantel	3	0.6840766738581763
+C074	Fipronil	3	0.3044635926132772
+C074	Ethiprole	3	0.2922055976674368
+C074	Cyazofamid	1	0.06428948725728051
+C075	Terbufos	1	0.5400938382277265
+C075	Ethiofencarb	1	0.2523948105669581
+C075	1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	1	0.12971824728657946
+C076	Flutolanil	1	0.8485967987285207
+C076	Bromuconazole_isomer2	2	0.7127828451721377
+C076	Bromuconazole_isomer1	2	0.6877025703463038
+C077	Perylene_2H12	0	0.0
+C077	Perylene	0	0.0
+C077	Phenanthrene_2H10	0	0.0
+C078	Bupirimate	1	0.13974657683168296
+C078	Etoxazole	2	0.0169753161495105
+C078	Progesterone	1	0.0038398141926578064
+C079	Spirotetramat	2	0.1882344422583304
+C079	Progesterone	2	0.16023981186600048
+C079	Etoxazole	2	0.057812695018331514
+C080	Diethofencarb	2	0.511845636769791
+C080	Prometon	2	0.300031218332216
+C080	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	2	0.12064211458558788
+C081	Estrone	1	0.11703644068228687
+C081	Spirotetramat	3	0.07313605416641866
+C081	Benzofluoranthene	1	0.05389100883827439
+C082	Perylene_2H12	0	0.0
+C082	Perylene	0	0.0
+C082	Phenanthrene_2H10	0	0.0
+C083	Ethofumesate	1	0.043480931832514336
+C083	Benalaxyl	1	0.008158199350569542
+C083	Tris(3,5-xylenyl)phosphate	1	0.004816230209514116
+C084	Perylene_2H12	0	0.0
+C084	Perylene	0	0.0
+C084	Phenanthrene_2H10	0	0.0
+C085	Perylene_2H12	0	0.0
+C085	Perylene	0	0.0
+C085	Phenanthrene_2H10	0	0.0
+C086	Spirotetramat	1	0.08487887164972997
+C086	Phantolide	1	0.07672750046561576
+C086	Celestolide	1	0.0670424465060362
+C087	2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	1	0.0023188635945688304
+C087	Perylene_2H12	0	0.0
+C087	Perylene	0	0.0
+C088	Sulfentrazone	1	0.34010281957807026
+C088	Ethiprole	2	0.07806706863464179
+C088	Fipronil	1	0.05064949095675088
+C089	Estrone	2	0.11242430338327276
+C089	17-beta-Estradiol	2	0.11103518523395653
+C089	17-alpha-Ethynylestradiol	2	0.07960933211421765
+C090	Safrole	1	0.30173468935347697
+C090	Buprofezin	1	0.26111202665989397
+C090	1,4-Naphthoquinone	1	0.2374499719747145
+C091	Acephate	1	0.3895204858101274
+C091	4-Methoxybenzyl alcohol	2	0.3316368489450632
+C091	Limonene	1	0.31504473007440903
+C092	Triticonazole	3	0.16885819011116895
+C092	cis-Cypermethrin_isomer1	2	0.09179449317000099
+C092	cis-Cypermethrin_isomer2	2	0.08307720063117018
+C093	Acenaphthene	1	0.3550344475361788
+C093	Spirotetramat	2	0.35440311073510106
+C093	Methiocarb	1	0.22669489487832103
+C094	Azoxystrobin	2	0.0867021742419802
+C094	Boscalid	2	0.04111792442550393
+C094	Carfentrazone-ethyl	2	0.03748072093357795
+C095	Triclosan	1	0.4569843475650367
+C095	2,2',4,4',5,5'-Hexachlorobiphenyl	1	0.30890539007051365
+C095	2,2',3,4,4',5'-Hexachlorobiphenyl	1	0.3001391366557777
+C096	Chlorpyrifos oxon	2	0.4951348549387391
+C096	Endosulfan	2	0.10681348861365984
+C096	Chlorpyrifos	1	0.08773935144928954
+C097	Triadimenol_isomer1	1	0.6530903778998592
+C097	Triadimenol_isomer2	1	0.6220057644083183
+C097	Boscalid	1	0.24681643339242704
+C098	Tebufenpyrad	2	0.151238320380335
+C098	Chlorpyrifos	1	0.10699966329717307
+C098	Spirodiclofen	1	0.06417906482782681
+C099	Testosterone	1	0.11646566920503162
+C099	Butylated hydroxytoluene	1	0.04673587562152655
+C099	17-alpha-Ethynylestradiol	1	0.037457533457306916
+C100	Perylene_2H12	0	0.0
+C100	Perylene	0	0.0
+C100	Phenanthrene_2H10	0	0.0
+C101	Perylene_2H12	0	0.0
+C101	Perylene	0	0.0
+C101	Phenanthrene_2H10	0	0.0
+C102	Triticonazole	2	0.5336996347532538
+C102	Carboxin	3	0.3659524855319685
+C102	Paclobutrazol	1	0.2268834812634395
+C103	Perylene_2H12	1	0.06707997408159612
+C103	17-alpha-Ethynylestradiol	1	0.018682328889378926
+C103	Progesterone	1	0.01295087988307018
+C104	Estrone	1	0.004077028550281328
+C104	Testosterone	1	0.0031342530947578136
+C104	Spiromesifen	1	0.002757914839881182
+C105	Pyridaben	1	0.006150557887796118
+C105	Perylene_2H12	0	0.0
+C105	Perylene	0	0.0
+C106	Testosterone	1	0.15489171142643712
+C106	Etoxazole	1	0.016352928684328513
+C106	Spirotetramat	1	0.0062904645069006395
+C107	Perylene_2H12	0	0.0
+C107	Perylene	0	0.0
+C107	Phenanthrene_2H10	0	0.0
+C108	Spiromesifen	1	0.020951237553340774
+C108	17-beta-Estradiol	1	0.013392022272573741
+C108	Testosterone	1	0.013048242174815913
+C109	Bumetrizole	1	0.0017496917647964528
+C109	cis-Cypermethrin_isomer2	1	0.0013562725531987426
+C109	Perylene_2H12	0	0.0
+C110	Tris(isopropylphenyl)phosphate	1	0.014005356003130229
+C110	Perylene_2H12	0	0.0
+C110	Perylene	0	0.0
+C111	Perylene_2H12	0	0.0
+C111	Perylene	0	0.0
+C111	Phenanthrene_2H10	0	0.0
+C112	Acephate	1	0.003432198616120097
+C112	2,3,4,5,6-Pentabromobenzyl alcohol	1	0.0010556194775620822
+C112	Perylene_2H12	0	0.0
+C113	Spirotetramat	1	0.09923582187652268
+C113	Fenamidone	1	0.04349532389192298
+C113	Tri-m-cresyl phosphate	1	0.03446113009328269
+C114	2,2',3,5,5',6-Hexachlorobiphenyl	1	0.007142459164134815
+C114	cis-Heptachlor epoxide	1	0.006496649197557233
+C114	2,2',3,4,5,5'-Hexachlorobiphenyl	1	0.0064322479247378925
+C115	7,12-Dimethylbenz[a]anthracene	1	0.33353495402905736
+C115	Enzacamene	1	0.16429960277928815
+C115	Spirodiclofen	1	0.09200841804501496
+C116	Phantolide	1	0.6765447886087635
+C116	Celestolide	1	0.5855305782559419
+C116	Progesterone	2	0.27148697274385963
+C117	Tefluthrin	1	0.2383451182372184
+C117	Fenhexamid	1	0.13194163406015644
+C117	Butylated hydroxytoluene	1	0.07956712732379319
+C118	Perylene_2H12	0	0.0
+C118	Perylene	0	0.0
+C118	Phenanthrene_2H10	0	0.0
+C119	Difenoconazole_isomer2	1	0.43317358996336186
+C119	Difenoconazole_isomer1	1	0.3935774707401791
+C119	Hydroxychrysene	1	0.20696032716784896
+C120	1,4-Naphthoquinone	1	0.31792806800860685
+C120	Praziquantel	1	0.3024801127581045
+C120	alpha-Amylcinnamyl alcohol	1	0.2293394517123256
+C121	2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	2	0.16503091278673038
+C121	Octachlorodibenzo-p-dioxin	1	0.018991433893482
+C121	Perylene_2H12	0	0.0
+C122	Testosterone	2	0.13014922112429486
+C122	Tris(4-tert-butylphenyl) phosphate	1	0.06438796272159912
+C122	Metconazole	1	0.04286615974011067
+C123	Indoxacarb	1	0.5045532698301611
+C123	Myclobutanil	2	0.3553554295702141
+C123	2,2',5-Trichlorobiphenyl	1	0.17187616901661615
+C124	Pyridaben	1	0.7076048326997509
+C124	Phantolide	1	0.6025849351431068
+C124	Celestolide	1	0.521520395195447
+C125	2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	2	0.24826009298596555
+C125	Endosulfan	1	0.2465672514103301
+C125	2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	1	0.23748098935395204
+C126	Boscalid	2	0.7849854997021458
+C126	Hydroxyfluoren-9-one	2	0.16146903540814592
+C126	Epoxiconazole	2	0.11431527796038154
+C127	Chlorpyrifos oxon	1	0.06370988970438786
+C127	1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin	1	0.048343740279893965
+C127	Chlorpyrifos	2	0.0473928411630094
+C128	Spirotetramat	2	0.4099600979476956
+C128	Etoxazole	2	0.03295371156467606
+C128	Progesterone	1	0.005491138035803362
+C129	Perylene_2H12	0	0.0
+C129	Perylene	0	0.0
+C129	Phenanthrene_2H10	0	0.0
+C130	Diclobutrazol	1	0.12259983041141136
+C130	Diniconazole	1	0.08810828784278397
+C130	Chlorpyrifos oxon	1	0.07067495979790965
+C131	Boscalid	2	0.4723517552315655
+C131	Eucalyptol	1	0.19453052989021216
+C131	beta-Hexachlorocyclohexane	1	0.12103059672461725
+C132	Prometryn	1	0.4995639250817017
+C132	7,12-Dimethylbenz[a]anthracene	1	0.465485129235019
+C132	Terbutryn	1	0.12610906960127524
+C133	Dimethachlor	2	0.9046302361414544
+C133	Iprovalicarb isomer 2	2	0.6209087338629522
+C133	Iprovalicarb isomer 1	2	0.61567879697979
+C134	Coumarin	1	0.7242097228435042
+C134	Tris(isopropylphenyl)phosphate	1	0.491895103368642
+C134	Spiroxamine_isomer1	1	0.31211135864989265
+C135	Coumarin	1	0.17743527097036982
+C135	Monolinuron	1	0.14421645838849775
+C135	Metobromuron	1	0.10115722181602198
+C136	Pyracarbolid	1	0.8115583661696311
+C136	Metconazole	1	0.6457097667608181
+C136	trans-Fenvalerate	1	0.6398503673797634
+C137	Perylene_2H12	0	0.0
+C137	Perylene	0	0.0
+C137	Phenanthrene_2H10	0	0.0
+C138	Perylene_2H12	0	0.0
+C138	Perylene	0	0.0
+C138	Phenanthrene_2H10	0	0.0
+C139	Perylene_2H12	0	0.0
+C139	Perylene	0	0.0
+C139	Phenanthrene_2H10	0	0.0
+C140	Rotenone	1	0.0015990284859575886
+C140	Perylene_2H12	0	0.0
+C140	Perylene	0	0.0
+C141	Tebufenpyrad	2	0.2938100129854653
+C141	Tris(isopropylphenyl)phosphate	2	0.020202034111700597
+C141	Ipconazole	1	0.017041584156450424
+C142	Perylene_2H12	0	0.0
+C142	Perylene	0	0.0
+C142	Phenanthrene_2H10	0	0.0
+C143	Dimethomorph_isomer2	1	0.16685279162562694
+C143	Dimethomorph _isomer1	1	0.16482807037456434
+C143	2,3,4,5,6-Pentabromotoluene	1	0.032682863992618404
+C144	Etoxazole	2	0.1027909809180103
+C144	2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	2	0.04732776045289416
+C144	Azoxystrobin	2	0.035630773587232864
+C145	Perylene_2H12	0	0.0
+C145	Perylene	0	0.0
+C145	Phenanthrene_2H10	0	0.0
+C146	Propargite_isomer1	1	0.0633083562823998
+C146	Propargite_isomer2	1	0.05654738208679003
+C146	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	1	0.035712333462604294
+C147	2,2',3,4,4',5',6-Heptabromodiphenyl ether	1	0.03047378825096018
+C147	Chlorferone	1	0.01855122445019196
+C147	Progesterone	2	0.007867919703105094
+C148	Buprofezin	1	0.01875857752389424
+C148	Perylene_2H12	0	0.0
+C148	Perylene	0	0.0
+C149	Metalaxyl	2	0.29742589743178666
+C149	1,4-Naphthoquinone	1	0.2740480911849054
+C149	Praziquantel	1	0.260732240603901
+C150	trans-Prallethrin	1	0.00633664692361121
+C150	Perylene_2H12	0	0.0
+C150	Perylene	0	0.0
+C151	Spirotetramat	1	0.011452966094891676
+C151	Perylene_2H12	0	0.0
+C151	Perylene	0	0.0
+C152	Tris(3,5-xylenyl)phosphate	1	0.05756111981021594
+C152	Tris(isopropylphenyl)phosphate	1	0.0449470954588726
+C152	Perylene_2H12	0	0.0
+C153	Ethiofencarb	1	0.8284613374855048
+C153	1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	1	0.4257874890609336
+C153	Isomethyl-alpha-ionone	1	0.36103138237616267
+C154	7,12-Dimethylbenz[a]anthracene	1	0.29226381053937395
+C154	Enzacamene	1	0.14396940230197552
+C154	Triflumizole	1	0.10858411907186044
+C155	Perylene_2H12	0	0.0
+C155	Perylene	0	0.0
+C155	Phenanthrene_2H10	0	0.0
+C156	7,12-Dimethylbenz[a]anthracene	1	0.08248293081186396
+C156	Methoprotryne	1	0.0432082364937662
+C156	Progesterone	1	0.02316539180928352
+C157	Perylene_2H12	0	0.0
+C157	Perylene	0	0.0
+C157	Phenanthrene_2H10	0	0.0
+C158	Tris(4-tert-butylphenyl) phosphate	1	0.012341356867974116
+C158	Perylene_2H12	0	0.0
+C158	Perylene	0	0.0
+C159	Trifluralin	1	0.1883562158254524
+C159	Fenpropathrin	1	0.015975881134824614
+C159	Ethiprole	1	0.007596489095240584
+C160	Bumetrizole	1	0.04337092323628775
+C160	trans-Cypermethrin_isomer2	1	0.030241071137562938
+C160	Perylene_2H12	1	0.029465908012253836
+C161	Perylene_2H12	0	0.0
+C161	Perylene	0	0.0
+C161	Phenanthrene_2H10	0	0.0
+C162	Perylene_2H12	0	0.0
+C162	Perylene	0	0.0
+C162	Phenanthrene_2H10	0	0.0
+C163	Perylene_2H12	0	0.0
+C163	Perylene	0	0.0
+C163	Phenanthrene_2H10	0	0.0
+C164	7,12-Dimethylbenz[a]anthracene	1	0.2284760273276565
+C164	Enzacamene	1	0.112547485896346
+C164	Fenamidone	1	0.0486288864876461
+C165	Boscalid	1	0.08498662209290331
+C165	Buprofezin	1	0.08205704595848827
+C165	Ipconazole	1	0.08152620214218925
+C166	Tris(2-butoxyethyl) phosphate	1	0.008342150525801997
+C166	Rotenone	1	0.0015006556689027325
+C166	Perylene_2H12	0	0.0
+C167	Perylene_2H12	0	0.0
+C167	Perylene	0	0.0
+C167	Phenanthrene_2H10	0	0.0
+C168	Perylene_2H12	0	0.0
+C168	Perylene	0	0.0
+C168	Phenanthrene_2H10	0	0.0
+C169	Perylene_2H12	0	0.0
+C169	Perylene	0	0.0
+C169	Phenanthrene_2H10	0	0.0
+C170	Perylene_2H12	0	0.0
+C170	Perylene	0	0.0
+C170	Phenanthrene_2H10	0	0.0
+C171	2,4-D butyl ester	1	0.6610587362108564
+C171	Terbutryn	1	0.6012657870951452
+C171	Estrone	2	0.31623371975319553
+C172	Perylene_2H12	1	0.06765194944236241
+C172	17-alpha-Ethynylestradiol	1	0.01884162876915315
+C172	Progesterone	1	0.01306130902820296
+C173	Spiromesifen	1	0.016586079079264453
+C173	Rotenone	1	0.0025109428261963678
+C173	Perylene_2H12	0	0.0
+C174	Perylene_2H12	0	0.0
+C174	Perylene	0	0.0
+C174	Phenanthrene_2H10	0	0.0
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/matches_test2_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,387 @@
+	C001	C002	C003	C004	C005	C006	C007	C008	C009	C010	C011	C012	C013	C014	C015	C016	C017	C018	C019	C020	C021	C022	C023	C024	C025	C026	C027	C028	C029	C030	C031	C032	C033	C034	C035	C036	C037	C038	C039	C040	C041	C042	C043	C044	C045	C046	C047	C048	C049	C050	C051	C052	C053	C054	C055	C056	C057	C058	C059	C060	C061	C062	C063	C064	C065	C066	C067	C068	C069	C070	C071	C072	C073	C074	C075	C076	C077	C078	C079	C080	C081	C082	C083	C084	C085	C086	C087	C088	C089	C090	C091	C092	C093	C094	C095	C096	C097	C098	C099	C100	C101	C102	C103	C104	C105	C106	C107	C108	C109	C110	C111	C112	C113	C114	C115	C116	C117	C118	C119	C120	C121	C122	C123	C124	C125	C126	C127	C128	C129	C130	C131	C132	C133	C134	C135	C136	C137	C138	C139	C140	C141	C142	C143	C144	C145	C146	C147	C148	C149	C150	C151	C152	C153	C154	C155	C156	C157	C158	C159	C160	C161	C162	C163	C164	C165	C166	C167	C168	C169	C170	C171	C172	C173	C174
+Perylene_2H12	0	0	2	0	1	0	0	1	0	0	0	0	2	0	0	3	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0
+Perylene	0	0	0	0	0	0	0	0	0	0	1	0	3	0	0	1	1	0	0	0	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Coronene	2	1	0	1	0	0	1	0	0	0	0	0	1	1	0	1	2	0	1	1	1	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	1	0	1	2	0	0	0	2	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Dicofol	3	0	0	0	2	0	1	0	0	0	0	0	2	1	1	2	1	0	0	0	1	0	0	1	0	1	1	0	1	2	0	0	2	1	0	0	1	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Benzophenone	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	3	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2-tert-Butyl-4-methoxyphenol	0	1	0	1	0	0	0	1	0	0	1	0	1	0	1	2	1	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	3	3	0	0	1	1	1	1	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Butylated hydroxytoluene	0	1	0	0	0	0	1	1	0	0	0	0	0	0	1	2	1	0	0	0	0	0	3	0	0	0	1	0	1	1	0	0	2	5	0	0	0	0	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Bumetrizole	1	1	0	1	0	0	1	1	0	0	1	0	1	0	0	4	1	0	0	0	0	0	3	0	0	0	1	1	2	1	0	0	3	5	0	0	1	3	0	3	0	0	3	0	1	0	0	0	0	0	0	0	0	1	0	3	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4-Methylbenzophenone	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	1	3	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,4,6-Tribromophenol	4	1	0	0	0	0	0	0	0	0	1	0	2	1	0	4	0	0	0	0	0	1	0	1	0	1	1	0	2	1	0	0	2	2	1	0	0	4	1	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	2	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,6-Dichloro-4-nitroaniline	1	0	0	0	1	0	0	0	0	0	2	1	2	2	1	2	1	0	0	1	1	0	1	0	0	1	2	2	4	1	0	0	3	0	0	0	2	2	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	3	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	3	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	0	0	1	1	2	0	1	0	0	0	0	1	0	0	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+1-Methylphenanthrene	0	0	0	0	0	0	2	1	0	0	0	0	0	1	0	1	0	0	0	0	0	0	1	1	0	0	0	0	2	1	0	0	1	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Triclosan	3	1	0	0	0	0	1	2	0	1	1	0	2	0	1	2	1	0	1	1	2	0	2	1	0	0	2	0	3	1	0	0	2	2	0	0	0	1	1	1	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	1	1	0	1	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0
+Drometrizole	0	0	0	0	0	0	0	1	0	0	0	0	2	0	0	3	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	3	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Enzacamene	0	1	0	0	0	0	4	2	0	1	1	0	4	1	1	6	0	0	0	1	2	0	4	4	0	1	3	0	3	1	1	0	4	7	0	0	2	0	1	4	0	0	3	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	2	0	0	0	0	0	1	0	0	0	0	0	1	0	4	0	1	0	0	0	0	2	1	0	1	0	0	0	0	0	2	1	2	3	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	1	0	1	0	0	0	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0
+2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	0	1	0	0	0	0	2	3	0	0	0	0	0	0	1	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
+Octrizole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	3	1	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,7,9-Tetrachlorodibenzofuran	3	0	0	0	0	0	1	0	0	0	0	1	1	0	0	2	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	1	0	0	0	1	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4,5,5',6-Heptachlorobiphenyl	5	0	0	0	0	0	0	0	0	1	1	1	2	0	1	2	1	0	1	0	1	0	2	0	0	0	1	0	0	2	0	0	1	1	0	1	0	3	1	1	0	0	3	0	1	0	0	0	0	0	0	1	0	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,4,6-Trichlorobiphenyl	1	0	0	0	0	0	3	0	0	0	2	1	3	0	0	3	1	0	0	0	1	0	1	1	0	0	0	1	3	1	0	0	2	0	0	0	1	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,3',4,5',6,6'-Octachlorobiphenyl	10	2	0	0	0	0	1	0	0	1	2	2	3	3	1	3	1	0	1	1	4	0	6	3	0	1	1	0	4	1	1	0	4	4	1	1	2	1	1	4	0	0	0	0	2	0	0	0	0	1	0	0	0	1	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	2	0	0	0	2	1	0	1	0	0	0	0	0	0	0	1	3	1	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	2	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	2	0	0	0
+Mirex	2	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	1	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	2	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+beta-Hexachlorocyclohexane	3	0	0	0	0	0	1	0	0	0	0	1	1	0	1	2	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	2	0	1	1	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+alpha-1,2,3,4,5,6-Hexachlorocyclohexane	3	0	0	0	0	0	1	0	0	0	0	0	1	0	1	2	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Lindane	3	0	0	0	0	0	1	0	0	0	0	0	1	0	1	2	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	2	0	1	1	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+delta-Hexachlorocyclohexane	3	1	0	0	0	0	1	0	0	0	0	0	1	0	1	2	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	2	0	1	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+epsilon-Hexachlorocyclohexane	3	0	0	0	0	0	1	0	0	0	0	0	1	0	1	2	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	2	0	1	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Pentachlorobenzene	2	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Hexachlorobenzene	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,4'-Dichlorodiphenyldichloroethylene	1	0	0	0	0	0	0	0	0	0	1	0	3	2	0	1	2	0	0	1	0	0	0	0	0	1	0	0	2	1	0	0	2	0	0	0	2	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,4'-Dichlorodiphenyldichloroethane	0	0	0	0	0	0	0	1	0	0	0	0	2	1	0	4	1	0	0	1	0	0	0	0	0	0	0	0	1	2	0	0	2	1	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+2,4'-Dichlorodiphenyltrichloroethane	1	0	0	0	0	0	0	1	0	0	0	1	3	2	0	3	2	0	0	1	0	0	1	1	0	0	0	0	2	2	0	0	2	1	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,7,9-Tetrachlorodibenzo-p-dioxin	2	1	0	0	0	0	2	1	0	1	1	1	1	0	0	1	4	0	1	0	2	0	2	0	0	0	1	0	1	2	0	0	1	3	1	0	1	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+2,4,4'-Trichlorobiphenyl	1	0	0	0	0	0	3	0	0	0	2	0	2	0	0	2	1	0	0	0	1	0	1	0	0	0	0	1	3	1	0	0	2	0	0	0	1	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',4,5,5'-Pentachlorobiphenyl	1	0	0	0	0	0	1	0	0	1	1	1	1	0	0	2	2	0	0	0	3	1	1	0	0	0	1	0	2	1	0	0	3	1	0	0	0	0	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3',4,4',5-Pentachlorobiphenyl	1	0	0	0	0	0	1	0	0	1	1	0	1	0	1	2	2	0	0	0	2	1	1	0	0	0	0	0	2	1	0	0	1	1	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,4,4',5'-Hexachlorobiphenyl	3	0	0	0	0	0	0	0	0	1	1	0	1	0	1	4	1	0	1	0	3	1	1	0	0	0	1	0	1	1	0	0	2	2	0	0	0	0	0	0	0	0	3	0	2	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',4,4',5,5'-Hexachlorobiphenyl	3	0	0	0	0	0	0	1	0	1	1	1	2	0	1	4	2	0	1	0	4	1	1	0	0	0	1	0	1	2	0	0	2	2	0	0	0	0	0	0	0	0	3	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,4,4',5,5'-Heptachlorobiphenyl	7	0	0	0	0	0	0	0	0	1	0	2	1	0	1	2	1	0	1	0	4	1	2	0	0	0	1	0	0	2	0	0	3	2	0	1	0	4	1	1	0	0	2	0	2	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',5,5'-Tetrachlorobiphenyl	0	0	0	0	0	0	1	0	0	0	1	1	2	0	0	3	2	0	0	0	1	0	2	0	0	0	0	1	2	1	0	0	2	0	0	0	1	1	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3',4,6-Tetrachlorobiphenyl	1	0	0	0	0	0	1	0	0	1	1	1	2	0	0	2	0	0	0	0	2	0	2	0	0	0	1	1	2	1	0	0	3	0	0	0	1	0	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3',5',6-Tetrachlorobiphenyl	0	0	0	0	0	0	1	0	0	0	1	0	2	0	0	3	0	0	0	0	1	0	1	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
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+2,3',4,4',5',6-Hexachlorobiphenyl	4	0	0	0	0	0	0	0	0	1	1	1	2	0	1	3	2	0	1	0	3	1	1	0	0	0	1	0	1	1	0	0	3	1	0	0	0	0	0	1	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3,3',4,5,6-Hexachlorobiphenyl	4	0	0	0	0	0	0	0	0	1	1	1	1	0	1	2	1	0	0	0	3	1	2	0	0	0	1	0	1	2	0	0	1	2	1	0	0	3	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3,3',4',5',6-Hexachlorobiphenyl	3	0	0	0	0	0	0	0	0	1	1	1	1	0	1	3	2	0	1	0	4	1	1	0	0	0	1	0	1	2	0	0	2	2	0	0	0	0	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3,3',4',5,6-Hexachlorobiphenyl	2	0	0	0	0	0	0	0	0	1	0	0	1	0	1	2	2	0	1	0	1	0	1	0	0	0	0	0	0	1	0	0	1	2	0	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,3',4',5,5',6-Heptachlorobiphenyl	6	0	0	0	0	0	0	0	0	1	1	2	1	0	1	2	1	0	1	0	2	0	2	0	0	0	1	0	0	2	0	0	2	3	0	1	0	2	1	1	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Prallethrin	0	1	0	1	0	0	0	1	0	1	1	0	1	0	1	2	2	0	0	0	1	0	0	1	0	0	1	0	1	0	0	0	2	0	0	0	2	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Prallethrin	1	1	0	1	1	0	1	1	0	0	1	0	1	0	1	2	0	0	0	2	1	0	0	1	0	0	1	0	1	0	0	0	2	2	0	0	2	0	1	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	2	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+cis-Resmethrin	0	0	0	1	1	0	0	1	0	0	1	0	0	1	0	3	0	0	0	0	0	0	3	1	0	0	1	0	1	1	0	0	3	5	0	0	2	0	1	1	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+trans-Resmethrin	0	0	0	1	0	0	0	1	0	0	0	0	1	0	0	4	0	0	0	0	0	0	2	1	0	0	1	0	0	2	0	0	2	5	0	0	1	0	1	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+cis-Tetramethrin	0	0	0	0	2	0	1	0	0	2	0	0	3	0	0	2	1	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	1	1	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+trans-Tetramethrin	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	2	2	0	0	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Bifenthrin	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	3	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Fenpropathrin	0	0	0	0	1	0	0	1	0	1	1	0	2	1	0	4	0	0	0	1	2	0	2	1	0	1	0	0	1	1	0	0	2	3	0	0	1	1	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+cis-Phenothrin	0	1	0	1	0	0	0	1	0	1	1	0	2	0	0	4	1	0	0	0	1	0	1	1	0	1	1	0	2	1	0	0	1	4	0	0	3	0	1	1	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+trans-Phenothrin	0	0	0	1	0	0	0	1	0	1	1	0	3	0	0	4	1	0	0	1	1	0	0	1	0	1	1	0	2	1	0	0	2	5	0	0	2	0	1	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+cis-Cyphenothrin	0	0	0	1	0	0	0	1	0	0	0	0	3	1	0	3	0	0	0	1	0	0	2	1	0	2	1	0	0	0	0	0	3	3	0	0	2	1	1	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Cyphenothrin	0	0	0	1	0	0	0	1	0	1	0	0	2	1	0	2	0	0	0	1	0	0	2	1	0	2	1	0	0	0	0	0	4	3	0	0	2	1	1	2	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Flucythrinate_isomer1	0	1	0	0	0	0	0	2	0	1	1	0	2	1	1	7	0	0	1	1	2	0	1	2	0	1	1	0	2	0	0	0	4	5	0	0	1	1	0	2	0	0	3	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Flucythrinate_isomer2	0	0	0	0	0	0	0	2	0	1	1	0	3	1	1	6	0	0	0	0	2	0	1	2	0	1	1	0	2	1	0	0	3	3	0	0	1	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+cis-Fenvalerate	0	1	0	0	0	0	0	1	0	0	1	0	2	1	0	6	0	0	0	1	0	0	2	1	0	1	0	0	1	1	0	0	2	3	0	0	2	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Fenvalerate	1	1	0	0	0	0	1	1	0	1	1	0	4	2	0	6	1	0	0	1	0	0	1	1	0	2	1	0	1	0	0	0	4	4	0	0	3	1	1	2	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Deltamethrin	3	1	0	0	0	0	1	0	0	0	1	0	5	1	1	3	1	0	2	1	2	0	3	0	0	2	0	0	2	1	0	0	3	4	0	0	1	2	1	4	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	0	1	0	3	0	0	0	0	0	1	0	0	0	2	0	0	0	3	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	3	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Chlorpyrifos oxon	4	1	0	0	0	0	0	0	0	0	0	1	0	0	1	2	1	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	1	1	0	0	2	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	1	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	1	1	0	1	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+lambda-Cyhalothrin	0	0	0	0	0	0	0	1	0	1	0	0	1	1	0	3	0	0	0	1	0	0	1	1	0	1	0	0	0	1	0	0	1	3	0	0	1	2	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tefluthrin	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	1	1	0	0	0	0	0	0	0	0	2	1	0	0	1	2	0	0	1	2	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Transfluthrin	1	0	0	0	1	0	1	1	0	0	1	0	0	0	0	2	0	0	1	1	1	0	0	1	0	0	0	0	2	2	0	0	1	3	1	0	1	0	1	1	0	0	3	0	1	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
+cis-Permethrin	0	0	0	0	1	0	0	1	0	1	1	0	1	0	0	4	1	0	1	0	2	0	0	0	0	0	0	0	1	0	0	0	0	3	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Permethrin	0	0	0	0	0	0	0	1	0	1	1	0	1	0	0	3	1	0	1	0	2	0	0	1	0	0	0	0	2	0	0	0	0	4	0	0	1	0	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+cis-Allethrin	0	0	0	1	1	0	0	0	0	0	1	0	1	1	1	1	2	0	0	0	1	0	0	1	0	0	1	0	1	1	0	0	1	1	0	0	2	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	2	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Allethrin	0	0	0	1	1	0	0	1	0	0	1	0	2	0	1	1	1	0	0	0	1	0	1	1	0	0	1	0	1	1	0	0	2	1	0	0	2	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Cypermethrin_isomer1	2	1	0	0	0	0	0	1	0	0	1	0	3	1	0	3	1	0	1	1	2	0	3	1	0	1	0	0	1	2	0	0	2	4	0	0	0	0	0	3	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Cypermethrin_isomer1	0	0	0	0	0	0	0	1	0	1	2	0	3	1	0	3	0	0	1	0	1	0	2	1	0	1	0	0	2	1	0	0	2	3	0	0	1	1	1	2	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Cypermethrin_isomer2	0	2	0	0	1	0	0	1	0	1	0	0	2	1	1	1	2	0	1	2	2	0	1	0	0	1	0	0	0	2	0	0	2	4	0	0	2	2	1	3	0	0	3	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Cypermethrin_isomer2	4	2	0	0	1	0	0	2	0	0	1	0	3	2	1	6	0	0	1	1	2	0	1	3	0	1	1	0	2	2	0	0	5	5	0	0	2	1	1	2	0	0	2	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	3	0	0	0	0	0	0	0	0	0	1	0	0	0	3	0	1	1	0	0	0	0	0	0	1	0	0	1	0	0	0	2	2	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	1	0	0	2	1	0	2	0	0	0	0	1	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Cyfluthrin_isomer1	0	0	0	0	0	0	0	1	0	1	2	0	3	0	0	2	1	0	2	1	0	0	3	1	0	0	0	0	2	2	0	0	2	1	0	0	0	1	0	3	0	0	2	0	1	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Cyfluthrin_isomer1	1	0	0	0	0	0	2	1	0	0	1	0	3	1	1	3	1	0	2	1	0	0	2	2	0	0	1	0	1	1	0	0	1	2	0	0	0	1	1	3	0	0	2	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	3	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Cyfluthrin_isomer2	1	2	0	0	1	0	2	0	0	2	0	0	3	0	1	3	1	0	2	0	0	0	2	0	0	1	1	0	0	1	0	0	3	2	0	0	1	1	0	3	0	0	2	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	1	0	1	0	2	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	1	1	0	0	1	0	0	1	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+trans-Cyfluthrin_Isomer2	1	1	0	0	0	0	0	1	0	0	1	0	3	1	1	4	2	0	2	2	0	0	4	2	0	0	1	0	1	2	0	0	3	2	0	0	1	0	0	2	0	0	2	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	2	1	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin	5	0	0	0	0	0	0	0	0	0	0	2	1	2	1	0	2	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	1	0	3	0	0	4	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin	6	0	0	0	0	0	0	0	0	0	0	6	1	2	1	0	3	0	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	4	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Octachlorodibenzo-p-dioxin	8	0	0	0	0	0	0	0	0	0	0	3	1	1	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	2	0	3	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Octachlorodibenzofuran	5	0	0	0	0	0	0	0	0	0	0	1	0	2	1	0	3	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	3	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,7,8-Pentachlorodibenzofuran	2	0	0	0	0	0	0	0	0	0	0	2	1	1	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	3	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	2	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,4,7,8-Hexachlorodibenzofuran	3	0	0	0	0	0	3	0	0	0	0	1	1	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,4,6,7,8-Heptachlorodibenzofuran	3	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,7,8-Tetrachlorodibenzofuran	4	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	3	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	3	0	1	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,7,8-Tetrachlorodibenzo-p-dioxin	2	0	0	0	0	0	1	1	0	0	1	1	1	0	0	1	3	0	1	0	1	0	1	0	0	0	0	0	1	2	0	0	0	0	1	0	1	2	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,7,8-Pentachlorodibenzo-p-dioxin	2	0	0	0	0	0	0	1	0	0	0	2	1	0	1	1	3	0	1	0	2	0	0	0	0	0	0	0	0	1	0	0	0	0	2	0	1	2	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,4,5-Tetrabromo-6-chlorotoluene	6	0	0	0	0	0	0	0	0	0	0	2	1	2	0	1	1	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	3	0	1	1	1	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,4,5,6-Pentabromotoluene	4	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,4,5,6-Pentabromoethylbenzene	9	0	0	0	0	0	0	0	0	0	0	7	0	1	0	2	2	0	2	0	0	1	1	0	0	0	0	0	0	1	0	0	2	0	0	1	0	3	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	1	2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,5,6-Tetrabromo-p-xylene	3	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	3	0	0	0	0	2	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Allyl 2,4,6-tribromophenyl ether	5	1	0	1	2	0	1	2	0	1	1	2	4	3	1	4	2	0	0	0	1	1	3	1	0	0	1	0	1	2	0	0	3	3	3	0	3	3	0	0	0	0	2	0	1	0	0	0	0	0	0	1	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	1	1	0	0	0	0	0	2	0	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2-Bromoallyl(2,4,6-tribromophenyl) ether	8	1	0	0	0	0	1	1	0	0	0	3	2	2	1	2	1	0	0	0	2	1	1	0	0	0	1	0	0	0	0	0	2	0	2	0	1	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Pentabromobenzene	4	0	0	0	0	0	0	0	0	0	0	3	0	1	0	2	0	0	1	0	0	0	1	0	0	0	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Hexabromobenzene	4	0	0	0	0	0	0	0	0	0	0	2	0	1	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	2	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,4,5,6-Pentabromobenzyl alcohol	7	0	0	1	0	0	5	1	0	1	1	4	2	4	1	3	2	0	1	1	0	2	4	2	0	1	1	0	2	1	0	0	3	4	1	4	1	1	1	3	0	0	2	0	1	0	0	0	0	0	0	0	0	1	2	1	1	1	1	0	0	0	0	0	0	0	0	0	2	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	1	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	1	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	6	1	0	0	0	0	0	0	0	2	1	3	1	1	1	3	1	0	0	0	0	0	1	1	0	0	1	0	1	1	0	0	2	0	0	0	1	0	1	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+syn-Dechlorane plus	11	0	0	0	0	0	0	2	0	0	1	2	1	0	1	2	5	0	1	1	4	1	2	1	0	0	0	0	2	0	0	0	0	2	2	0	0	2	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+anti-Dechlorane plus	10	0	0	0	0	0	0	2	0	0	1	3	1	0	1	2	5	0	1	1	2	1	2	1	0	0	0	0	2	0	0	0	0	1	2	0	1	1	0	0	0	0	2	0	2	0	0	0	0	0	0	0	0	0	1	1	1	1	2	0	0	0	0	0	0	0	0	0	3	0	0	0	2	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	2	0	0	0	0	0	3	0	0	0	0	0	1	1	1	0	1	0	0	0	1	0	1	1	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+beta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	2	0	0	0	0	0	3	0	0	0	0	0	1	1	1	0	0	0	0	0	1	0	1	1	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+1,2,5,6-Tetrabromocyclooctane	2	0	0	0	0	0	2	0	0	0	0	0	1	1	1	0	1	0	0	0	0	0	1	1	0	0	0	0	1	1	0	0	1	1	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	13	1	0	0	0	0	3	2	0	0	2	3	2	1	1	5	7	0	1	2	6	1	2	1	0	0	0	1	4	4	0	0	4	2	3	0	1	3	0	1	0	0	3	0	2	0	0	0	0	0	0	1	0	1	4	2	2	1	2	0	0	0	0	0	0	0	0	0	1	0	0	0	3	0	1	2	0	0	0	0	0	0	0	0	0	0	0	1	0	1	2	0	1	2	1	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	2	1	2	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+alpha-Amylcinnamaldehyde	0	1	0	0	0	0	0	1	0	0	0	0	1	0	1	3	0	0	0	1	2	0	1	1	0	0	0	1	1	0	0	0	1	4	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+trans-Cinnamaldehyde	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+1-Fluronaphthalene	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	2	1	0	0	2	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+alpha-Hexylcinnamaldehyde	0	1	0	1	0	0	0	2	0	0	0	0	0	0	0	4	1	0	0	1	1	0	1	2	0	0	0	0	0	0	0	0	2	3	0	0	1	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Lilial	0	1	0	0	0	0	0	1	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	2	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	1	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+alpha-Amylcinnamyl alcohol	0	1	0	0	0	0	0	2	0	0	0	0	0	0	1	3	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	2	2	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	1	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Eugenol	1	0	0	0	0	0	0	1	0	0	0	0	1	0	1	2	1	0	0	0	0	0	1	1	0	0	1	0	1	2	0	0	2	0	0	0	0	1	1	1	0	0	3	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Isoeugenol	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	1	0	0	0	0	0	0	1	1	0	0	1	1	2	2	0	0	3	0	0	0	0	2	0	1	0	0	3	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4-Methoxybenzyl alcohol	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Methyleugenol	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	2	1	0	0	0	0	0	1	1	0	0	1	0	2	2	0	0	3	2	0	0	0	2	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Cinnamyl alcohol	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	3	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Benzyl alcohol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Heptachlor	8	0	0	0	0	0	1	1	0	0	1	3	2	0	1	1	2	0	2	0	3	1	1	0	0	0	0	1	2	2	0	0	2	1	3	0	1	4	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Heptachlor epoxide	12	0	0	0	0	0	0	1	0	0	1	5	1	1	1	2	3	0	2	0	3	0	2	0	0	0	0	0	2	1	0	0	3	2	3	0	1	3	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endosulfan sulphate	10	0	0	0	0	0	0	0	0	0	0	5	0	0	1	2	5	0	1	1	2	1	3	0	0	0	1	0	0	1	0	0	4	1	3	0	1	2	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endrin ketone	14	1	0	0	0	0	1	1	0	0	1	3	0	2	1	3	7	0	0	1	4	0	2	0	0	0	1	1	3	3	0	0	4	1	2	0	1	4	0	0	0	0	2	0	2	0	0	0	0	0	0	0	0	0	3	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	3	0	0	0	0	0	0	0	0	0	0	0	1	0	3	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	0	0	0	2	1	1	2	1	0	0	0	2	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Chlordane	10	0	0	0	0	0	0	1	0	0	0	2	1	0	1	1	3	0	2	0	3	0	1	0	0	0	0	1	1	1	0	0	3	2	3	0	0	2	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Chlordane	10	0	0	0	0	0	0	1	0	0	1	3	1	0	1	2	3	0	2	0	3	0	0	0	0	0	0	1	2	1	0	0	4	2	3	0	0	4	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endrin aldehyde	17	2	0	0	0	0	1	1	0	0	1	3	1	1	1	5	8	0	1	1	4	1	2	1	0	0	1	1	3	2	0	0	6	3	4	0	2	2	0	1	0	0	2	0	2	0	0	0	0	1	0	0	0	0	2	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	3	0	0	0	0	0	0	0	0	0	0	0	2	0	3	3	0	0	0	1	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	1	0	0	1	1	2	1	1	0	0	0	2	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endrin	14	2	0	0	0	0	0	1	0	0	1	2	1	1	1	2	7	0	1	1	4	0	1	1	0	0	1	1	3	2	0	0	5	1	3	0	1	3	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	2	0	2	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	2	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	1	0	0	2	1	2	2	1	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4,4'-Dichlorodiphenyldichloroethylene	2	0	0	0	0	0	0	0	0	0	1	0	3	2	0	1	1	0	0	1	0	0	1	0	0	1	0	1	2	1	0	0	1	0	0	0	2	1	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	1	0	0	0	1	0	0	2	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Methoxychlor	0	0	0	0	0	0	1	2	0	1	1	0	2	0	0	2	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	1	1	0	0	0	0	0	4	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+4,4'-Dichlorodiphenyldichloroethane	2	0	0	0	0	0	0	1	0	0	0	0	1	1	1	3	1	0	0	1	0	0	1	1	0	0	0	0	1	2	0	0	3	1	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4,4'-Dichlorodiphenyltrichloroethane	2	0	0	0	0	0	0	1	0	0	0	1	2	2	0	3	1	0	0	1	0	0	1	0	0	0	0	0	1	2	0	0	2	1	0	0	1	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(4-tert-butylphenyl) phosphate	0	0	0	0	1	2	0	1	0	1	0	0	1	0	0	1	1	1	0	0	0	0	0	0	2	0	1	0	0	0	0	0	2	1	0	0	0	0	0	2	0	0	2	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tri-n-butyl-phosphate	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(1,3-dichloro-2-propyl)phosphate	4	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	3	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	2	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tri-o-cresyl phosphate	0	0	0	0	1	0	1	1	0	1	0	0	1	1	0	3	1	0	0	1	1	0	1	1	0	0	3	0	1	2	0	0	2	3	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	3	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Tri-m-cresyl phosphate	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	3	1	0	0	1	1	0	0	3	0	0	2	0	0	0	0	0	1	3	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+Tri-p-cresyl-phosphate	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	3	1	0	0	1	1	0	0	5	0	0	2	0	0	0	0	0	1	2	0	0	1	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Isodecyl diphenyl phosphate	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	1	1	0	0	0	0	0	2	1	0	2	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(isopropylphenyl)phosphate	2	0	0	0	1	0	2	2	1	1	0	0	1	1	0	3	2	0	2	2	0	0	1	1	0	2	1	0	1	1	0	0	3	2	0	0	1	0	0	2	0	0	3	3	0	0	0	0	0	3	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(3,5-xylenyl)phosphate	0	0	0	0	0	0	0	0	0	2	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	2	1	0	0	1	0	0	3	0	0	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	1	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(2-butoxyethyl) phosphate	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	5	0	0	0	0	1	0	1	2	0	0	1	0	1	0	0	0	1	2	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0
+Tris(2-chloroethyl) phosphate	1	0	0	0	0	0	2	0	0	0	1	0	3	0	0	3	2	0	0	0	0	0	1	0	0	2	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(1-chloro-2-propyl) phosphate	1	1	0	0	0	0	0	1	0	0	1	0	1	0	1	1	0	0	0	1	0	0	0	0	0	0	1	0	1	1	0	0	2	1	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(2-ethylhexyl) phosphate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Triphenyl phosphate	3	0	0	0	0	0	2	1	0	0	0	0	4	0	0	1	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	1	0	1	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
+1,2-Benzanthraquinone	1	0	0	0	0	0	1	2	0	0	0	0	2	1	0	4	0	0	0	2	1	0	0	3	0	0	0	0	1	1	0	0	3	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,4-Chrysenequinone	1	1	0	0	0	0	2	2	0	0	1	0	4	1	1	4	1	0	0	2	1	0	3	3	0	1	2	0	3	2	0	0	4	1	0	0	1	1	0	3	0	0	3	0	2	0	0	0	0	0	0	0	0	1	2	0	1	1	1	0	0	0	0	0	1	0	0	0	0	0	1	0	2	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	2	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	1	1	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Hydroxychrysene	1	0	0	0	0	0	3	0	0	0	0	0	1	0	0	1	0	0	1	0	1	0	1	2	0	0	1	0	1	0	0	0	3	0	0	0	1	0	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1-Nitronaphthalene	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	3	0	0	0	1	1	0	1	0	0	0	0	0	1	1	0	0	3	4	0	0	0	2	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	1	0	0	2	2	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Hydroxyfluoren-9-one	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	1	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,4-Naphthoquinone	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	3	0	0	0	0	2	0	0	0	0	0	0	1	0	2	0	0	3	2	0	0	0	3	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2-Methylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1-Methylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,6-Dimethylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	5	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	2	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,3-Dimethylnaphthalene	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	5	0	0	0	0	1	0	0	0	0	0	1	0	0	1	0	0	2	2	0	0	1	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,4-Dimethylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	4	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	2	2	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,5-Dimethylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	5	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	3	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2-Dimethylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1	4	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	2	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,8-Dimethylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	4	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	1	3	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	2	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+7,12-Dimethylbenz[a]anthracene	0	0	0	0	0	0	2	0	0	0	1	0	3	0	1	3	2	0	0	0	1	0	1	2	0	2	1	0	1	0	0	0	2	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+2,4-D butyl ester	3	1	0	0	0	0	2	0	0	0	1	1	0	1	1	2	1	0	1	1	3	0	2	0	0	0	0	0	1	2	0	0	1	0	1	0	0	1	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	2	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
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+2,3-Dichlorobiphenyl	2	0	0	0	0	0	3	0	0	0	1	1	3	0	0	4	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',5-Trichlorobiphenyl	1	0	0	0	0	0	3	0	0	0	2	1	2	0	0	4	1	0	0	0	1	0	1	0	0	0	0	1	3	1	0	0	2	0	0	0	1	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,4',5-Trichlorobiphenyl	1	0	0	0	0	0	3	0	0	0	2	1	2	0	0	3	1	0	0	0	1	0	1	0	0	0	0	1	3	1	0	0	2	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	0	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,5'-Tetrachlorobiphenyl	0	0	0	0	0	0	1	0	0	1	1	1	2	0	1	3	2	0	0	0	2	0	1	0	0	0	1	1	2	1	0	0	3	0	0	0	1	1	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3',4,4'-Tetrachlorobiphenyl	0	0	0	0	0	0	1	0	0	0	1	1	2	0	0	2	1	0	0	0	1	0	0	0	0	0	0	0	2	1	0	0	2	0	0	0	1	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,4',5,5',6-Heptachlorobiphenyl	6	0	0	0	0	0	0	0	0	0	1	2	1	0	1	2	1	0	1	0	3	1	2	0	0	0	0	0	0	2	0	0	1	2	0	1	0	3	1	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4,4',5',6-Heptachlorobiphenyl	6	0	0	0	0	0	0	0	0	1	1	2	1	0	1	2	1	0	1	0	2	1	2	0	0	0	1	0	0	2	0	0	3	2	0	1	0	4	1	0	0	0	2	0	1	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,3',4,4',5-Heptachlorobiphenyl	6	0	0	0	0	0	0	0	0	1	1	2	1	0	1	2	1	0	1	0	2	1	2	0	0	0	1	0	0	2	0	0	3	2	0	1	0	4	1	0	0	0	2	0	1	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4,5'-Pentachlorobiphenyl	1	0	0	0	0	0	1	0	0	1	1	1	1	0	1	2	2	0	0	0	3	1	1	0	0	0	1	0	2	1	0	0	3	1	0	0	0	0	0	0	0	0	3	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3,3',4',6-Pentachlorobiphenyl	1	0	0	0	0	0	1	0	0	1	1	1	1	0	1	2	1	0	0	0	2	1	1	0	0	0	0	0	2	1	0	0	1	1	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	10	0	0	0	0	0	0	0	0	0	1	3	0	1	1	2	1	0	1	0	1	1	2	0	0	0	0	0	1	1	0	0	1	3	1	2	1	5	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	1	2	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,5,5',6-Hexachlorobiphenyl	4	0	0	0	0	0	0	0	0	1	1	1	2	0	1	3	2	0	1	0	4	1	1	0	0	0	1	0	1	2	0	0	2	2	0	0	0	1	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	11	0	0	0	0	0	0	0	0	0	0	6	2	0	1	1	2	0	1	0	2	0	2	0	0	0	1	0	0	1	0	0	1	1	2	2	0	3	2	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	9	0	0	0	0	0	0	0	0	0	1	4	2	1	1	4	3	0	1	0	1	0	3	0	0	0	1	0	0	1	0	0	4	1	3	0	0	2	2	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	1	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	0	0	0	0	0	0	0	0	0	0	0	0	0	3	2	0	0	0	2	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	2	0	1	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	9	0	0	0	0	0	0	0	0	0	1	4	2	0	1	3	3	0	1	0	2	0	3	0	0	0	1	0	0	1	0	0	2	1	3	0	1	1	1	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	1	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4,5,5'-Hexachlorobiphenyl	3	0	0	0	0	0	0	0	0	1	1	1	1	0	1	3	2	0	0	0	4	1	1	0	0	0	1	0	1	2	0	0	2	2	0	0	0	1	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Praziquantel	1	0	0	0	0	0	1	2	0	0	1	0	1	0	1	5	0	0	0	1	2	0	1	3	0	0	0	0	2	1	0	0	2	4	0	0	0	1	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Mexacarbate	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	2	1	0	0	0	0	0	0	1	0	0	1	0	2	1	0	0	3	1	0	0	0	0	0	2	0	0	3	0	1	0	0	0	0	0	0	0	0	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Aminocarb	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	2	1	0	0	0	0	1	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Mevinphos	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Dicrotophos	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	2	1	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Dimethomorph _isomer1	2	1	0	0	0	0	2	1	0	0	1	0	2	1	0	2	0	0	0	0	2	0	0	0	0	0	0	0	2	1	0	0	1	2	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Dimethomorph_isomer2	2	1	0	0	0	0	2	1	0	0	1	0	2	1	0	2	0	0	0	0	2	0	0	0	0	0	0	0	2	1	0	0	0	1	0	0	1	0	0	3	0	0	1	0	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Temephos	2	0	0	0	1	0	1	2	0	0	2	0	2	0	0	2	1	0	1	1	0	0	1	0	0	0	0	1	2	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Methomyl	1	0	0	1	0	0	0	1	0	1	1	0	2	1	0	6	2	0	1	1	2	0	1	4	0	1	1	1	3	2	0	0	3	3	0	0	2	1	0	4	0	0	0	0	2	0	0	0	0	0	0	0	0	1	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	1	0	3	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	2	1	1	1	1	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	1	0	1	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0
+Ethiofencarb	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	1	0	0	0	1	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Furathiocarb	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	2	1	0	0	0	0	0	1	1	0	1	1	0	3	2	0	0	3	4	0	0	0	2	0	1	0	0	4	0	1	0	0	0	0	0	0	0	0	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Methabenzthiazuron	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	1	0	0	0	1	0	0	0	1	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Methiocarb	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	2	1	0	0	0	0	0	1	0	0	0	1	0	1	0	0	0	1	0	0	0	2	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tebuthiuron	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Iprovalicarb isomer 2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	1	1	0	0	1	1	0	1	0	0	0	0	1	0	1	0	0	3	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Propham	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	4	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Cyproconazole_isomer1	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	4	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	2	1	1	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Cyproconazole_isomer2	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	1	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Diclobutrazol	2	1	0	0	0	0	0	2	0	0	1	0	1	0	0	4	0	0	1	2	1	0	1	0	0	1	0	1	2	1	0	0	2	2	0	0	2	1	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	1	1	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Difenoconazole_isomer1	3	0	0	0	0	0	0	0	0	0	0	0	3	1	0	1	1	0	0	1	1	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	3	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Difenoconazole_isomer2	3	0	0	0	0	0	1	2	0	0	0	0	2	1	1	2	0	0	0	1	1	0	0	1	0	0	0	0	1	1	0	0	1	1	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	2	0	0	0	2	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	1	0	0	0	0	2	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0
+Diniconazole	3	0	0	0	0	0	2	2	0	0	1	1	1	1	0	3	2	0	1	0	0	0	3	0	0	0	0	0	2	2	0	0	0	3	0	0	1	2	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	2	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Epoxiconazole	1	0	0	0	0	0	1	1	0	1	2	0	1	0	1	6	2	0	2	1	1	0	3	1	0	1	1	0	4	1	0	0	4	4	0	0	2	0	1	2	0	0	2	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	2	0	0	0	0	2	0	2	1	2	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Etoxazole	2	3	0	1	1	0	2	4	0	0	0	0	1	1	1	3	1	0	1	3	2	0	4	1	0	0	1	3	3	2	0	0	4	4	0	0	2	2	1	1	0	0	3	0	2	0	0	0	0	1	0	2	0	2	2	3	0	0	0	0	0	2	0	1	0	0	0	2	0	0	3	2	3	0	1	0	0	2	2	0	0	0	0	0	0	1	0	0	2	0	0	0	1	1	0	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	2	0	1	1	0	1	1	2	0	2	0	2	0	1	1	0	2	1	1	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Fenarimol	3	1	0	1	0	0	3	0	0	1	0	0	1	1	0	4	1	0	0	2	3	0	1	0	0	1	0	2	1	1	0	0	1	0	1	0	1	2	0	2	0	0	0	0	2	0	0	0	0	0	0	1	0	1	2	0	0	0	1	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Fluquinconazole	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	1	0	0	0	0	0	1	0	0	0	0	0	2	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Flusilazole	1	0	0	0	0	0	2	1	0	1	0	0	0	0	0	3	1	0	0	1	2	0	2	0	0	2	0	0	1	1	0	0	0	1	0	0	0	0	1	2	0	0	1	0	2	0	0	0	0	0	0	0	0	1	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Flutriafol	0	0	0	0	0	0	1	1	0	1	0	0	1	0	0	2	0	0	0	1	1	0	2	1	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Hexaconazole	5	0	0	0	0	0	3	1	0	0	1	1	0	1	0	1	0	0	1	1	0	0	2	1	0	0	0	1	2	1	0	0	1	1	0	0	2	3	1	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Nuarimol	4	2	0	0	0	0	1	2	0	1	1	0	2	1	1	3	3	0	0	1	3	0	3	2	0	1	0	0	1	1	0	0	3	1	1	0	3	3	0	2	0	0	1	0	3	0	0	0	0	0	0	1	0	1	2	3	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	2	2	0	0	0	0	1	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Paclobutrazol	1	0	0	0	1	0	0	2	0	0	1	0	1	0	1	4	1	0	1	0	1	0	2	0	0	0	0	0	1	1	0	0	2	2	0	0	2	1	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	1	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	1	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Penconazole	1	0	0	0	0	0	2	2	0	0	1	0	2	0	0	3	1	0	0	1	0	0	2	0	0	1	0	1	2	1	0	0	0	2	0	0	1	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0
+Propiconazole_isomer1	4	1	0	0	0	0	0	0	0	1	0	0	0	0	0	4	4	0	0	1	0	0	2	0	0	1	0	0	0	1	0	0	2	0	0	0	1	1	0	1	0	0	3	0	2	0	0	0	0	0	0	0	0	0	0	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	1	1	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Propiconazole_isomer2	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	3	0	0	1	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	1	1	0	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tebuconazole	0	0	0	0	0	0	0	1	0	1	1	0	1	0	0	3	1	0	1	0	0	0	2	0	0	3	0	0	3	1	0	0	1	3	0	0	1	0	0	2	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	0	1	0	3	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	2	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tetraconazole	2	0	0	0	3	0	2	1	0	1	1	1	1	0	0	2	1	0	0	1	0	0	2	0	0	0	0	0	2	1	0	0	0	0	0	0	1	1	0	1	0	0	1	0	2	0	0	0	0	0	0	1	0	1	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Triadimenol_isomer1	1	1	0	0	0	0	0	0	0	1	0	0	1	1	0	2	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	1	1	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Triadimenol_isomer2	4	1	0	0	0	0	1	1	0	1	0	0	2	1	0	4	0	0	0	1	0	0	3	2	0	0	1	1	0	3	0	0	2	2	0	0	2	2	0	2	0	0	3	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	1	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	1	1	0	2	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Metconazole	3	2	0	0	0	0	3	1	0	1	1	0	2	1	0	6	3	0	1	0	2	0	1	1	0	3	0	0	3	2	0	0	3	6	0	0	2	0	1	2	0	0	3	0	1	0	0	0	0	0	0	0	0	1	1	2	1	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	3	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	1	1	0	2	0	0	0	0	2	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Triflumizole	2	1	0	0	1	0	3	1	0	1	2	0	3	1	0	5	2	0	1	2	4	0	2	0	0	2	0	1	4	2	0	0	2	4	0	0	3	1	0	4	0	0	1	0	3	0	0	0	0	0	0	0	0	1	3	1	1	0	3	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	2	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Triticonazole	3	1	0	0	1	0	2	2	0	2	2	0	2	1	0	6	2	0	2	0	4	0	2	2	0	0	0	0	5	1	0	0	3	6	0	0	2	1	1	2	0	0	2	0	2	0	0	0	0	0	0	0	0	1	1	3	0	1	1	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	3	1	1	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	2	0	0	2	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Ipconazole	2	1	0	0	0	0	2	1	0	0	1	0	4	1	0	6	2	0	0	0	1	0	4	1	0	2	1	0	2	2	0	0	3	6	0	0	2	0	0	4	0	0	3	0	2	0	0	0	0	0	0	0	0	1	1	3	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	2	0	0	0	1	0	1	0	0	0	0	0	0	0	1	1	2	2	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	1	1	2	0	2	0	0	0	0	2	0	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0
+Fuberidazole	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Fenpropimorph_isomer1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Fenpropimorph_isomer2	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Spirodiclofen	3	2	0	0	0	0	4	1	0	0	1	1	4	0	0	4	3	0	1	2	4	0	2	0	0	1	0	0	2	1	0	0	3	1	0	0	1	1	1	1	0	0	2	0	1	0	0	0	0	0	0	1	0	1	3	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	2	0	0	1	0	0	0	0	0	0	1	0	0	0	1	1	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Spiromesifen	1	1	0	1	0	0	2	2	0	1	1	0	2	1	0	5	0	0	0	1	3	0	3	4	0	1	2	1	2	1	0	0	1	7	0	0	2	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	3	0	0	2	0	0	1	0	0	0	0	0	0	1	2	0	1	0	0	0	0	1	2	0	1	0	0	0	0	0	2	0	0	3	1	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	1	0
+Spirotetramat	2	2	0	1	0	0	2	5	0	2	1	0	6	1	0	7	1	0	1	2	4	0	4	8	0	3	2	1	2	1	0	0	3	7	0	0	3	0	0	4	0	0	2	0	0	0	0	0	0	0	0	1	0	0	1	3	0	0	3	0	0	3	0	0	1	0	0	1	0	0	3	1	3	0	0	0	0	0	2	2	3	0	1	0	0	1	0	0	3	0	2	3	2	0	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	0	1	2	1	0	1	1	0	0	1	2	0	1	0	2	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	1	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0
+17-alpha-Ethynylestradiol	1	0	0	2	0	0	2	2	0	1	1	0	4	1	1	5	1	0	0	1	2	0	3	4	0	2	2	1	2	1	0	0	3	7	0	0	1	1	0	4	0	0	2	0	0	0	0	0	0	1	0	1	0	0	0	2	0	1	2	0	0	1	0	0	0	0	0	0	0	0	1	0	3	0	1	0	0	0	0	2	1	0	0	0	0	0	0	0	2	1	0	3	1	0	0	0	0	0	1	0	0	2	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	2	1	0	0
+Bisphenol A	0	0	0	0	0	0	1	1	0	1	0	0	1	0	0	3	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	1	3	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4-tert-Octylphenol	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Estrone	1	0	0	0	0	0	1	1	0	1	1	0	3	1	1	6	0	0	0	2	1	0	2	7	0	1	3	1	2	1	0	0	3	7	0	0	0	1	0	3	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	1	0	3	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	2	0	0	3	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0
+17-beta-Estradiol	2	0	0	0	0	0	4	2	0	1	1	0	2	0	1	4	0	0	0	0	1	0	4	4	0	0	0	1	1	0	1	0	1	6	0	0	1	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	1	0	3	0	1	0	0	0	0	2	1	0	0	0	0	0	0	0	2	0	0	2	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+Progesterone	2	3	0	2	0	0	3	3	0	2	2	0	4	2	1	6	1	0	0	2	2	0	4	9	0	4	3	1	5	2	1	0	3	6	0	0	3	0	2	4	0	0	2	0	1	0	0	0	0	1	0	1	0	1	1	1	1	1	2	0	0	2	0	0	1	0	0	0	0	0	2	1	4	0	1	0	0	1	2	2	2	0	1	0	0	2	0	0	2	2	3	3	2	0	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	0	0	0	0	0	1	2	1	0	0	1	0	1	0	2	0	1	0	1	0	0	1	2	2	1	0	1	0	0	0	0	0	0	0	0	0	0	2	0	2	0	0	0	2	1	0	1	0	0	0	1	0	0	0	1	1	0	0	0	0	0	2	1	0	0
+Testosterone	1	1	0	1	1	0	0	2	0	1	1	0	4	1	1	5	0	0	0	1	2	0	3	7	0	2	2	1	4	1	0	0	3	3	0	0	1	0	1	2	0	0	3	0	1	0	0	0	0	0	0	0	0	1	1	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	1	0	4	0	1	0	0	0	0	1	1	0	0	0	0	2	0	0	2	2	3	1	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	1	1	0	0	0	1	0	2	0	2	0	1	0	0	0	0	1	1	2	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/scores_test2_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,387 @@
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+Perylene_2H12	0.0	0.0	0.0005256270959446041	0.0	0.03073097535576865	0.0	0.0	6.24557070442715e-05	0.0	0.0	0.0	0.0	0.004564716964324221	0.0	0.0	0.01320306660370882	0.0	0.0	0.0	0.00039214513461787934	0.0	0.0	0.0007918167287744313	0.0	0.0	0.0004447561432835879	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01405301901669034	0.0	0.0	0.0	0.0	0.0	0.010864712316628123	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1457986453664692	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07136533213674005	0.0	0.0	0.0	0.0	0.0	0.008502864326957613	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008332485011325066	0.06707997408159612	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014331972335452477	0.0	0.00279044697331512	0.0	0.0	0.0	0.0	0.08644538826313945	0.0	0.0230223502665467	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.051946183665058966	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07451431952403162	0.0	0.0	0.0	0.0	0.008606424963572753	0.0	0.0	0.0	0.0	0.0	0.029465908012253836	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06765194944236241	0.0	0.0
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+Phenanthrene_2H10	0.0024478437470211957	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04458305878768819	0.0	0.0	0.010556784103056164	0.0	0.0	0.0	0.0	0.0	0.0	0.053243824199748255	0.0	0.7408591267092633	0.0	0.0	0.0	0.0	0.12202560685242984	0.04568269717012136	0.004157278401108382	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028649962860904238	0.0	0.0391645806143903	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008485163950429123	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004892255878207329	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027071584755955534	0.0	0.0	0.0
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+Acenaphthylene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003934405261006229	0.0	0.0	0.540073031173669	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009962953778207079	0.0	0.0	0.008082612556477057	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018853105933565383	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.09634545222543957	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05637926040436767	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Fluoranthene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0022507909666510248	0.0	0.0	0.0	0.0	0.15612829213855417	0.008970227348871448	0.0	0.12015242355299775	0.0	0.0	0.0	0.001973969354737519	0.005394029160841623	0.0	0.0	0.0017124914331443396	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0599534131528098	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01141309943268154	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014085725296766107	0.03292124740879623	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Pyrene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0026208582867621954	0.0	0.0	0.0	0.0	0.15319136512354867	0.0	0.0	0.1216568587367081	0.0	0.0	0.0	0.002053663682544867	0.0053489261226923185	0.0	0.0	0.001951977690574852	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05952296847871486	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014336250753004437	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01928167839944009	0.04123366439327235	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+para-Terphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.0010056755114578168	0.000527813860308721	0.0	0.0	0.0	0.0	0.02982414128686115	0.006712525179512706	0.0	0.0388052098496772	0.0	0.0	0.0005116800200200359	0.0	0.0	0.0	0.0	0.000316889469090251	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0042928518661660385	0.0	0.0	0.0	0.0	0.0	0.0	0.0005549289154951427	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009972907514611442	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12397585027381679	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010039029476146055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06916386010272153	0.0	0.0	0.0	0.0	0.0	0.01168900676941338	0.0	0.06160286924972036	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013901941724911064	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Retene	0.0	0.0	0.0	0.0	0.0024982792877708652	0.0	0.16318259462298138	0.0002758445339385145	0.0	0.0	0.0	0.0	0.2386366759790566	0.011723665935218855	0.0	0.015987988706648706	0.0	0.0	0.0005419559909635751	0.0	0.18399960650869537	0.0	0.05070628382345822	0.00040074113572867285	0.0	0.0	0.0	0.0	0.0010658030983588566	0.0009204293915266768	0.0	0.0	0.012703946120912284	0.0	0.0	0.0	0.0915760397825296	0.0	0.0	0.0007657540369717141	0.0	0.0	5.9071269866753284e-05	0.0	0.37472668579836427	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002390552281035773	0.0	0.004765710713435893	0.0	0.0	0.0011155619674006396	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0028973417704197127	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027215635248062447	0.0	0.0	0.08109991817143386	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001984264665706998	0.0	0.0	0.0	0.0	0.0	0.004145472606101591	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03892542198159624	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03440039645273829	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzo[b]naphtho[2,1-d]thiophene	0.027517204661515887	0.0	0.0	0.0	0.0	0.0	0.4302304171927885	0.0004174696812856378	0.0	0.0	0.0	0.0	0.01590452303227162	0.0	0.0	0.017253181858062683	0.0	0.0	0.0	0.0	0.0	0.0	0.03381396938552944	0.00017077679878966774	0.0	0.0	0.0	0.0	0.01340113409077929	0.0012404670662591398	0.0	0.0	0.005749393863248603	0.010586674443447339	0.0	0.0	0.0	0.0	0.0	0.0014619155433967129	0.0	0.0	7.797126793763888e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004563848661861845	0.0	0.010722243887729604	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027342407295164965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16466837263477233	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008648734303397987	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3-Benzofluorene	0.0	0.0	0.0	0.0	0.0009993808171189188	0.0	0.008171102308401169	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002469751794814823	0.0	0.0	0.024618939515756447	0.0	0.0	0.0	0.014717889478973924	0.0027926227643341552	0.0	0.0	0.0	0.0	0.0010303146313261056	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007402564221326206	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002310953116850344	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034874559108351603	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0022133281473491954	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0042494104605244115	0.0	0.0	0.0	0.01144723372807121	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzo[ghi]fluoranthene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06924369287704123	0.0	0.0	0.0700646416235591	0.0	0.0	0.0	0.0009784420614881958	0.000630157000493167	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009586640585401856	0.0	0.0	0.0	0.0	0.0	0.0	0.033361102464777956	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07871628081200535	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009651896948730476	0.0	0.0	0.004269287371228091	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triphenylene	0.0	0.0	0.0	0.0	0.0	0.0	0.0013178672887211467	0.0002964920874644423	0.0	0.0	0.0	0.0	0.02443176531630764	0.0	0.0	0.03410120586084024	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002955046606082147	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017244945785899592	0.0	0.0	0.0	0.0	0.0	0.0	0.0035797059172683592	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03420742166423769	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.15079388968735358	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13430910675416846	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007937828490565632	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Dibenzanthracene	0.0	0.0003803986870199969	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011034281091857503	0.0	0.0004553751566084585	0.0	0.0	0.0029732195425623575	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007350128988350404	0.0	0.0	0.0004191082412627697	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009426794131903065	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012602534028788512	0.0	0.04625812913249158	0.0	0.014167621029620275	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016195929830165282	0.0	0.0	0.0	0.0	0.0	0.0	0.011116376356984394	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02363902879230525	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Dicofol	0.04143425312948154	0.0	0.0	0.0	0.003736330453912965	0.0	0.00011541377422536278	0.0	0.0	0.0	0.0	0.0	0.0022430921628377085	0.03855388346569113	3.8776900036223985e-05	0.03498025883100179	0.017618470486940048	0.0	0.0	0.0	0.00035320570261835	0.0	0.0	0.0009556987111216446	0.0	0.32235849897575225	0.0011517128488703992	0.0	0.006863248365547823	0.011961752698843694	0.0	0.0	0.0036130502797403733	0.006778170616790882	0.0	0.0	0.0006204609113745883	0.0024518862842928184	0.0	0.008783988028550004	0.0	0.0	0.0018951613810712798	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015393982303897526	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03912542247197473	0.0	0.0	0.0	0.001424957132429368	0.0	0.007952414961361837	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008582808094312555	0.00793276336324249	0.0	0.0	0.005762084519733278	0.0	0.0	0.0	0.00999798068222119	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013205951834367907	0.0	0.0	0.01874822202305313	0.0	0.0	0.0	0.02061585060607953	0.01423820411502238	0.0	0.013556729975742626	0.0	0.0	0.0	0.0	0.0	0.0	0.0011618593687937081	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00874984188974771	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzophenone	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005706314247680144	0.0	0.0	0.0018787450050908848	0.0	0.0	0.03827286256444596	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0047914217524716645	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.20835156889015943	0.0	0.0	0.0	0.0	0.0	0.3484217666931861	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00822175027166484	0.00017089807027323542	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11437881024084888	0.0	0.0028672922608920953	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006788551197257502	0.038631801219795196	0.01770401000081294	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00941160706151016	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-tert-Butyl-4-methoxyphenol	0.0	4.517209535230276e-05	0.0	2.0779165079878395e-05	0.0	0.0	0.0	0.0003208459060374138	0.0	0.0	0.0008593900004291048	0.0	0.00023806256051119292	0.0	2.863177672584856e-05	0.00633419667105764	0.021915810750388235	0.0	0.0	0.0	0.0	0.0	0.0	0.0014439082299533923	0.0	0.0	0.001111009664461038	0.0	0.00032641676303174635	0.0	0.0	0.0	0.05510728947853812	0.03677980614528437	0.0	0.0	0.0024983800353585665	0.0010548833320387647	0.004405699991789957	0.028060502462476558	0.0	0.0	0.024230314033007294	0.0	0.00023107735189430094	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05043981251180292	0.008105790655807951	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01802879787175603	0.0	0.009813660774445229	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008239537088532433	0.04845013255379868	0.02301682749418255	0.0031537632540190067	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012062646365717496	0.0	0.0014452497487749195	0.0	0.0	0.018410936602796833	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03221238389395906	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Butylated hydroxytoluene	0.0	5.07456902944584e-05	0.0	0.0	0.0	0.0	0.0006917193005145304	0.0005205107189988396	0.0	0.0	0.0	0.0	0.0	0.0	8.514840739449147e-05	0.005050900150687883	0.03825008288648843	0.0	0.0	0.0	0.0	0.0	0.4899347755610658	0.0	0.0	0.0	0.004488311697772094	0.0	0.0011194953090622275	0.012440289678771642	0.0	0.0	0.006184172682378105	0.016500181934760206	0.0	0.0	0.0	0.0	0.0	0.0008043306062867705	0.0	0.0	0.06109157175422206	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0025109816895901665	0.0	0.0003232709319389989	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03588383916233871	0.0	0.013951594545485096	0.0	0.0024303011281819956	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019987341084238735	0.000844464092075611	0.0	0.0	0.004275657753675458	0.0	0.0	0.0	0.0	0.0	0.04673587562152655	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07956712732379319	0.0	0.0	0.020632329765315163	0.0	0.0	0.0	0.01736568306015014	0.0	0.002080398842249916	0.0	0.0	0.0	0.0	0.0	0.0	0.0025224219770805406	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01778468514685862	0.0	0.0	0.0	0.007977226309144131	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Bumetrizole	0.013589432827502235	0.0028959054112319385	0.0	5.316007796024038e-06	0.0	0.0	6.269134744493915e-05	0.0015780128791437723	0.0	0.0	0.012916524781813847	0.0	0.0016584470194678366	0.0	0.0	0.03757634521816517	0.00042848086328857297	0.0	0.0	0.0	0.0	0.0	0.014532300878125614	0.0	0.0	0.0	0.0040651504858204195	0.03207604338158124	0.0138796093188653	0.0010924162059162614	0.0	0.0	0.026705323802121213	0.028935788503859555	0.0	0.0	0.0006391694610606883	0.013522042161827504	0.0	0.0315437861516128	0.0	0.0	0.015047245984253582	0.0	8.70027756219081e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002023782532808894	0.0	0.2310571211221721	0.0	0.0	0.03119079041905811	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005285968872737768	0.0	0.012223170617582877	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.039978627839045745	0.0	0.002548677585107611	0.005187735784730838	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017496917647964528	0.0	0.0	0.0	0.0	0.0	0.001723210487978378	0.007173311161048183	0.0	0.0	0.010802567853405685	0.0	0.0	0.0	0.01691450043370897	0.0842957501725552	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012687269640177768	0.0	0.024788540938889003	0.02684327231342533	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.043370923236287745	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4-Methylbenzophenone	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.416302726931945e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02025415597894967	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017505140671910898	0.0	0.0	0.0	0.0	0.0	0.000853532098966861	0.0	0.0	0.047792370550835024	0.040002700517708864	0.0	0.0	0.0	0.0	0.0034272810339074002	0.41099027143335776	0.0	0.0	0.0018803515278140932	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021281140065075276	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016868662449796609	0.07742825044153773	0.009674374807026419	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007815728295513562	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009865644880252687	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4,6-Tribromophenol	0.007592728624514302	0.00048316264590392787	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002602985257937815	0.0	0.0019119371956817265	0.008210785238719669	0.0	0.007850464763623187	0.0	0.0	0.0	0.0	0.0	0.005573515509600892	0.0	0.0014784723680558354	0.0	0.003664538913612979	0.0006582795241334984	0.0	0.0029390419632593836	0.0030000316714027015	0.0	0.0	0.00851164354669048	0.009113296462948901	0.016629005274255464	0.0	0.0	0.008559422193349155	0.0010430222282967008	0.0	0.0	0.0	0.011457963453850624	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0001246177925113003	0.0	0.0	0.009136801121909949	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007619051103140748	0.0	0.021534391546539446	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.031004310447013596	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009439117204284106	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018768507278378713	0.0	0.0	0.02249085568416543	0.021170270224448447	0.015546791226571382	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008136343760106869	0.0	0.0	0.0	0.07068453896697577	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009851819327085929	0.0	0.0	0.0
+2,6-Dichloro-4-nitroaniline	0.0018426396161688563	0.0	0.0	0.0	0.0007364517967910106	0.0	0.0	0.0	0.0	0.0	0.008917363875631853	0.20998341159494335	0.009407567612810435	0.33898957004708385	0.00017467872406610864	0.031334687082751694	0.06603067908403037	0.0	0.0	0.0016167654746878201	0.03309283456090733	0.0	0.000778854425002741	0.0	0.0	0.004012120244760139	0.0017323170804114751	0.12263564449998403	0.009338553096768789	0.025738186399010845	0.0	0.0	0.029435932195460816	0.0	0.0	0.0	0.04104695197444698	0.004810065979860495	0.0	0.00030251964663582513	0.0	0.0	0.0009086438543945319	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009444142588961909	0.0	0.0	0.0050818610376385685	0.0	0.008757902513663141	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011461750150897437	0.0	0.0	0.0	0.0001524320588755113	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016364374845644245	0.003168170818057273	0.04763036765562204	0.006937113701049355	0.007744805017418263	0.0	0.0	0.0	0.017510828062196594	0.0	0.0	0.0	0.0	0.009322005830242059	0.0	0.0	0.0	0.0	0.0	0.0011418526354494971	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004350745512636174	0.0	0.027106814426333954	0.0	0.0	0.020178275515467154	0.0938287589240295	0.022212173778468985	0.0	0.010649366645060346	0.0	0.0	0.0	0.0	0.006336688203293554	0.0	0.0	0.016789733660533466	0.04055375844920888	0.029461217237986705	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.024872471903115995	0.0	0.0	0.0
+1-Methylphenanthrene	0.0	0.0	0.0	0.0	0.0	0.0	0.017394916904760402	7.183635766099934e-05	0.0	0.0	0.0	0.0	0.0	0.012947353696707527	0.0	0.00764123960052844	0.0	0.0	0.0	0.0	0.0	0.0	0.024217950387980244	0.000785783641892607	0.0	0.0	0.0	0.0	0.011343288106778098	0.0031867867821717072	0.0	0.0	0.00035564573931003423	0.012882946902510241	0.0	0.0	0.5459366395303993	0.0	0.0	0.0018926764829462486	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005908610160859066	0.005105294441563013	0.0	0.0	0.0	0.028487419847197895	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013933181555500144	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04581981845552942	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08797033376069804	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00668799584880203	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triclosan	0.012708369345970602	1.1353440777703512e-05	0.0	0.0	0.0	0.0	0.0012063247409985843	0.0013785365286304203	0.0	0.0001880533095454738	0.0016467983548925295	0.0	0.001419981993123237	0.0	4.8416162615144046e-05	0.012721192445889536	0.0002627497412468063	0.0	0.13434903881343435	0.0001972208217877521	0.01670237808313734	0.0	0.04100540739285825	0.0008160937832073948	0.0	0.0	0.003801601824460306	0.0	0.045237090811467665	0.004790305820704355	0.0	0.0	0.0036585697571262536	0.007721070327539396	0.0	0.0	0.0	0.08733871677757318	0.0008993125868383487	0.012037000164394627	0.0	0.0	0.0077347975946274105	0.0	0.005866932699836479	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009892141217009355	0.0	0.006230664142691052	0.00042994137472215666	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011780498675545445	0.0	0.0	0.0	0.011008264471069111	0.0	0.0	0.016958321321396196	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013528570579893347	0.0	0.0	0.4569843475650367	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021038345999071936	0.0	0.0	0.0	0.011500668616663233	0.0	0.0	0.0	0.03295152601733481	0.008542859346752424	0.0	0.0009049605728205928	0.0	0.0	0.0	0.0	0.0	0.00870674952942114	0.0	0.009015523132903856	0.026391325344210684	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004044321236599897	0.026450365043113266	0.0	0.0	0.0	0.0	0.0	0.00036667372279481123	0.0	0.0	0.0	0.014411556142310319	0.0	0.0	0.0	0.0	0.0	0.0	0.005974153783737237	0.0	0.0	0.0
+Drometrizole	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00015475784654388916	0.0	0.0	0.0	0.0	0.010758869824193018	0.0	0.0	0.5535081364244014	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004468543623257018	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018333474259380044	0.02359440988249174	0.0	0.0	0.011698720877442446	0.0	0.0	0.005467608575022161	0.0	0.0	0.0004273144647980998	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0027640824079271788	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010574703638214496	0.010435270035889174	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009332626826831891	0.0	0.0	0.0	0.0	0.0	0.0011524735936033416	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008044551032106677	0.0	0.0	0.0	0.00934347849521253	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Enzacamene	0.0	5.416880671642314e-05	0.0	0.0	0.0	0.0	0.04014219803045394	0.0018857200039600385	0.0	0.002127119971248009	0.015171307172532867	0.0	0.02874750390714468	0.0028788745198685133	7.15549574470621e-05	0.07789616874658584	0.0	0.0	0.0	0.002899319630322553	0.07585479067974832	0.0	0.01370923509076016	0.004071881392451565	0.0	0.00659119072795949	0.00842811064022419	0.0	0.026102237482088505	0.0004197396547447769	3.4304324780839144e-06	0.0	0.020405471592970067	0.10318978581605952	0.0	0.0	0.009769485035554389	0.0	0.0006797486155812511	0.08437753348478001	0.0	0.0	0.0967832013037473	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02421138690659935	0.0037575900445200256	0.0	0.0	0.012409238073854653	0.0	0.0	0.0	0.0	0.0	0.03652525847826257	0.0	0.0	0.0	0.0	0.0	0.00514322924120554	0.0	0.05910879320548527	0.0	0.0082176496607022	0.0	0.0	0.0	0.0	0.035947083848617015	0.0027941161896798995	0.0	0.0003836435880273116	0.0	0.0	0.0	0.0	0.0	0.0203553256284778	0.008612369716440495	0.0343178556650527	0.036729740817190465	0.04156739341491691	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002801242331798357	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16429960277928815	0.0	0.0	0.0	0.0	0.03687806180902657	0.0	0.0	0.004249664280928588	0.018093853060312977	0.0	0.013708038901138128	0.0	0.0	0.0	0.0	0.0	0.0035899956628836307	0.006955903441572259	0.007190465902250833	0.0030375318624859893	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.031788204510112945	0.0	0.0	0.0	0.05864187188570607	0.14396940230197552	0.0	0.0	0.0	0.0	0.0	0.0010670869143745948	0.0	0.0	0.0	0.11254748589634599	0.0	0.0	0.0	0.0	0.0	0.0	0.027909197078896414	0.0	0.0	0.0
+2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	0.0	2.901151844027273e-05	0.0	0.0	0.0	0.0	0.03174378631364984	0.1419543758042326	0.0	0.0	0.0	0.0	0.0	0.0	8.215187062374478e-05	0.0076052847959313	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002802719419983909	0.005460853256856252	0.0	0.0	0.0	0.00018874653116010266	0.0	0.0	0.0	0.0	0.0003274264268805369	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0037742719429555488	0.0010852182130677783	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026597029209931986	0.0	0.010769608973203395	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008044311849825195	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010497837818545278	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011125358000066027	0.0	0.0	0.0	0.0084284389376904	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012823111431235042	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.047327760452894156	0.0	0.0	0.0	0.0	0.00958985201515543	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007464549929180289	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Octrizole	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00016091068918893168	0.0	0.0010451511631879714	0.0	0.0	0.0	0.0	0.0	0.00880641571771973	0.0	0.0	0.05246974007550614	0.0	0.0	0.0	0.0	0.0	0.0	0.013325277019947603	0.0007111537870434887	0.0	0.0	0.0	0.0	0.0	0.0031112164183991807	0.0	0.0	0.00019142015233784227	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016661237093373433	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04206830595086405	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2,7,9-Tetrachlorodibenzofuran	0.011065604987218234	0.0	0.0	0.0	0.0	0.0	7.300099863221064e-05	0.0	0.0	0.0	0.0	0.006872574202505245	0.0009163757117574523	0.0	0.0	0.016977133882684077	0.023003412441042648	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005361983353412135	0.0	0.0	0.012223419390381149	0.0	0.007897091351135655	0.0	0.0	0.0	0.0006083283008952967	0.0	0.0	0.0	0.010242259532921804	0.0	7.487372023120806e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006111121200627387	0.0	0.0	0.007269793841691397	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04761561888930452	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011759412460374137	0.0	0.0040593643240548465	0.0	0.1608698849788031	0.036454850828025964	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008352968943856587	0.0	0.0	0.0071204905702380175	0.0	0.0	0.0	0.0	0.0	0.0027096863694472456	0.0	0.0	0.0	0.0	0.002418718891346104	0.007648229557671305	0.0	0.0012029713548164312	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4,5,5',6-Heptachlorobiphenyl	0.023212668685660864	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00010345710234634907	0.004463691114535746	0.0019370706429481415	0.0008864844843432873	0.0	2.3634703765037333e-05	0.011501122286261548	0.0012257656450401597	0.0	0.0009947924888304644	0.0	0.004094794078917985	0.0	0.008694888854021835	0.0	0.0	0.0	0.0004260970997720541	0.0	0.0	0.0208355492517318	0.0	0.0	0.00044166001596784854	0.019398173945994076	0.0	0.005420881590981558	0.0	0.002454369464898754	0.0011994642666679697	0.006444272456366652	0.0	0.0	0.008552509665997098	0.0	0.00010338427654883088	0.0	0.0	0.0	0.0	0.0	0.0	0.009385762658451067	0.0	0.0	0.0011138845679854862	0.0	0.0	0.0005947392379106	0.00868855145575117	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005546497084707677	0.0	0.0	0.0	0.0	0.0	0.0	0.004389692609425795	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010323655877583027	0.0007242817443826423	0.0	0.0	0.005491229929069883	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029826251884370347	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012105770166498588	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026481194693424037	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4,6-Trichlorobiphenyl	0.014081587929515115	0.0	0.0	0.0	0.0	0.0	0.06900407365470156	0.0	0.0	0.0	0.003137653334467074	0.007614715943620008	0.008024149034964623	0.0	0.0	0.00880170805096849	0.002095251041647359	0.0	0.0	0.0	0.0011638064437777275	0.0	0.11883919623767099	0.00032800664222790935	0.0	0.0	0.0	0.007295951979065652	0.003369496383582726	0.012528614267470867	0.0	0.0	0.007568637392797549	0.0	0.0	0.0	0.00041374698704456153	0.0	0.0	0.0	0.0	0.0	0.022331511713640177	0.0	0.0014658722742591811	0.0	0.0	0.0	0.0	0.0	0.0	0.08544380268109059	0.0	0.0	0.1414846829432177	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005679851565855247	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013526948625888017	0.0	0.0	0.0	0.0	0.06526172525015844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006465535516859338	0.0	0.0	0.0	0.0	0.0	0.0	0.02330611255772146	0.0	0.0	0.0	0.0	0.005819276240679251	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01176888067096838	0.0	0.0	0.0
+2,2',3,3',4,5',6,6'-Octachlorobiphenyl	0.026569861497356167	0.012935401162453864	0.0	0.0	0.0	0.0	0.003739509760549209	0.0	0.0	0.0014465005924661867	0.008601354560030278	0.003299480360483372	0.020653491355253847	0.025219763794974606	1.1415455460802994e-05	0.021911594964658308	0.0008829737054313094	0.0	0.000772382698240204	0.001497131187959964	0.036633955603975	0.0	0.015599696886205801	0.047697476318282125	0.0	0.020419513867933937	0.0010927985850561891	0.0	0.011062431371874041	0.00475237973128226	5.164951992800529e-06	0.0	0.014802201707609338	0.01555266373840218	0.0005996106528964471	0.005291871261236918	0.011965129570447175	0.00020141047759655953	0.001191115105189859	0.05462816107755965	0.0	0.0	0.0	0.0	0.00921880185992119	0.0	0.0	0.0	0.0	0.002559402946896118	0.0	0.0	0.0	0.003330867168852128	0.0	0.0002298403487178798	0.0	0.0	0.038777076994092684	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001193751097772195	0.0	0.00039448032195786765	0.0	0.0	0.0037318157521741076	0.0	0.0	0.0	0.12064211458558788	0.004206896965383265	0.0	0.0010071305663791356	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001041875286205705	0.04686363634797806	0.018568792787142813	0.0	0.11149221630182125	0.0	0.0	0.0	0.0	0.0	0.0	0.0030307090534316848	0.0	0.002136960808938849	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016103457849300715	0.0	0.0	0.0	0.0	0.0	0.0	0.015396310178126335	0.0	0.0	0.0	0.0017471865042797	0.0	0.0	0.0	0.0	0.0	0.0054051946428378276	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.035712333462604294	0.0	0.0	0.12649096051400496	0.0	0.0	0.0	0.027527957023956804	0.03268257487763799	0.0	0.0	0.0	0.0	0.0	0.0017396786228451107	0.0	0.0	0.0	0.011031089938855581	0.004226156529258482	0.0	0.0	0.0	0.0	0.0	0.03772054209943503	0.0	0.0	0.0
+Mirex	0.003081269707343488	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007702484441742499	0.0	0.001471946560058373	0.0	0.0	0.00016114674257838667	0.0	0.007805365914393755	0.0	0.0	0.011884988666755195	0.0005902136819729806	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01411924556825088	0.0	0.01868597293191503	0.0	0.0	0.004426228386875334	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013311679503253732	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010073775314293648	0.0	0.0	0.0	0.001917347816481189	0.014889672820681706	0.0	0.0	0.0	0.0	0.0	0.006260329060739294	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011065875065033683	0.0	0.03409999487272108	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+beta-Hexachlorocyclohexane	0.08566109271531637	0.0	0.0	0.0	0.0	0.0	0.00027585439659461866	0.0	0.0	0.0	0.0	0.00039646760142770447	0.00019302626577637606	0.0	5.1886050421158864e-05	0.0022175036642188783	0.02227309087044651	0.0	0.0	0.0	0.0	0.0	0.01594951406871105	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0024284398632864568	0.0	0.036142560817964346	0.0	0.0007228233798680672	0.0008598874824141087	0.0	0.0	0.0	0.0	0.04104699175916069	0.0	0.0008455197222560446	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0805031178015206	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0021361388503582115	0.002113505626273351	0.0	0.0	0.0	0.0	0.0	0.018787263965196123	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010354268681009126	0.04843622664224739	0.0	0.0006345551040355006	0.0	0.0	0.0	0.0	0.12103059672461723	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-1,2,3,4,5,6-Hexachlorocyclohexane	0.06416950604681879	0.0	0.0	0.0	0.0	0.0	0.00031092414876202914	0.0	0.0	0.0	0.0	0.0	0.00011904881572128504	0.0	3.216738567876627e-05	0.0020292652274117246	0.014618011206061618	0.0	0.0	0.0	0.0	0.0	0.015515537846245563	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017827056677008275	0.0	0.02277392334583631	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02444410935010648	0.0	0.0006663345865748	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07489326506186586	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011761499595273864	0.0015561613109740188	0.0	0.0	0.0	0.0	0.0	0.016387595592452942	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011189735330210015	0.03722751083633222	0.0	0.0005830292299028663	0.0	0.0	0.0	0.0	0.07685593809185379	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Lindane	0.06568880405919736	0.0	0.0	0.0	0.0	0.0	0.00029349824157934274	0.0	0.0	0.0	0.0	0.0	0.00014552812521950655	0.0	3.773288245462863e-05	0.0021970133614862375	0.015593599255312077	0.0	0.0	0.0	0.0	0.0	0.016466987609535185	0.00029104434508395985	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019094693607676963	0.0	0.03056262210871303	0.0	0.0005232670451301345	0.0009513683520820486	0.0	0.0	0.0	0.0	0.04311743870357913	0.0	0.0007129264319618507	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07506091024335027	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014091738427836834	0.0018678070495270487	0.0	0.0	0.0	0.0	0.0	0.02206996981245763	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011710459803945604	0.05194282062918811	0.0	0.000871564365045989	0.0	0.0	0.0	0.0	0.09245715648390597	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+delta-Hexachlorocyclohexane	0.0739028053272046	1.1969592448012991e-05	0.0	0.0	0.0	0.0	0.0002748281838831983	0.0	0.0	0.0	0.0	0.0	0.00014448894836132512	0.0	3.5874881068013065e-05	0.0023195513743742052	0.013855741408715077	0.0	0.0	0.0	0.0	0.0	0.014945017824078937	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020188481051846394	0.0	0.026815238173256872	0.0	0.0005280783292892047	0.0	0.0	0.0	0.0	0.0	0.03350384126321822	0.0	0.0007515658004079789	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022870246511880115	0.0	0.0	0.06442361124188835	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012435356113432755	0.00178668471573471	0.0	0.0	0.0	0.0	0.0	0.01992081560489233	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011560605900146823	0.04269295034150006	0.0	0.0005720914764391215	0.0	0.0	0.0	0.0	0.08018326256994988	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+epsilon-Hexachlorocyclohexane	0.05025893813063549	0.0	0.0	0.0	0.0	0.0	0.0003139589715409974	0.0	0.0	0.0	0.0	0.0	0.0001271350819190383	0.0	3.141795744041154e-05	0.0024694994711903944	0.012000477050191872	0.0	0.0	0.0	0.0	0.0	0.01899691334863602	0.0003323692444829015	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001769814518256149	0.0	0.022178816152524882	0.0	0.00041394857131496634	0.0	0.0	0.0	0.0	0.0	0.032377084064413086	0.0	0.0006630108303068682	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003655030648884788	0.0	0.0	0.08320689850540913	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011576958347053615	0.0015801102946657692	0.0	0.0	0.0	0.0	0.0	0.016397589511706945	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012701350811448821	0.03891590970772449	0.0	0.0006397881690474311	0.0	0.0	0.0	0.0	0.0731657787473208	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Pentachlorobenzene	0.01774119764014287	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005842263250013518	0.008775057506641766	0.0	0.0	0.0	0.002003535556108743	0.0	0.0	0.0	0.0	0.0034473539812860635	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002335791271221008	0.0	0.0	0.011255616009598613	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0038263020451327306	0.0007102498674098483	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0045983485404776725	0.0	0.0	0.0	0.0037259715170846917	0.0	0.0003372555054738677	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Hexachlorobenzene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014924410369429457	0.0	0.0	0.0	0.0	0.0	0.0	0.0017479915143972754	0.0	0.0003307617705879416	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010218512653563465	0.0	0.0	0.0	0.0	0.030465684202713103	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008352192435442212	0.0	0.004436195428461387	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009087958298340396	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.24283207623964828	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014317128246406973	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0044263863334482725	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4'-Dichlorodiphenyldichloroethylene	0.013811019175720777	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00030913228185557896	0.0	0.012776566901558732	0.15582148967608847	0.0	0.001836034868168045	0.0013238387848385302	0.0	0.0	0.0008443849239972874	0.0	0.0	0.0	0.0	0.0	0.00506709411802779	0.0	0.0	0.0011184083506025671	0.007635940628697719	0.0	0.0	0.007258156999143309	0.0	0.0	0.0	0.005477817359119002	0.0	0.0	0.0007191892130834523	0.0	0.0	0.015579621393845328	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0022451849168592455	0.0	0.011276244547980575	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008803006779732501	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00044649795932797775	0.001763010709549757	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003678484628638385	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00912444941585415	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011182906024527477	0.0	0.0	0.0	0.0	0.015375102545088233	0.0	0.0	0.0	0.0	0.006622621673837473	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008489734602233263	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4'-Dichlorodiphenyldichloroethane	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014915071457347444	0.0	0.0	0.0	0.0	0.009332760318915835	0.05010557958216857	0.0	0.09115962709985731	0.02128591894522691	0.0	0.0	0.0001938140679172012	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033082754750135396	0.00810621685595658	0.0	0.0	0.003861314638327988	0.03653906514129653	0.0	0.0	0.0	0.0	0.0	0.002376916809781277	0.0	0.0	0.014723110396783215	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007420325100636452	0.00637310775043868	0.04856184804954889	0.007871135710813316	0.01948422644702519	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005616229129737026	0.001100484050679636	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009047062819106198	0.0	0.009479094230876575	0.0	0.0	0.0	0.0	0.0	0.0029791623846513113	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007927592061222805	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0061973623661436515	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4'-Dichlorodiphenyltrichloroethane	0.004805211148273064	0.0	0.0	0.0	0.0	0.0	0.0	0.0010041829012231364	0.0	0.0	0.0	0.0006814894475488595	0.010050737603840568	0.06797167154581883	0.0	0.06181196890903935	0.0219253068964621	0.0	0.0	0.0002909129567026238	0.0	0.0	0.0017559363763628266	0.0003248919811146127	0.0	0.0	0.0	0.0	0.010880864129093127	0.010375591290741013	0.0	0.0	0.0032107198824899586	0.03603111942291583	0.0	0.0	0.0	0.0	0.0	0.002678301224288577	0.0	0.0	0.013336405888168706	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008361195360254384	0.005914224304208888	0.05092135623791924	0.011793220821958992	0.03491650191682505	0.0	0.0	0.0	0.0	0.0	0.0	0.009765268859469326	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0031958520186049174	0.0	0.0	0.010537566363128716	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005601669494531245	0.0010364235986976048	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002691770452178261	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007532959951512409	0.0	0.0	0.0008999250337015895	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004627737225299216	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2,7,9-Tetrachlorodibenzo-p-dioxin	0.005910762159305638	3.146677493072284e-05	0.0	0.0	0.0	0.0	0.0020784342125486875	0.00019325023782410325	0.0	0.00025215255001036967	0.006643047096748662	0.04961480320488982	0.0011509778910694228	0.0	0.0	0.030680131234258314	0.017157258211357107	0.0	0.014134418494191711	0.0	0.0019135215032425508	0.0	0.006886927845747572	0.0	0.0	0.0	0.005525805897167849	0.0	0.0066743179092828364	0.019975221185918518	0.0	0.0	0.0057276323215623235	0.012145733826711693	0.00981981446117933	0.0	0.0008592709823733282	0.0	0.0006450280787014677	0.0	0.0	0.0	0.009092799429892336	0.0	0.0003792320536088453	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00555728687482483	0.0	0.0	0.0	0.0005439724274869868	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003788607714438199	0.0	0.006231399839434913	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009811452534450042	0.0	0.0	0.0	0.0	0.0	0.0	0.02603536894133624	0.0	0.009305644718968645	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002911726961336366	0.0	0.0	0.0	0.0	0.0	0.0	0.008403872901413652	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02364252279166691	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0043864693243216395	0.0641190059958363	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005756768433074815	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4,4'-Trichlorobiphenyl	0.01234772033426943	0.0	0.0	0.0	0.0	0.0	0.06057993621022442	0.0	0.0	0.0	0.002498288411724132	0.0	0.0018502392845384003	0.0	0.0	0.00532919905675063	0.002183581693751176	0.0	0.0	0.0	0.0003596175443075647	0.0	0.10449308071801973	0.0	0.0	0.0	0.0	0.007990654432584909	0.0026250024044040493	0.009413384563996085	0.0	0.0	0.006484434005322074	0.0	0.0	0.0	0.00041552451597358196	0.0	0.0	0.0	0.0	0.0	0.019230506031831903	0.0	0.0010374966476879798	0.0	0.0	0.0	0.0	0.0	0.0	0.08866441298661976	0.0	0.0	0.1464572227470004	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013407733783182718	0.0	0.0	0.0	0.0	0.06952146769186857	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020127433722176933	0.0	0.0	0.0	0.0	0.0077928924437189245	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01041337237743993	0.0	0.0	0.0
+2,2',4,5,5'-Pentachlorobiphenyl	0.0028688686307341564	0.0	0.0	0.0	0.0	0.0	0.0010843101174291896	0.0	0.0	0.00022943852887255154	0.03511062488614659	0.007837656994769153	0.0002372547466564384	0.0	0.0	0.003199317174985093	0.004282101431273077	0.0	0.0	0.0	0.010083830627806429	0.012297822629082304	0.0036476122468926445	0.0	0.0	0.0	0.000413122434012684	0.0	0.03600139467971798	0.014321997043333022	0.0	0.0	0.010462077631535569	0.004407386690290163	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02658304762973123	0.0	0.0013907938023165558	0.0	0.0	0.0	0.0	0.0	0.0	0.06183718655632661	0.0	0.0	0.03027946387910522	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003366124687351132	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002651943877352616	0.004203401146093719	0.0	0.0	0.0	0.00537500411870753	0.005627486085301246	0.0013377255978588689	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016400295572999154	0.0	0.0	0.0	0.0	0.0	0.0	0.009751859146069011	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02207334907301999	0.0	0.0	0.0
+2,3',4,4',5-Pentachlorobiphenyl	0.005272531750660475	0.0	0.0	0.0	0.0	0.0	0.0008541072028870985	0.0	0.0	0.00017355337933227323	0.029881951278905517	0.0	0.00017529894449724807	0.0	1.3549130322003179e-05	0.0023201916095688586	0.006682552617031984	0.0	0.0	0.0	0.0063885486444626525	0.016700562021873144	0.0020634410784824493	0.0	0.0	0.0	0.0	0.0	0.03076635167458817	0.012173858623810806	0.0	0.0	0.00701187893572897	0.0038143630957912077	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021023762331323314	0.0	0.0013188451985341573	0.0	0.0	0.0	0.0	0.0	0.0	0.04013706332052374	0.0	0.0	0.02001775407376647	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0026244929167308965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034289857595538858	0.0	0.0	0.0	0.00562937402573467	0.0026888885853117053	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012879308192545406	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022628413838619257	0.0	0.0	0.0
+2,2',3,4,4',5'-Hexachlorobiphenyl	0.022306687523246625	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002852652334878661	0.0037645784335989937	0.0	0.00022693306383298292	0.0	2.7968757024476756e-05	0.009014743952757434	0.005580846692492096	0.0	0.00027480038793421796	0.0	0.008829852491765381	0.007358825502336863	0.0038219052457988964	0.0	0.0	0.0	0.0005925800014369406	0.0	0.00019091749336124853	0.012541108661470377	0.0	0.0	0.007440906341643582	0.01870764495620074	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007677461979255875	0.0	0.003878410832925438	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005277280608094296	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002726329590003501	0.0	0.0	0.0	0.0	0.0	0.0	0.0035113815757952835	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00024375995712116888	0.004666952387311749	0.0	0.0	0.0	0.30013913665577774	0.0	0.0004133410590690281	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00634695308783907	0.0	0.0	0.0	0.0	0.0	0.0008797668872734727	0.0	0.0	0.0	0.01099665752598895	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0058087193009209205	0.0	0.0	0.0
+2,2',4,4',5,5'-Hexachlorobiphenyl	0.030294834338608898	0.0	0.0	0.0	0.0	0.0	0.0	9.303201818305505e-05	0.0	0.00030040545092347164	0.0038751399334001606	0.005489730059024417	0.0008152403785894925	0.0	2.80426217323758e-05	0.00990847558731773	0.01472887219721716	0.0	0.0002700366431617989	0.0	0.016076612242312664	0.01116334522690129	0.004576484784760191	0.0	0.0	0.0	0.0005824185291904033	0.0	0.0002695191009982444	0.013107913934777253	0.0	0.0	0.007553414674009088	0.016216809419452284	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008282600378630859	0.0	0.004046101862071417	0.0	0.0	0.0	0.0	0.0	0.0	0.00248903263843806	0.0	0.0	0.0052435294458853645	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002911080731977052	0.0	0.0	0.0	0.0	0.0	0.0	0.006799194458051794	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002835079004085872	0.004741577133947902	0.0	0.0	0.0	0.30890539007051365	0.0	0.00038364530018523307	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00587273993660863	0.0	0.0	0.0	0.0	0.0	0.0005549754177181276	0.0	0.0	0.0	0.02234995188475374	0.0	0.0	0.0	0.0	0.0	0.0	0.00927495469926818	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008200195678103988	0.0	0.0	0.0
+2,2',3,4,4',5,5'-Heptachlorobiphenyl	0.031147730496681337	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.981982294157336e-05	0.0	0.006550460333298445	0.0001817531468498137	0.0	2.7577314064323193e-05	0.010336742138865464	0.002834983286759117	0.0	0.0015277578409961705	0.0	0.01569776152907041	0.004074876602831062	0.009526908539283667	0.0	0.0	0.0	0.0005177037029174263	0.0	0.0	0.021922720806305706	0.0	0.0	0.016391468522076118	0.022282706598157263	0.0	0.01659246460183863	0.0	0.001842683175021967	0.0009705693879566032	0.01628013107677403	0.0	0.0	0.000908784000444583	0.0	0.00036103591460874345	0.0	0.0	0.0	0.0	0.0	0.0	0.007060694147293945	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029061084895180946	0.0	0.0	0.0	0.0	0.0	0.0015401456650046398	0.0040892008765005036	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0022109639087705183	0.0018297491012215948	0.0	0.0	0.032312121418821595	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013973622350713746	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026443247907848858	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',5,5'-Tetrachlorobiphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.000578072882667622	0.0	0.0	0.0	0.015366099630864244	0.008297779977219377	0.022718926630859674	0.0	0.0	0.006385007562453227	0.00687888249366312	0.0	0.0	0.0	0.0013525386971367447	0.0	0.0052236738405374485	0.0	0.0	0.0	0.0	0.004510543468205055	0.01674946481246939	0.01454038908606138	0.0	0.0	0.008477582005783333	0.0	0.0	0.0	0.0006061271832328316	0.0008843448759629214	0.0	0.0	0.0	0.0	0.04198076121486497	0.0	0.019853368251497805	0.0	0.0	0.0	0.0	0.0	0.0	0.005224386723273028	0.0	0.0	0.020936478037548275	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001098472299220429	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007573747928444581	0.0	0.0	0.0	0.0	0.0029478980573548314	0.008482178264603062	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012889942352717116	0.0	0.0	0.025731472250289822	0.0	0.0	0.0	0.03546345912941118	0.0	0.0004069850709778341	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.039888533886071394	0.0	0.0	0.0
+2,3',4,6-Tetrachlorobiphenyl	0.001297389083007199	0.0	0.0	0.0	0.0	0.0	0.0005630762058481698	0.0	0.0	6.0500724147697454e-05	0.015085037865183684	0.007171332871761951	0.01757078376535474	0.0	0.0	0.0020885346718200345	0.0	0.0	0.0	0.0	0.002959380961701842	0.0	0.0053857345740185416	0.0	0.0	0.0	0.0005739030023706088	0.005038249335457148	0.01632303824929122	0.012711826686685797	0.0	0.0	0.006988653856163529	0.0	0.0	0.0	0.0003635006957123123	0.0	0.0	0.0	0.0	0.0	0.11361035923831861	0.0	0.015310363514414926	0.0	0.0	0.0	0.0	0.0	0.0	0.003033229540319018	0.0	0.0	0.015286247065337497	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002637901645331238	0.0	0.0	0.0	0.0	0.001028451109742066	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005437151686181171	0.0	0.0	0.0	0.0	0.0	0.0029721667536032996	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016647937910299231	0.0	0.0	0.0	0.0	0.0	0.0	0.007709577544338547	0.0	0.0	0.03141536910977101	0.0	0.0	0.0	0.02517459322545055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0355060223045928	0.0	0.0	0.0
+2,3',5',6-Tetrachlorobiphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.0005518892322919211	0.0	0.0	0.0	0.015195053230753248	0.0	0.01150565796854772	0.0	0.0	0.0056324707601728054	0.0	0.0	0.0	0.0	0.0011906706619156848	0.0	0.0010430168983816726	0.0	0.0	0.0	0.0	0.0	0.01656155264161581	0.012968372615710756	0.0	0.0	0.006627086948024231	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03874282970241185	0.0	0.016414142693583204	0.0	0.0	0.0	0.0	0.0	0.0	0.003066096789079786	0.0	0.0	0.013149780565280534	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005206406962728929	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004332100337716698	0.0	0.0	0.0	0.0	0.0	0.002470343205856666	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010803304391258347	0.0	0.0	0.023778825710229927	0.0	0.0	0.0	0.02284632753559169	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03939988541604034	0.0	0.0	0.0
+2,2',3,4',5-Pentachlorobiphenyl	0.0034153209846922213	0.0	0.0	0.0	0.0	0.0	0.001145277583336777	0.0	0.0	0.0002564794591724098	0.03910614104755161	0.00772069918695798	0.0012377189172929999	0.0	1.7422011665853996e-05	0.003523938996815343	0.010248569924734179	0.0	0.0	0.0	0.011583534031229532	0.011708367914487773	0.004233856307853588	0.0	0.0	0.0	0.0	0.0	0.040170521641179985	0.013933795675092377	0.0	0.0	0.007435783370664461	0.004622276392212563	0.0	0.0	0.00030004748269029166	0.0007175486874226128	0.0	0.0	0.0	0.0	0.030694010967087695	0.0	0.0014708065606248162	0.0	0.0	0.0	0.0	0.0	0.0	0.06502173196404794	0.0	0.0	0.031327094895077165	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005496763446303225	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00029767107062427846	0.004019615253572601	0.0	0.0	0.0	0.005437764107428792	0.005952891676221905	0.0017054084524843578	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034617848261329844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018083940343097796	0.0	0.0	0.0	0.0	0.0	0.0	0.009122372694625402	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026783265727985884	0.0	0.0	0.0
+2,3,3',4,5-Pentachlorobiphenyl	0.002798310062105794	0.0	0.0	0.0	0.0	0.0	0.0009593123763167423	0.0	0.0	0.00021459193558519342	0.034503268130493696	0.0	0.00018349555979935538	0.0	1.4839284246737148e-05	0.0026652142605322468	0.004380677039627799	0.0	0.0	0.0	0.008095634761632628	0.014970756743813955	0.003253904069373138	0.0	0.0	0.0	0.0	0.0	0.03530660726787881	0.010110907526359219	0.0	0.0	0.0047226957369094465	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.029383799807817832	0.0	0.0014589061369266495	0.0	0.0	0.0	0.0	0.0	0.0	0.04761979498436791	0.0	0.0	0.021922213226174245	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002702023285867746	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0035751789206953165	0.0	0.0	0.0	0.010334936284534189	0.0033030352580030566	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011479312482082926	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01950023257204721	0.0	0.0	0.0
+3,3',4,5,5'-Pentachlorobiphenyl	0.005063648676598845	0.0	0.0	0.0	0.0	0.0	0.0008204353628537148	0.0	0.0	0.00021811635239205344	0.02900912695969357	0.0	0.00015680431022276075	0.0	1.4969935168016667e-05	0.00256683622190622	0.006507634676549565	0.0	0.0	0.0	0.008662527826628602	0.01652377343427454	0.0020270516107914883	0.0	0.0	0.0	0.0	0.0	0.02981324611136231	0.011118767656556354	0.0	0.0	0.00586235214944116	0.0036340372804181766	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022908717746533747	0.0	0.0014084743330134352	0.0	0.0	0.0	0.0	0.0	0.0	0.041210843872896336	0.0	0.0	0.020483449318040522	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029214192976042583	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033943992888028377	0.0	0.0	0.0	0.009300099220483048	0.003582445186547901	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012402225803393186	0.0	0.0	0.0	0.0	0.0	0.0	0.007450728536126961	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020310840758694458	0.0	0.0	0.0
+2,3',4,4',5',6-Hexachlorobiphenyl	0.013025308688943141	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00031073567383742404	0.0035993770182025215	0.005744346292392992	0.0007611234867428847	0.0	2.425643034008288e-05	0.00565975467301796	0.008399838726127408	0.0	0.00024943456573099177	0.0	0.008252944192729332	0.00288025759700581	0.0043984542072235105	0.0	0.0	0.0	0.0004932273919859864	0.0	0.000306945341907944	0.011117947178678776	0.0	0.0	0.011957641435555956	0.014507126028719727	0.0	0.0	0.0	0.0	0.0	0.007788583956862698	0.0	0.0	0.0008578564728691791	0.0	0.003471577523403271	0.0	0.0	0.0	0.0	0.0	0.0	0.0022676322936175616	0.0	0.0	0.00468662150205512	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0030215482383553127	0.0	0.0	0.0	0.0	0.0	0.0	0.00605407166873256	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004223776407100562	0.00087537099226368	0.0	0.0	0.2638969973707253	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005873432659459298	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02418776056315506	0.0	0.0	0.0	0.0	0.0	0.0	0.007513209656523302	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009338899754433616	0.0	0.0	0.0
+2,3,3',4,5,6-Hexachlorobiphenyl	0.009847880896196764	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003136969718753179	0.002819479545235746	0.00823117257998423	0.0001717925494171102	0.0	1.1438391475847562e-05	0.005730075096867736	0.0014916890121793092	0.0	0.0	0.0	0.023493842668542656	0.002133134975440209	0.002857683753943565	0.0	0.0	0.0	0.0004814018457280077	0.0	0.00031608064427768323	0.00523177417039039	0.0	0.0	0.0004989847313791274	0.00745660658295945	0.0005403514857893315	0.0	0.0	0.00374585628029306	0.0	0.0	0.0	0.0	0.0007921542142166535	0.0	0.004382397616048382	0.0	0.0	0.0	0.0	0.0	0.0	0.00246876677387226	0.0	0.0	0.00892748331325485	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0028292949685174607	0.0	0.0	0.0	0.0	0.0	0.0	0.0066727583002690475	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00029994643005094244	0.003745161462113989	0.0	0.0	0.0	0.2895791177253433	0.0	0.00040584393392501504	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0049386215813335905	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020652249846568025	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004477138970023466	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009616843939959065	0.0	0.0	0.0
+2,3,3',4',5',6-Hexachlorobiphenyl	0.012067867952301267	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003429087333211456	0.0033909471662028697	0.005844681450931428	0.00022598738407969378	0.0	2.593552156545481e-05	0.0063827376447711396	0.008695277770147065	0.0	0.00031470676656721665	0.0	0.013636202610111593	0.0022146038380248256	0.004255311648501047	0.0	0.0	0.0	0.0004896750717036718	0.0	0.00031100113418913234	0.013050864728412364	0.0	0.0	0.00666258592892809	0.015404677602859658	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008469270833704707	0.0	0.003591879720737347	0.0	0.0	0.0	0.0	0.0	0.0	0.0022264784815347743	0.0	0.0	0.005284286129625424	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029817223194026324	0.0	0.0	0.0	0.0	0.0	0.0	0.006412907454368633	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00419396896069788	0.0	0.0	0.0	0.25876572492594413	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0055444457305277774	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021667251598897586	0.0	0.0	0.0	0.0	0.0	0.0	0.007420077431358285	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009462298393759385	0.0	0.0	0.0
+2,3,3',4',5,6-Hexachlorobiphenyl	0.0063704457153075204	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003444664707585156	0.0	0.0	0.00010614653889965267	0.0	2.340396498380637e-05	0.005722840165520722	0.006263684915687199	0.0	0.00031172480353655835	0.0	0.006725664373724195	0.0	0.003705387293467688	0.0	0.0	0.0	0.0	0.0	0.0	0.007847719557593277	0.0	0.0	0.00504115524452821	0.009482465388033906	0.0	0.0	0.0	0.0	0.0	0.007818565007135372	0.0	0.0	0.0	0.0	0.004026688681585152	0.0	0.0	0.0	0.0	0.0	0.0	0.0015655778137159493	0.0	0.0	0.003837948545624391	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017325651197079579	0.0	0.0	0.0	0.0	0.0	0.0	0.006838191271224174	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004454176142649979	0.0008787406088553036	0.0	0.0	0.2724915332159142	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005152239387284412	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.024014856912221813	0.0	0.0	0.0	0.0	0.0	0.0	0.006130424132736977	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+trans-Fenvalerate	0.0009026953307986461	3.18575792646419e-05	0.0	0.0	0.0	0.0	0.00014378971176144038	0.00041994216135970026	0.0	0.00014730549166766657	0.02986708494849331	0.0	0.01661499135566416	0.007761459804358284	0.0	0.2815012587842042	0.00038152681015796603	0.0	0.0	0.0010039142141688745	0.0	0.0	0.0010058125960023996	0.00041636725722065087	0.0	0.018428905833722267	0.0009630638848384415	0.0	0.011344229261701342	0.0	0.0	0.0	0.010012694596962407	0.04586414995612906	0.0	0.0	0.01748475925334339	0.017616130029032544	0.00048473414416880673	0.24745410343639407	0.0	0.0	0.018196548241037978	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017873813053853504	0.0	0.0	0.0	0.027953619598551308	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0030312613173514606	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007755529613136127	0.0	0.0	0.0	0.0	0.0	0.0	0.0096920046498089	0.033489654950156586	0.02734306298631899	0.02242567043232927	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016452802280699848	0.0	0.0	0.0	0.0	0.0	0.0	0.0018676029102957696	0.015977081472044588	0.0	0.006702623551075839	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.6398503673797634	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+1,2,3,4,6,7,8-Heptachlorodibenzofuran	0.0080824554735463	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02396240992025833	0.0	0.0	2.4884268699726122e-05	0.0	0.0016839916105885417	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005441567811289483	0.050524789829497874	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00010129241935514712	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001359911758504674	0.0	0.06562427201103854	0.0034281966659840744	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019628377180987856	0.0	0.0	0.007014841097885771	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002534619243386572	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001182110915639192	0.0	0.0	0.0019516905966347614	0.0	0.070265148124734	0.0	0.006526045649197426	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,7,8-Tetrachlorodibenzofuran	0.009248295452105024	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010846242546263407	0.0006171064402500942	0.0	0.0	0.021625328377553668	0.016870364014682802	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012213304904867442	0.0	0.0	0.005603198689090614	0.0	0.0	0.012394768492197165	0.0	0.005186367569377749	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002009718291643183	0.0	0.00021042472757833275	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028926635504971175	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011653392089634005	0.010121550247880973	0.0	0.0	0.0	0.16622934606446974	0.03540088842618178	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005055689030925685	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007141191253012043	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,7,8-Tetrachlorodibenzo-p-dioxin	0.009876802335325674	0.0	0.0	0.0	0.0	0.0	0.0001154274809307152	0.00011662388234797489	0.0	0.0	0.0002787430943776834	0.05823305407694716	0.0003633001612408516	0.0	0.0	0.0006628188672883853	0.012080478390423432	0.0	0.012730693962023667	0.0	0.001117272059693968	0.0	0.003114125455329355	0.0	0.0	0.0	0.0	0.0	0.0001058732572391874	0.023372334630660914	0.0	0.0	0.0	0.0	0.018259590059448164	0.0	0.0004932465274026431	0.0037205539629055298	0.0	0.0	0.0	0.0	8.976497826674076e-05	0.0	0.00019535974825429266	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005183710457552755	0.0	0.0	0.0	0.008242734524252393	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015701659920300108	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0018341647941319656	0.0009250783894733863	0.0	0.0	0.0	0.0	0.009029749498863798	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017893334708427963	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005971586167505447	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03384809399004122	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2,3,7,8-Pentachlorodibenzo-p-dioxin	0.0036347424776785957	0.0	0.0	0.0	0.0	0.0	0.0	0.00012432173605692837	0.0	0.0	0.0	0.033799682217152155	0.001923378231647877	0.0	2.275352423694693e-05	0.0075005068260984254	0.0064608644401717985	0.0	0.013570993716757542	0.0	0.0017599018972966677	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004467700475438639	0.0	0.0	0.0	0.0	0.012737517342678676	0.0	0.011305057984084621	0.026158013730422626	0.0	0.0	0.0	0.0	0.0	0.0	0.0002562925137724543	0.0	0.0	0.0	0.0	0.0	0.0	0.0012844393567289654	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011709143418320665	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006236895376762513	0.001025728110863932	0.0	0.0	0.0	0.0	0.0	0.008517712701760704	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00804583781868696	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,4,5-Tetrabromo-6-chlorotoluene	0.022934414921591536	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016499284455384435	0.00042993517347069397	0.008179095488852869	0.0	0.001350575755722857	0.0023350755744658567	0.0	0.008252826704511971	0.0	0.0	0.010706717001552712	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05429510731584733	0.0	0.00934533438881601	0.03288580193210993	0.0007625809961241475	0.003870190060310391	0.0	0.0	0.0	0.0	0.0033124878163697516	0.0	0.0004919092211507662	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005182359788713972	0.0	0.0	0.0005917985532709253	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0018120232842767493	0.0	0.0	0.0	0.018480922083570512	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010487690616320775	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0024124161833822136	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,4,5,6-Pentabromotoluene	0.010150245505486823	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.032112682641999124	0.0	0.012641410964081482	0.0	0.0	0.012784984442726395	0.0	0.019504746728346692	0.0	0.0	0.024468911017067198	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05594193904536546	0.0	0.0	0.1350710579626696	0.0	0.006697928606010726	0.0	0.0	0.0	0.0	0.0	0.0	0.0005502450340547031	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002579214283192021	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0946950162488941	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019963778701371775	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.032682863992618404	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,4,5,6-Pentabromoethylbenzene	0.04343503372716241	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.029122637545101412	0.0	0.003007083460730176	0.0	0.017206418740940883	0.005348800794730284	0.0	0.013762504370899145	0.0	0.0	0.007681871771482662	0.0020749708148985976	0.0	0.0	0.0	0.0	0.0	0.0	0.02137785866126922	0.0	0.0	0.023137872746476527	0.0	0.0	0.02428391162910723	0.0	0.003873321840336593	0.0	0.0	0.0	0.0	0.00013089985642870887	0.0	0.0014591090596925722	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0045672346636185185	0.00045508598063684406	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007371362152084365	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00717498724187145	0.041084091692047194	0.0006854912402068462	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002439316232850178	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003660059665869462	0.0	0.0	0.012339637174687383	0.017012328973400062	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022873858428215866	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,5,6-Tetrabromo-p-xylene	0.023965403576984404	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0049992644057516	0.0009776746625753058	0.0	0.0	0.0	0.0019404991082618075	0.0	0.0013014879140087765	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013073454294893632	0.0	0.0	0.015540799092754817	0.0	0.0	0.0	0.0	0.0023955233255645593	0.0	0.0	0.0	0.0	0.0005266399420275653	0.0	0.0016721343759921832	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004619695870797416	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007837813852981647	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03134103357912419	0.00019784088010281226	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02503627129208341	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004437232191983021	0.0	0.0	0.005874426662368231	0.01969567299160482	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Allyl 2,4,6-tribromophenyl ether	0.02115741085210959	0.002543393622034804	0.0	4.637697863417302e-06	0.0039010304222501925	0.0	0.003566793527012253	0.0001597807771776356	0.0	0.0004010118454488136	0.000203728943366344	0.017067654076577794	0.003234461867270302	0.21690244635153905	1.1999305101184117e-05	0.023926546384659627	0.005883651615637174	0.0	0.0	0.0	0.010572300506002268	0.06571493640420596	0.00853237369646807	0.0011245067720496824	0.0	0.0	0.0005235531879046683	0.0	7.738109844926679e-05	0.011521274470975338	0.0	0.0	0.015511706051564045	0.0034404924986262933	0.009440136212590605	0.0	0.009931427761190142	0.006638642727107012	0.0	0.0	0.0	0.0	0.044155901773987115	0.0	0.0002614248052046148	0.0	0.0	0.0	0.0	0.0	0.0	0.0022195361313549797	0.0	0.0	0.0011403000797369917	0.0	0.00836344084006834	0.0	0.011587443571502416	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0061467483140977865	0.0	0.0	0.0	0.011196993155925747	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008956733621261043	0.02442046016279949	0.002815997284053845	0.010669854556482845	0.0	0.0	0.004689161930766224	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00048258182455305186	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006522892011134458	0.0	0.0036798758455904956	0.007065835765304233	0.005356608747857921	0.015714895647135924	0.0	0.0	0.0	0.0	0.0	0.022888401909636154	0.0	0.0004396283076430941	0.022581559264595912	0.012827651746770967	0.007086387401451804	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005622611793458493	0.0	0.0	0.0	0.0	0.011512003398290737	0.0	0.0	0.0	0.0	0.0	0.0005799179400975547	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-Bromoallyl(2,4,6-tribromophenyl) ether	0.02276750432571312	0.0029539569653702163	0.0	0.0	0.0	0.0	9.089493726332647e-05	8.848919390266587e-05	0.0	0.0	0.0	0.022801157736404707	0.0005620018189042437	0.029660500810628595	1.037448775968319e-05	0.0010718385720112438	0.013659809176325075	0.0	0.0	0.0	0.005267072640479346	0.11311229152083695	0.004770347959896968	0.0	0.0	0.0	0.0004105172892834644	0.0	0.0	0.0	0.0	0.0	0.0015489252721658752	0.0	0.006647826141492075	0.0	0.009337374647054489	0.0029983296740859174	0.0	0.0	0.0	0.0	0.006705885659545784	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00583052297054055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003585079268751228	0.0	0.0	0.0016866786690242338	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018344871430389514	0.0013320468913078124	0.005926753137952631	0.0	0.0	0.07790344796992109	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014248016138737106	0.0	0.0	0.0	0.006399449867898055	0.0	0.0	0.0	0.0	0.0	0.0	0.00540278928764357	0.0	0.0	0.0	0.008100673468224353	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012281525347698854	0.0	0.0	0.0	0.0	0.05184992975651231	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Pentabromobenzene	0.006584172293187269	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01298458938755215	0.0	0.009374159611670006	0.0	0.07914093938618491	0.0	0.0	0.009568992054598198	0.0	0.0	0.0	0.016023599771901948	0.0	0.0	0.0	0.0	0.0	0.000336788946573557	0.003506719539218602	0.0	0.0	0.0	0.0	0.0	0.010077637536154805	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014230139244713073	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00685880070530667	0.0	0.0015726040702610056	0.0011664619565786563	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006356879326463544	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005161919408948977	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01024689995587239	0.0	0.0	0.0
+Hexabromobenzene	0.031003328887381394	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00245330230328646	0.0	0.003506203421876124	0.0	0.016033864010285555	0.0	0.0	0.04884183718238881	0.0	0.0	0.0	0.006018755892477353	0.0	0.0	0.0	0.0	0.0	0.0	0.003505606591469383	0.0	0.0	0.0	0.0	0.0	0.03215504058331817	0.0	0.0003860215160804293	0.0	0.0	0.0	0.0	0.0	0.0	0.0001918163253530823	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018876073872926762	0.0	0.03392947733344389	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010672289636345754	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019984079759577545	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02622563119506997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0064883070133907395	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,4,5,6-Pentabromobenzyl alcohol	0.024425949832356957	0.0	0.0	3.5930641562187136e-06	0.0	0.0	0.004813794900125753	0.00015415163292839938	0.0	8.012354461100952e-05	0.002339894941463004	0.037371785447831936	0.0010056367357782093	0.06283047239894295	3.5247798756836515e-05	0.025099442313838864	0.01694441475414425	0.0	0.024694239266604964	0.000263319460781438	0.0	0.07003350703850979	0.014683540147177446	0.002158740168474173	0.0	0.0005266010984902207	0.0012893170727486145	0.0	0.003788121607761582	0.0499927953017042	0.0	0.0	0.031801446496063715	0.015660776594130506	0.0005431524635392942	0.18423443680035378	0.00043201157116519917	0.004365658985267957	0.0010380963467562304	0.008345075118046255	0.0	0.0	0.038776910622614784	0.0	0.0014498716029099112	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0032236072697436413	0.014785897733354883	0.00026219833963882406	0.004956304026360655	0.0011907323776455126	0.0002559242880709588	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016975958180806484	0.0	0.0	0.0	0.004213709887908498	0.0	0.004270648402069431	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0113068168947491	0.0	0.0	0.0	0.04103215918929575	0.002298674657573036	0.0006105044158240535	0.0	0.0140577082655617	0.03041027751114368	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010556194775620822	0.0	0.0	0.010045492660557804	0.00893189244548131	0.0	0.0	0.0	0.0	0.0	0.0	0.004279685462342753	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013476725764839714	0.0	0.007183794511639726	0.004603420451239057	0.0	0.018632788762370324	0.0	0.0	0.0	0.0	0.0	0.0	0.03076194856515047	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014017986658129632	0.015681074606298657	0.0	0.0	0.0	0.0	0.0	0.0005051762442055345	0.0	0.0	0.0	0.006881300529099643	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	0.02151379027499435	1.092635628989639e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000373354248872889	0.00243131216537706	0.05017096768823407	0.0013081868672834163	0.00636468286869797	1.27171151579788e-05	0.057245761046260606	0.0006565031494853704	0.0	0.0	0.0	0.0	0.0	0.018254849671652425	0.0012014187377837424	0.0	0.0	0.00036853192245654747	0.0	0.0024427570800116065	0.012404534978094371	0.0	0.0	0.007230315034391396	0.0	0.0	0.0	0.013597301450168691	0.0	0.0005129733825910398	0.0	0.0	0.0	0.01734622959275569	0.0	0.002825416965846846	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005598571572582525	0.00035968324935027244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007333441426089943	0.0	0.0	0.0	0.0004394613687662596	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0222117465432025	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015308519217992484	0.0	0.0	0.0	0.0	0.0	0.0	0.009133889104323419	0.0	0.0	0.0	0.0	0.0	0.0015217018622553948	0.008827242016515925	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005402947459117644	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+syn-Dechlorane plus	0.05860473759397054	0.0	0.0	0.0	0.0	0.0	0.0	0.00020041278792291194	0.0	0.0	0.0023863122370387613	0.01526815597968843	0.0006707576505630778	0.0	2.4607175920045312e-05	0.00624800815713686	0.007294894410793032	0.0	0.0015055361414485569	0.00036323116292052656	0.0076686792730345215	0.009291562435571131	0.00875341098617687	0.0005869558158500087	0.0	0.0	0.0	0.0	0.009721253026249614	0.0	0.0	0.0	0.0	0.004881069639013265	0.012413123526111116	0.0	0.0	0.0014628485308251869	0.0	0.0	0.0	0.0	0.024100228680972353	0.0	0.00030519271926746625	0.0	0.0	0.0	0.0	0.0	0.0	0.0008269779821653882	0.0	0.0	0.0	0.0014132988173812346	0.007876874186089983	0.00857519463563657	0.0004431653756354043	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0059968255096158	0.0	0.0	0.0	0.004413852110284324	0.0	0.004119703374662668	0.0005775197226729641	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.025042501518750676	0.0	0.0	0.0	0.040117017016695636	0.0061022839787341345	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007580790092332382	0.0	0.0	0.0	0.0053167196150211106	0.00848994402749211	0.0004879875983509168	0.042521818833679	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013522524334592606	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+anti-Dechlorane plus	0.049537210102118194	0.0	0.0	0.0	0.0	0.0	0.0	0.00023383940470075902	0.0	0.0	0.0025409001002600863	0.012290196465918212	0.0006763763838580383	0.0	2.121513096771404e-05	0.005222921929912121	0.008284686618690083	0.0	0.001592813951552911	0.000408046973636986	0.00829665801047374	0.01051912356215132	0.0042738895126775405	0.000372091446609339	0.0	0.0	0.0	0.0	0.011216213228930376	0.0	0.0	0.0	0.0	0.0014129785592108376	0.013184189800531128	0.0	0.012647184001853608	0.0014654342519110014	0.0	0.0	0.0	0.0	0.02128155035350382	0.0	0.0003535118495016807	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005740159085426668	0.001428685746510719	0.011436717149983946	0.009243069145156548	0.010733884422603923	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011059916921551371	0.0	0.0	0.0	0.0030771517123079563	0.0	0.005644120386012231	0.008723127641680381	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01698007726080787	0.0	0.0	0.0	0.037975720170073606	0.0036586279905231494	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007359155315141063	0.0	0.0	0.0	0.0	0.011551426065977699	0.00043326264346285723	0.040738883283602506	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018526274424665368	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	0.047745508040002875	0.0	0.0	0.0	0.0	0.0	0.011731947150700273	0.0	0.0	0.0	0.0	0.0	0.016780686277575355	0.0013730163742681895	1.9179411947159324e-05	0.0	0.0072564567808371455	0.0	0.0	0.0	5.773127885153986e-05	0.0	0.021738235317062978	0.00045583284524559697	0.0	0.0	0.0	0.0	0.009802211120352292	0.0	0.0	0.0	0.0036787997147275458	0.001393583216987252	0.0	0.0	0.0	0.001705650173482539	0.0	0.0	0.0	0.0	0.0018504750674567672	0.0	0.00016296482691822997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11316164871728084	0.0	0.03710696541153247	0.001990835957788944	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0028600253795186656	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12179999313698674	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2982350748695147	0.0	0.0	0.0
+beta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	0.048779255207690636	0.0	0.0	0.0	0.0	0.0	0.012032412863582156	0.0	0.0	0.0	0.0	0.0	0.01728652011908183	0.0014292515390416565	2.1384788210218554e-05	0.0	0.0	0.0	0.0	0.0	5.8850304792384366e-05	0.0	0.02234572949650631	0.00039403488090432797	0.0	0.0	0.0	0.0	0.009558428913519445	0.0	0.0	0.0	0.003311382307583798	0.0015214328269249925	0.0	0.0	0.0	0.0019113131549877583	0.0	0.0	0.0	0.0	0.001957905314229773	0.0	0.0003318076071631366	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11245518564363254	0.0	0.036441377210814224	0.0008296551404384756	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008845012664110242	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002995653881737531	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11961526481494647	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2908179315521571	0.0	0.0	0.0
+1,2,5,6-Tetrabromocyclooctane	0.02151833518551073	0.0	0.0	0.0	0.0	0.0	0.008884460914237814	0.0	0.0	0.0	0.0	0.0	0.00749788327298074	0.0006164611678041724	3.4742268088045795e-05	0.0	0.010473211388156106	0.0	0.0	0.0	0.0	0.0	0.017126266479637435	0.0006289207163865309	0.0	0.0	0.0	0.0	0.007327097098573717	0.0017944044995989443	0.0	0.0	0.0048734751833613065	0.005673298039263335	0.0	0.0	0.0	0.006525121359466207	0.0	0.0	0.0	0.0	0.004050685440132016	0.0	0.0001938323168052901	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12878575285011812	0.0	0.025423425164551317	0.0019235538155592702	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008473657662274793	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08344991233367367	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.22292902335394713	0.0	0.0	0.0
+1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	0.07544311775615496	2.1554097337214634e-05	0.0	0.0	0.0	0.0	0.004476156327391039	0.000624833083013267	0.0	0.0	0.004839973262384625	0.018179557377094212	0.0041903901710843875	0.007765103314863916	4.679776726607526e-05	0.02280305302309935	0.02880796128824614	0.0	0.002550478504514741	0.0010529026669397882	0.012288758985971945	0.0034414114972485996	0.012613158131340325	0.0009239533406561167	0.0	0.0	0.0	0.006937644664703274	0.01780653498562764	0.013481410229969968	0.0	0.0	0.006403350734139847	0.00956797220954505	0.012289289109410054	0.0	0.004878951939147481	0.011285077910601718	0.0	0.0005584710530534415	0.0	0.0	0.03261032134289626	0.0	0.0006481123545395597	0.0	0.0	0.0	0.0	0.0	0.0	0.0008020437932937167	0.0	0.0017434504884218714	0.012869720849892291	0.0046171631611049355	0.010168046140982363	0.011104369881906438	0.03570686405166801	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006256973913024701	0.0	0.0	0.0	0.02556586164864636	0.0	0.12971824728657946	0.02350279687592657	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011946834549748219	0.0	0.0002475518129888015	0.0065992671888791396	0.0	0.0026578459756412113	0.015172504534455511	0.004004272845364847	0.02180602885963309	0.0007122072610941133	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002835279555758159	0.0	0.0	0.0	0.013828684852539751	0.018530404163654247	0.002855301598774089	0.018124631305674637	0.0	0.0	0.01330011110537215	0.0	0.0	0.0	0.0	0.0	0.010933132133829633	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.4257874890609336	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-Amylcinnamaldehyde	0.0	0.00033448647274850044	0.0	0.0	0.0	0.0	0.0	0.004254629120888808	0.0	0.0	0.0	0.0	0.0008662849653517208	0.0	1.3685951013767946e-05	0.03328005746082279	0.0	0.0	0.0	0.0004231770221645741	0.017283272546958318	0.0	0.005424911360762596	0.0011481245172412589	0.0	0.0	0.0	0.005959635030386486	0.0005040573622505858	0.0	0.0	0.0	0.004713422755756396	0.07235994333154375	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002448119042202232	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00045427618356365634	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03402026397651376	0.0	0.0025864509567609228	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03692306195580555	0.03351878395068443	0.000914421608061577	0.0	0.005050544718817244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08464977074596425	0.0	0.0	0.00398638972588733	0.0	0.0	0.007119761752719298	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.041274886347303114	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07296653056610068	0.0	0.0	0.0	0.008489772884654292	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015336089309197698	0.0	0.0	0.0
+trans-Cinnamaldehyde	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2.042724010611074e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013164756569389396	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04127914375463015	0.0	0.0	0.0	0.0	0.051033930807696366	0.0	0.0	0.0	0.0	7.838600354091287e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16354709925325475	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08113304929586665	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011692030022979845	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Citral (Geranial)	0.0	0.0	0.0	1.3937089546568796e-05	0.0	0.0	0.0	0.0001817120136640522	0.0	0.0	0.0	0.0	5.2595074213360074e-05	0.0	0.0	0.012156539085767627	0.008879988654142856	0.0	0.0	0.0	0.0	0.0	0.0	0.008174891535609645	0.0	0.0	0.0018823038552561466	0.0	0.0	0.004349038125047038	0.0	0.0	0.018768070598487473	0.0	0.0	0.0	0.0016757240312735332	0.0	0.013483204621364098	0.0	0.0	0.0	0.004531169978350825	0.0	0.00028731814350641205	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026034634050984305	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013104436129488528	0.0	0.01104472601918435	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017203096394847624	0.2566208267622904	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003761725876650092	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01245273679459439	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03625323543483464	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1-Fluronaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002245049222424725	0.0	0.0	0.0	0.0	0.018309936356277836	0.0	0.0	0.0	0.0	0.0	0.0	0.16322097605321362	0.0	0.0	0.0	0.0	0.0	0.0016188652334291553	0.009038974167504151	0.0	0.0	0.059991007717804364	0.01394977322804013	0.0	0.0	0.0	0.0	0.0	0.0005504548045915662	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017184251406983787	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028342193452321054	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015498095599106037	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08182567725730706	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004192404396075477	0.0	0.04809627629316328	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-Hexylcinnamaldehyde	0.0	0.000321106702386146	0.0	4.061817158494714e-06	0.0	0.0	0.0	0.007109623175492087	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.032705302099716414	0.006744495545930207	0.0	0.0	0.00017522782921417806	0.002553098744512	0.0	0.005036403477632926	0.0026772199474907696	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007087386645360068	0.06120924562360029	0.0	0.0	0.0004883720234691664	0.0	0.0003632204427341487	0.0	0.0	0.0	0.0024686730673672726	0.0	5.084208134826163e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00037010118149256134	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02540657190069268	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03219631999278882	0.027067287008222436	0.0	0.0	0.004123382168190981	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06998448277163671	0.0	0.0	0.003613895899957732	0.0	0.0	0.0069230970272132365	0.0	0.0	0.0	0.0	0.013398740642002988	0.0	0.00044476933134661786	0.039659375642332594	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.060325324644223376	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Lilial	0.0	0.0007662294693904865	0.0	0.0	0.0	0.0	0.0	0.0013878185967495878	0.0	0.0	0.0	0.0	0.0	0.0	8.519065548391861e-05	0.021886964718208092	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00869380928790734	0.0	0.0	0.01504055058814937	0.025259190390125242	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009095257715872707	0.0	0.03377777678773107	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.030710385465982065	0.0004594393075448576	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13615654116472298	0.0	0.0027079254285388046	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013147677764280673	0.016686043371458126	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.14305855551718846	0.0	0.0	0.0016179874529256566	0.21349587333593734	0.0	0.0007176654935114618	0.0	0.0	0.0	0.0	0.0	0.0	0.008460410199458597	0.02331702718318223	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.170123335069098	0.0	0.0	0.0	0.008888500985019697	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-Amylcinnamyl alcohol	0.0	0.00011422466497068568	0.0	0.0	0.0	0.0	0.0	0.004689303232451949	0.0	0.0	0.0	0.0	0.0	0.0	0.0005805859933790689	0.026582207843773506	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010136119467006085	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012344441114821083	0.041843584431820284	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01065486330473605	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008337966060634338	0.0006073119586253893	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06304547437279866	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.09417643982008767	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2293394517123256	0.0	0.0	0.003135966868151542	0.00793771776606573	0.0	0.001459982466269134	0.0	0.0	0.0	0.0	0.0	0.0	0.033833062976898226	0.022018933187042445	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1976863488927758	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Eugenol	0.0007453523786324013	0.0	0.0	0.0	0.0	0.0	0.0	0.00031643016883273916	0.0	0.0	0.0	0.0	0.0007678617935700027	0.0	0.0003139742357208371	0.0010519615672910402	0.015253393850787026	0.0	0.0	0.0	0.0	0.0	0.0005245942718148155	0.0017238924245399133	0.0	0.0	0.011011687397051079	0.0	0.0013478596575063652	0.07602860148357836	0.0	0.0	0.0529011954036798	0.0	0.0	0.0	0.0	0.016621255749711503	0.0004717488398735575	0.0009684049291994953	0.0	0.0	0.28226121610299076	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0030231934807934333	0.0	0.0	0.007549038184039337	0.0	0.006990128848325965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.19372738945228246	0.0	0.009879728960892228	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17065900989282623	0.05914841862977445	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002881259742845024	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004861434950412406	0.03574619505645153	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017561055934213234	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03242924626916468	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Isoeugenol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000294125719199606	0.0	0.0	0.0021292065406192	0.0	0.0001190780091104083	0.0	0.00025903777086827177	0.00774337085265015	0.0	0.0	0.0	0.0	0.0	0.0	0.010829376008780617	0.0013589951036210323	0.0	0.0	0.008404531456360723	0.038633985822524225	0.005363866378861408	0.09220873088325268	0.0	0.0	0.055674742463638044	0.0	0.0	0.0	0.0	0.017321759723683057	0.0	0.0023168245838988354	0.0	0.0	0.21003282916565458	0.0	0.00023524381995916266	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007232727516138057	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11144752571056082	0.0	0.009079457822860904	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11481096479480447	0.006335241916412964	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03814543133617049	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.029802434347496454	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4-Methoxybenzyl alcohol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002871936438309722	0.0	0.0	0.001968770161876457	0.06637249041815786	0.0	0.0	0.0	0.0	0.0	0.0	0.0033108600892548154	0.0	0.0	0.016215087437958343	0.0	0.0	0.0	0.0	0.0	0.016807332837045608	0.0	0.0	0.0	0.0	0.0	0.039818369063287964	0.0	0.0	0.0	0.02751618462561273	0.0	0.00017164977176742523	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.22400850075479775	0.016283122516492225	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.023198020907076525	0.0	0.02901672027058031	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014349386054900035	0.3316368489450632	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004376969038241449	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.09524455289238339	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Methyleugenol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011721341942227436	0.0	0.0	0.0	0.0	0.0	0.0	2.7299739646334615e-05	0.008939696794950292	0.10846748668463196	0.0	0.0	0.0	0.0	0.0	0.0038009935140844355	0.0011432554340419791	0.0	0.0	0.0016700951276122226	0.0	0.024379778340962277	0.004420130438508155	0.0	0.0	0.05130514849022045	0.011736961528313864	0.0	0.0	0.0	0.0036428073046786114	0.0	0.012727036094570054	0.0	0.0	0.03423506294470319	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03973161576400922	0.0646789878217206	0.0	0.0	0.017114310790760725	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03847248924128277	0.0	0.08777196864578282	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.034535200397754685	0.006772903479567919	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004218951497553759	0.0	0.0	0.0	0.0	0.0	0.004057186563538506	0.2707562964523283	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00715294586482201	0.009719173179004711	0.0109218278670257	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2881029224597714	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Cinnamyl alcohol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002627805721097159	0.0	0.0	0.0	0.0	0.0	0.0	0.00015142191612179783	0.0025523468377053288	0.006974928756919872	0.0	0.0	0.0	0.0	0.0	0.0	0.0011660502604391727	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02351911265146153	0.04304720805253516	0.0	0.0	0.0	0.0027091088472974635	0.0	0.0	0.0	0.0	0.003891612823968301	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04385958023071166	0.0	0.00456629210880512	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019344885542543037	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007443821426901341	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08656562675967915	0.0	0.00628348191083623	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014988408277144828	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzyl alcohol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017134287601534492	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011286571210320402	0.0	0.0	0.0	0.0006268073422181805	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004186859532486878	0.0	0.06516540605833808	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019198033497030295	0.0	0.0	0.0	0.030259355016034613	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2138990866714136	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Estragole	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0023329995185996473	0.0	0.0	0.0	0.0	0.0001661128350667226	0.0	0.00016180760672886995	0.027826352724235528	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012954679773010612	0.0	0.0	0.0	0.0	0.0	0.028849063245681306	0.04014350675094429	0.0	0.0	0.0	0.0022541013348860457	0.0	0.0	0.0	0.0	0.07411242155930103	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17038486433911618	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06050321393132443	0.0	0.0027213172230262784	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022506183650133117	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003874914005217154	0.43447714315921127	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008923255860292145	0.03660262794120781	0.00629183087514917	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008932458243679262	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzyl benzoate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008295440001768536	0.00044153130229381075	0.0	0.0	0.0	0.0	0.0	0.0	0.00046024211436885166	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020325797711237218	0.0	0.0	0.0021616523672726936	0.0	0.0	0.0	0.0	0.0	0.0029351224606935433	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13364349962220282	0.0	0.004869868728929844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.046344888212083546	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026664436520571735	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01598486891028109	0.0	0.0	0.0	0.0	0.0	0.0	0.0006161677860243398	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzyl cinnamate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015603773240795227	0.0	0.0	0.0	0.0	0.006319780358419839	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008049418364071142	0.0	0.0	0.000909096771277215	0.0	0.0	0.0	0.006302252700023714	0.0	0.0	0.0	0.0	0.044718892294541665	0.018254401468948286	0.0	0.0	0.07460469207581258	0.023921465026728397	0.0	0.0	0.0	0.0	0.0034506930360349115	0.0	0.0012850368235224354	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021474681786981087	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04963388498044162	0.0	0.0021020559770118857	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07216420584406322	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0070446511427313145	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009581842977391355	0.02633762495344778	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010942766196091662	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006899793629959241	0.0	0.0	0.0	0.0	0.0	0.0	0.019922433650557566	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+trans-Chlordane	0.1709889053423956	0.0	0.0	0.0	0.0	0.0	0.0	9.791095167193877e-05	0.0	0.0	0.0	0.016508208001042773	0.0015999005459602577	0.0	4.5734216891839e-05	0.0005187952415918618	0.02025972342164272	0.0	0.012549531306477422	0.0	0.004901385350337731	0.0	0.0013627077982411098	0.0	0.0	0.0	0.0	0.014779178223313231	0.00022346910452940302	0.008544742885518956	0.0	0.0	0.006646648189408498	0.0037321054487469466	0.009210115793594055	0.0	0.0	0.0010300923426366786	0.004387416177260296	0.0	0.0	0.0	0.0021117757746199626	0.0	0.00046150508247077985	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004877273712755943	0.0	0.0005371719505993161	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0027968250204676477	0.004240683376953131	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002987429431853241	0.000607038583936623	0.0	0.0	0.0	0.0	0.015878069631575276	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010302433984155186	0.0	0.0	0.002385950653875271	0.0	0.007482534910706013	0.0	0.009242783584578466	0.0	0.0	0.002220512587183182	0.007181111768890468	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Endrin aldehyde	0.13060671456068035	0.0004326327545681579	0.0	0.0	0.0	0.0	0.00016844878813073754	0.00025784640371098256	0.0	0.0	0.000551580104973977	0.023150591676337446	0.0005303490824067693	0.03500988317184959	8.373921925896959e-05	0.011640480418148785	0.04644378863838637	0.0	0.020490413228088786	0.00042917145414455714	0.03432117368269934	0.0032537070665578124	0.003709060554326266	0.00041774203085105253	0.0	0.0	0.0006777121122722035	0.008566327509924386	0.019145186064623877	0.010589151300837572	0.0	0.0	0.023617669564027166	0.02288821171882279	0.01873632552072431	0.0	0.011750054420521643	0.006576987927297531	0.0	0.0011428528119419455	0.0	0.0	0.10187616623668908	0.0	0.0011323903875408033	0.0	0.0	0.0	0.0	0.00025533739524641655	0.0	0.0	0.0	0.0	0.044325765473999815	0.0	0.02449643492070771	0.011022838897624248	0.17548665082325812	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008032590881622961	0.0	0.006137430502233004	0.14985284901925108	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.050536092088187476	0.0	0.0128175357238056	0.013601336293843878	0.0	0.0	0.0	0.03887848356880009	0.028504336421029234	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006926348481361672	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011506031359347212	0.0	0.020673756121826623	0.0013558704929059473	0.0	0.0	0.002395265596483368	0.03877340334601918	0.06622608612735574	0.011129560293672656	0.010752790529657077	0.0	0.0	0.0	0.023170367120437213	0.0	0.0	0.0	0.0033867978256411422	0.011816644758455801	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006670199252053336	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Endrin	0.11053024054142879	0.00034050123496310615	0.0	0.0	0.0	0.0	0.0	0.00019015883414227563	0.0	0.0	0.0003936034447370767	0.024101491241643895	0.0005395866289263355	0.019774323604972954	6.056441671710984e-05	0.0030518717248350005	0.06059579361371252	0.0	0.0010617667848280634	0.00025254576197869115	0.02606829586700555	0.0	0.0021827001785510985	0.000673068449540219	0.0	0.0	0.0007816788817378243	0.009416729789927735	0.021251210859424656	0.013350979150318909	0.0	0.0	0.020911801208074923	0.002020765749881281	0.015817539702327497	0.0	0.010964488904297484	0.011229353228912161	0.0	0.0	0.0	0.0	0.09460559965194311	0.0	0.0006387774825888443	0.0	0.0	0.0	0.0	0.0	0.0	0.0011069018251332393	0.0	0.0	0.03051572160390227	0.0	0.020328907242700783	0.013987582838216028	0.1625620699648709	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009021933749161444	0.0	0.00694835061199424	0.092868246528288	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0053959692195537385	0.001582224021085326	0.0	0.0	0.0	0.04543940169895349	0.010842419053745646	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007124050431470689	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004712842482150946	0.0	0.022656897688363865	0.0010551056247729853	0.0	0.0	0.006672879040544341	0.06672386680536327	0.04814892313382618	0.011561396500467645	0.007858400570800377	0.0	0.0	0.0	0.02020812697224213	0.0	0.0	0.0	0.0	0.008432269474951348	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007409308260557525	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4,4'-Dichlorodiphenyldichloroethylene	0.011118247728854147	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003423611119739232	0.0	0.01204166049488528	0.12583229045378133	0.0	0.0031779870533873897	0.001446919901163238	0.0	0.0	0.0006403464158392801	0.0	0.0	0.004848511073481979	0.0	0.0	0.004895210238917703	0.0	0.006108557374564281	0.0008670847643777223	0.008667258171141494	0.0	0.0	0.0023778503139065643	0.0	0.0	0.0	0.011759231066392045	0.0016940012862730345	0.0	0.000529551268369486	0.0	0.0	0.014428617171272843	0.0	0.0003289214975598713	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016531678990976354	0.0	0.011563564976593915	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014920886233202996	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00034590713640113654	0.0017498233494337692	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004800961390822392	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007662995873572059	0.0	0.002117394043039619	0.0	0.0	0.0	0.021506768367921602	0.0	0.0	0.02581452769270204	0.0	0.0	0.0	0.0	0.023072076248204735	0.0	0.0	0.0	0.0	0.00733449158666922	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Methoxychlor	0.0	0.0	0.0	0.0	0.0	0.0	7.547941336850555e-05	0.0007029784189121593	0.0	0.00011483216873965735	0.007690461861740449	0.0	0.0968624590486143	0.0	0.0	0.04314034170059225	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0001476135447885443	0.0	0.005577979051469165	0.0	0.0	0.00772666316931471	0.0	0.0	0.0	0.0017550029826073669	0.0057917475874956865	0.0	0.0	0.0	0.0	0.0	0.04448421716063817	0.0	0.0	0.0	0.0	0.00018959844541521553	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008123356153011128	0.0	0.0	0.0	0.010947739570070204	0.0	0.0	0.0	0.0	0.0	0.014994708377375541	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009576079176411002	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05286125280131944	0.020371467786499956	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02413992171414203	0.008636555767463867	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007692407782342093	0.0	0.0024172545919891797	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018762622816947686	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014667602928847494	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4,4'-Dichlorodiphenyldichloroethane	0.0030076103012569885	0.0	0.0	0.0	0.0	0.0	0.0	0.0008184427907035733	0.0	0.0	0.0	0.0	0.002056254228651673	0.04153251835913369	2.9544336125748427e-05	0.04731634122173203	0.02326917895152409	0.0	0.0	0.00015105418811008826	0.0	0.0	0.001793221804621332	0.0003487273349744735	0.0	0.0	0.0	0.0	0.003229983589672473	0.012585083256870912	0.0	0.0	0.009121519069990753	0.027674773369957006	0.0	0.0	0.0	0.0	0.0	0.002320665962552211	0.0	0.0	0.01050929346596775	0.0	0.0005662110280054226	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007244719639011436	0.006769700359687297	0.05345418342665361	0.008186639467511336	0.022482525026044996	0.0	0.0	0.0	0.0	0.0	0.0	0.010721021902234344	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002396032796054031	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008274669162222744	0.0024938792883178423	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007599030085488754	0.0	0.0	0.0009880031093386634	0.0	0.0	0.01752113839801344	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4,4'-Dichlorodiphenyltrichloroethane	0.004692861948896154	0.0	0.0	0.0	0.0	0.0	0.0	0.0007778299057791523	0.0	0.0	0.0	0.0005616090687378324	0.002778775484613628	0.058853394768522076	0.0	0.04819480055504425	0.02318070409968179	0.0	0.0	0.00025069195222991253	0.0	0.0	0.0018151602898401474	0.0	0.0	0.0	0.0	0.0	0.0033374825929043802	0.008750197606048669	0.0	0.0	0.002905312459072578	0.027207412492037786	0.0	0.0	0.0006588509163521835	0.0	0.0	0.002397901425483425	0.0	0.0	0.010195564026853112	0.0	0.00028012915900955997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007485835458416364	0.0053622481389018995	0.05363591603172288	0.010252051247322331	0.03139579452266143	0.0	0.0	0.0	0.0	0.0	0.0	0.011567009790542634	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004947321093378787	0.0	0.0	0.008880620888124113	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005156463831389377	0.002176464742514637	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002744435055673475	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006109565072101106	0.0	0.0	0.0010659657020591622	0.0	0.0	0.015394934254469571	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006350440545726908	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(4-tert-butylphenyl) phosphate	0.0	0.0	0.0	0.0	0.001633406023958814	0.12426514943875827	0.0	0.00039566857448364626	0.0	0.00020609328917288293	0.0	0.0	0.0008057571252903379	0.0	0.0	0.0014616638335050666	0.02549870952040803	0.189695375366971	0.0	0.0	0.0	0.0	0.0	0.0	0.29576733701990887	0.0	0.0006213980052385484	0.0	0.0	0.0	0.0	0.0	0.0020343725806423415	0.005931899042912217	0.0	0.0	0.0	0.0	0.0	0.01730942467749632	0.0	0.0	0.0013555588647120452	0.0	0.01944471897029605	0.0	0.0	0.0	0.0	0.00040279355668247895	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002452402451102507	0.0	0.008885798992055244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0018293574257111673	0.007429386224620146	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06438796272159912	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016815259060311756	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04327042935639109	0.0	0.0	0.0	0.0	0.012341356867974117	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tri-n-butyl-phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0024777751494335096	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009411179364371817	0.0	0.0	0.0	0.0	0.0	0.02062881570692081	0.0	0.0	0.0	0.0	0.0020162674579450746	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08312940823216429	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013364527190112422	0.0	0.0	0.0	0.0	0.05308202465635862	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(1,3-dichloro-2-propyl)phosphate	0.03293958376239882	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004493069707426499	0.0010794873674435047	0.0	0.0	0.001886398957645849	0.026328386725877218	0.0	0.0	0.0	3.9622905939946976e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.000462054895353548	0.0	0.008822118683394026	0.0	0.0	0.0	0.00723267196455484	0.0	0.0	0.412163952235192	0.017862898383779687	0.0	0.0	0.0	0.0	0.0	0.0	8.492104956855528e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033704736349627683	0.0	0.018383902930884745	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.055564796309720436	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016214303537538256	0.0012816034073793205	0.0	0.0	0.0	0.0013059505538675449	0.008894567688397607	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tri-o-cresyl phosphate	0.0	0.0	0.0	0.0	0.012109305950233379	0.0	0.0021310706562003836	5.11726432479052e-05	0.0	0.00010010429039833895	0.0	0.0	0.0016506529093779732	0.0048262633789776304	0.0	0.012299348649154912	0.006020741952380407	0.0	0.0	0.00036863673701678515	0.00017611026226217727	0.0	0.0016454329850900064	0.00017685109434169887	0.0	0.0	0.0014449192059979438	0.0	0.0003888981867461236	0.0021867262693352073	0.0	0.0	0.041457380551750155	0.10328400812572491	0.0	0.0	0.0	0.0	0.00038095142261344026	0.27467753933559375	0.0	0.0	0.0023221587674521	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010440701032659448	0.0	0.0	0.0	0.0	0.0	0.01025325459681435	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0035390221425354185	0.0	0.029611787258124075	0.0	0.0	0.0	0.009633252111216906	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021487195003457225	0.0	0.06463572447521572	0.00665276304543606	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020491485324236106	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017677409737168515	0.0	0.0038656609494380264	0.0	0.003045986163814095	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00045303278450196054	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.047802539403247496	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003934198920877562	0.0	0.0	0.0	0.11912646015664645	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011832338481267099	0.0	0.0	0.0
+Tri-m-cresyl phosphate	0.0	0.0	0.0	0.0	0.006968229350017094	0.0	0.0	0.0	0.0	0.00040462805283600584	0.0	0.0	0.0	0.0	0.0	0.009621566975718782	0.009676396165918989	0.0	0.0	0.0022622873837911386	0.002885208413610164	0.0	0.0	0.012291144145421725	0.0	0.0	0.0037110279529649075	0.0	0.0	0.0	0.0	0.0	0.0068956124747254835	0.044822406960726674	0.0	0.0	0.0007509059783335078	0.0	0.0	0.0337574577686595	0.0	0.0	0.0007914260848044336	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006008040400459878	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009530997136010756	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014280834073599595	0.0	0.008917024249871274	0.0	0.0	0.0	0.01548233831171855	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0460853773216253	0.007133412750204686	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03446113009328269	0.0	0.013223700081304367	0.0	0.0009658048713602288	0.0	0.005149647208945886	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028556329585708543	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.052486092276413585	0.00811079554409455	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006340580932554174	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tri-p-cresyl-phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004666033278166468	0.0	0.0	0.0	0.0	0.0	0.005946350273578861	0.009158148788052965	0.0	0.0	0.0035921287435580354	0.0024485480682832866	0.0	0.0	0.010820853961324603	0.0	0.0	0.004262885752766213	0.0	0.0	0.0	0.0	0.0	0.003278845687733353	0.04190582407061598	0.0	0.0	0.0006062645137683137	0.0	0.000467134812092888	0.04341237082983267	0.0	0.0	0.0006599618921846929	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015361379486759817	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014070465210506834	0.0	0.025724712811156698	0.0	0.0	0.0	0.014653136913212059	0.0	0.007336198793535808	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04038983673431216	0.008198166208309758	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.033161098484487624	0.0	0.0038173598851102245	0.0	0.001009299759338264	0.0	0.004157708756213022	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.030759610097780565	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.10850160289647716	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Isodecyl diphenyl phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03649231850926125	0.0	0.0	0.013446125691128314	0.06520110320166875	0.0	0.0	0.0	0.0	0.0	0.005510951769351632	0.0007683442653971714	0.0	0.4122773057565717	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011787848290443958	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008677281100954339	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11252976076423966	0.0	0.008435195208456684	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001350734085134488	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(isopropylphenyl)phosphate	0.017336824319358204	0.0	0.0	0.0	0.011900822904909946	0.0	0.0002876982350526107	0.0012446828957711608	0.00023550942343171069	0.00012721242057550685	0.0	0.0	0.006491796404861694	0.0035308013777180266	0.0	0.042618275169972915	0.03524494245198733	0.0	0.006704213537407247	0.2520159660977677	0.0	0.0	0.00039484757646297207	0.0005634033980502557	0.0	0.18207675907106227	0.001371115647612071	0.0	0.00037269906876348486	0.0013078728291398348	0.0	0.0	0.0163064450927038	0.010161799166679376	0.0	0.0	0.00505915096813637	0.0	0.0	0.007439041165574109	0.0	0.0	0.020547470326919233	0.012366572371392014	0.0	0.0	0.0	0.0	0.0	0.11995167595915297	0.0	0.010260945962009969	0.0	0.01786181589100143	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006083172121124587	0.0	0.0	0.0	0.002775123852760007	0.0	0.02233792341331633	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020130300717017435	0.0	0.0008059896499933245	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014005356003130227	0.0	0.0	0.0	0.0	0.0012696928350013118	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034644983390978083	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004252822919717031	0.49189510336864195	0.0	0.0	0.0	0.0	0.0	0.0	0.020202034111700594	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0449470954588726	0.02362829109876454	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(3,5-xylenyl)phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007044478140254384	0.0	0.0	0.0002832205132578818	0.017255180717532324	0.0	0.01039368614530655	0.0	0.0	0.0	0.0	0.0	0.0	0.0011201473649682006	0.0	0.0	0.028219850554559053	0.002035141349922368	0.0	0.0	0.0	0.0	0.0	0.013537886376592586	0.0010346070906223793	0.0	0.0	0.03310390049720926	0.0	0.0	0.011398145344255073	0.0	0.0	0.004077602542442653	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002507195110136537	0.0	0.0	0.0	0.0	0.0	0.0	0.06013266056367986	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007368697241257193	0.0	0.10598560335138614	0.0	0.0	0.0	0.0	0.01790528964845304	0.0	0.0	0.004816230209514116	0.0	0.0	0.0	0.0	0.0	0.0	0.032901178308889084	0.0	0.02654340351662002	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0099765793171851	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05756111981021594	0.028001472658755584	0.0	0.0	0.0	0.0	0.0	0.0	0.019720960251282147	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(2-butoxyethyl) phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026075669353978426	0.0	0.007309237762564281	0.0	0.0	0.04504808673386959	0.0	0.0	0.0	0.0	0.0004579735419869076	0.0	0.001622574630001803	0.002778765236081446	0.0	0.0	0.003196352655044224	0.0	0.009904159438859916	0.0	0.0	0.0	0.01681602969406159	0.0038028673441786124	0.08190774313427894	0.0	0.0	0.0	0.0	0.012323872024601872	0.0	0.0	0.0	0.0	0.004055388718998769	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011087316224719114	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034132145926588776	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018223169253269483	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0307993304460042	0.0	0.0013850990298693293	0.08633455125827726	0.0	0.0	0.0	0.01151489611038757	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0021876709977648313	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003840416793510265	0.06874140394468171	0.5586258801148255	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008342150525801997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(2-chloroethyl) phosphate	0.03505847365096222	0.0	0.0	0.0	0.0	0.0	0.004986670728283548	0.0	0.0	0.0	0.00871194067531006	0.0	0.07289725313517811	0.0	0.0	0.11496649652551237	0.018756730039866835	0.0	0.0	0.0	0.0	0.0	0.007314319831028011	0.0	0.0	0.12463212830535526	0.0	0.0	0.003309002284805976	0.03677131311651516	0.0	0.0	0.0	0.0	0.0	0.0	0.0003551011664716488	0.0	0.0	0.0	0.0	0.0	4.754870320241599e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004145548481597353	0.0	0.0	0.0	0.0	0.0	0.0	0.000797447688804734	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02767699662380916	0.0	0.0	0.0	0.0	0.0	0.0	0.0005246957453609188	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.18663818217616354	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(1-chloro-2-propyl) phosphate	0.013867098455157306	8.497606104771806e-05	0.0	0.0	0.0	0.0	0.0	0.0037359373569748095	0.0	0.0	0.025251815316448274	0.0	0.06795961720357079	0.0	2.2699721529647516e-05	0.0024758312956042533	0.0	0.0	0.0	0.006652594094146234	0.0	0.0	0.0	0.0	0.0	0.0	0.0007503996465135646	0.0	0.00959124007977155	0.030473125297967297	0.0	0.0	0.0015177298655174641	0.016260601651873426	0.0	0.0	0.0	0.006734634300249442	0.0	0.0	0.0	0.0	0.18286563173415651	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007844271731527916	0.0	0.0	0.011092233433176696	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.047558386112022656	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013519141516981149	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033848637566186615	0.0	0.0	0.0	0.0	0.0	0.0	0.10566593958628615	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.5409762397334478	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(2-ethylhexyl) phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04178759188963638	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0814419524658027	0.0	0.0	0.0	0.0	0.0	0.0	0.0421033314177758	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triphenyl phosphate	0.005152242720121872	0.0	0.0	0.0	0.0	0.0	0.007794024879451712	0.0002516171346736943	0.0	0.0	0.0	0.0	0.021203616106887466	0.0	0.0	0.018125037675149433	0.0	0.0	0.0008246380570121179	0.0	0.0	0.0	0.005607691327656827	0.0004409100962742758	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005321712318465621	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009379516016170439	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05521619756057176	0.0	0.0	0.0	0.0	0.0	0.010979433566661388	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0589144551346869	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020850975934478284	0.001976670583799482	0.0	0.0028153787235358028	0.0	0.0	0.012704899713491665	0.0	0.018571547948784725	0.0	0.022080427632120814	0.0	0.0	0.0	0.0	0.01087756806884574	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014498329504234932	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2-Benzanthraquinone	0.006202188855057551	0.0	0.0	0.0	0.0	0.0	0.00033069864692091683	0.0036204577995902873	0.0	0.0	0.0	0.0	0.08451830447494527	0.012048595084677611	0.0	0.17069287568870645	0.0	0.0	0.0	0.0016698720152779677	0.005869186642444286	0.0	0.0	0.0026160492379953826	0.0	0.0	0.0	0.0	0.0005236782288906886	0.0075141242088177535	0.0	0.0	0.036897636936393446	0.0	0.0	0.0	0.0	0.0	0.0	0.0003762502834385853	0.0	0.0	0.008700433108011987	0.0	0.006766559686149426	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011745886144739848	0.10519534969553826	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.039056291024206935	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026685865261936545	0.03783942109371338	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03370281685636301	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.034300185995478565	0.08410105636869178	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,4-Chrysenequinone	0.006440956110775448	5.1339368784520206e-05	0.0	0.0	0.0	0.0	0.0006680711107095081	0.0031736151872168196	0.0	0.0	0.0005299945915896597	0.0	0.09040699517498581	0.01317080284985256	1.52677063173331e-05	0.15027318608906962	0.014250347039185837	0.0	0.0	0.0024660714208726733	0.005796637389945485	0.0	0.007323136608605681	0.0020395472128487357	0.0	0.004309357990483579	0.0024394067168572913	0.0	0.01355101029180178	0.016034012313170122	0.0	0.0	0.03943929457283885	0.0003383013068444203	0.0	0.0	0.000488858339604165	0.00040457149796199645	0.0	0.01294093213000022	0.0	0.0	0.0034965515605458585	0.0	0.018612344490278373	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002500162379690465	0.12328116841364632	0.0	0.006001141463787202	0.008235618903194299	0.00799399733289504	0.0	0.0	0.0	0.0	0.0	0.013428748046545045	0.0	0.0	0.0	0.0	0.0	0.0008926622374130238	0.0	0.01332329022984966	0.0	0.03693105636676782	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014649767201506624	0.0014963524148098627	0.018812852151986626	0.010908707337493134	0.007426553959076512	0.0	0.0	0.0	0.00027971456759056886	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03008360438803796	0.025723036382655166	0.0024058274566364016	0.0	0.011672053620843817	0.0	0.0	0.0	0.0	0.022910994913138936	0.0	0.0015900692305967315	0.0	0.0	0.0	0.0	0.0	0.0	0.0009268589708645923	0.024561009988835883	0.07163560447738199	0.01135421266329638	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Hydroxychrysene	0.00023317993692992484	0.0	0.0	0.0	0.0	0.0	0.008586358573764817	0.0	0.0	0.0	0.0	0.0	0.000353916963122248	0.0	0.0	0.002789501739601052	0.0	0.0	0.008167975450337943	0.0	0.0005898832037673239	0.0	0.014600335555291192	0.002854297326942323	0.0	0.0	0.0009595386106798699	0.0	0.0008799742435885169	0.0	0.0	0.0	0.007083269946556994	0.0	0.0	0.0	0.030178328852940566	0.0	0.0004953006049079297	0.0011426756803206185	0.0	0.0	0.0015789356873033473	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019737458433949557	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00844730301442991	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009780750102941074	0.0	0.0	0.0	0.0	0.0	0.009605558770410957	0.0	0.0	0.0	0.0	0.0029665494178681318	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017603284378815417	0.0	0.20696032716784896	0.0	0.0	0.008595189313631273	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005695534185949423	0.0	0.0	0.0	0.02772744787327298	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1-Nitronaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005553396146144288	0.0	0.0	0.0011080803838378985	0.0	7.029961122656512e-05	0.0	3.4738725924296265e-05	0.07562589469412423	0.0	0.0	0.0	0.0005058597047755075	0.032171080625410256	0.0	0.004013288890934952	0.0	0.0	0.0	0.0	0.0	0.0004208752858315111	0.016162878039770307	0.0	0.0	0.020494960452790215	0.06140937207715555	0.0	0.0	0.0	0.0231639199777322	0.0	0.0	0.0	0.0	0.00012333376829787375	0.0	6.098868350998802e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004012635124918296	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012004552804815163	0.0	0.0	0.2838237121808693	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005661408404015434	0.007742061116227135	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0316444013711529	0.0	0.0	0.010379041076984057	0.0	0.0	0.012885035653575039	0.0	0.0	0.0	0.0	0.007666977403101996	0.0	0.0	0.040579312597982045	0.05841583544212514	0.023738695688169446	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027276886393744537	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Hydroxyfluoren-9-one	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005796116519404491	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006869457210947078	0.0	0.0	0.014651577481757485	0.0015809227183684593	0.0	0.0	0.02978087329993526	0.021308036668901093	0.0	0.0	0.0	0.0	0.0	0.0	6.832532109187819e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015418785926257252	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000978437397017353	0.0008407706417555277	0.06520964341312055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16146903540814592	0.0	0.0	0.0	0.0	0.102215029936486	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,4-Naphthoquinone	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00034114831216402466	0.0	0.0	0.0	0.0	0.0	0.0037690879957261577	1.5491009356169368e-05	0.0076581105719417016	0.0	0.0	0.0	0.0	0.10249128809584056	0.0	0.0	0.0	0.0	0.0	0.0	0.2885364586386266	0.0	0.013421599346071067	0.0	0.0	0.02480846113419257	0.008385283480721052	0.0	0.0	0.0	0.03571720037533967	0.0	0.0	0.0	0.0	0.0	0.0	5.822817607040978e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.10092205906510336	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00048458354708785795	0.2374499719747145	0.0	0.0	0.00696511846672065	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.31792806800860685	0.0	0.0	0.09737660460398052	0.0	0.0	0.005276824792695886	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005381673945114316	0.008673409237281627	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2740480911849054	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-Methylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0022822061551146106	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016867626314148825	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033450389808033264	0.0	0.0	0.008228918496906925	0.010236557034218769	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014280169662066315	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06628831187555556	0.0	0.0	0.0	0.0	0.009095440961753107	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1-Methylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002398506338441467	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020592467613127574	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006348503275441318	0.013060249055279182	0.0	0.0	0.0	0.007104410542737576	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013967525146617431	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06727776534226461	0.0	0.0	0.0	0.0	0.009211019487327722	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,6-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001168602861915911	0.0	0.0	0.0	0.0	0.0005363286239184034	0.0	0.0	0.07788201787316244	0.0	0.0	0.0	0.0	0.6264160291669295	0.0	0.0	0.00039602136235846	0.0	0.0	0.0	0.0	0.0	0.0033927286510150585	0.0	0.0	0.0	0.02080445951690382	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00017745795701448746	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013984896418855744	0.00015445600088261156	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06353175018446489	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016861075687756445	0.0	0.0	0.06010080062323116	0.0	0.0	0.0	0.0	0.007541060902369566	0.0	0.0008212629567318722	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,3-Dimethylnaphthalene	0.0	0.0	0.0	3.385272728012021e-06	0.0	0.0	0.0	0.0014132884156481066	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.056022682999890834	0.0	0.0	0.0	0.0	0.446722538468553	0.0	0.0	0.0	0.0	0.0	0.00041568875915040285	0.0	0.0	0.024523710646289717	0.0	0.0	0.015836809220588006	0.01865796914546446	0.0	0.0	0.0004070277975749428	0.0	0.0	0.0	0.0	0.0	0.0006840223096060416	0.0	0.002890565972667821	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010242389732151538	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029925920890668746	0.0	0.04691619317356655	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018693121842588742	0.0	0.0	0.04862417302740064	0.0	0.0	0.0	0.0	0.012848640115440103	0.0	0.0	0.0	0.0	0.009506483835749494	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,4-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015738017998558848	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.056767209007870474	0.0	0.0	0.0	0.0	0.35178982634765554	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007011778102512419	0.014394400479182053	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003388659355906921	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00916986762826052	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04876743525218527	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016093013968452457	0.0	0.0	0.06383575830768977	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,5-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011856271292717037	0.0	0.0	0.0	0.0	0.0010296052193815807	0.0	0.0	0.08818884427725357	0.0	0.0	0.0	0.0	0.6803608761410861	0.0	0.0005627247453625291	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00037878597447169987	0.02150970750819062	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00019695905588061044	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017850457537438493	0.000321411701375063	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008669551712893152	0.0	0.0	0.0	0.009655891566170452	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015782399783023618	0.0	0.0	0.0	0.0790049440152623	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015219316484842801	0.0	0.0	0.05321590516607585	0.0	0.0	0.0	0.0	0.008559537129674307	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016763066266632335	0.0	0.0	0.0	0.0	0.0009905857932351264	0.0	3.2781525520715225e-05	0.06294368223743242	0.0	0.0	0.0	0.0	0.3854030106775385	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007987927201829883	0.0	0.0	0.009124419762229014	0.018552733978972454	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012803239662334844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011328209186295705	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04562360745701598	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012376924978880207	0.0	0.0	0.07271879633693701	0.0	0.0	0.0	0.0	0.018117754079372723	0.0	0.0	0.0	0.007358635889888202	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,8-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001444644457728169	0.0	0.0	0.0	0.0	0.0010053404362863642	0.0	0.0	0.09248867512562865	0.0	0.0	0.0	0.0	0.5599802688346774	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004718492261616789	0.0	0.0	0.0004518243320210296	0.020718349144438406	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00011994441761032282	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0177269697067096	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08264566508228136	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022064585296815292	0.0	0.0	0.06432100216632967	0.0	0.0	0.0	0.0	0.007583125089588583	0.0	0.00045769136988079844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+7,12-Dimethylbenz[a]anthracene	0.0	0.0	0.0	0.0	0.0	0.0	0.00023925146819338172	0.0	0.0	0.0	0.0012406572616339186	0.0	0.006435434552476431	0.0	6.068486836540278e-05	0.01630202994982875	0.0029149482450833283	0.0	0.0	0.0	0.00025282119853355773	0.0	0.00174340244379705	0.002394663231271453	0.0	0.00994573179433877	0.007742303897450169	0.0	0.0004712311374023047	0.0	0.0	0.0	0.05488148771508007	0.0	0.0	0.0	0.0	0.01734868267478824	0.0	0.0009197024782101122	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17462314825429734	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020970680051228523	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008328244969580996	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01966258637114922	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.33353495402905736	0.05749783587644888	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00945639029570024	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.46548512923501895	0.0	0.0031357675641153896	0.011640407230558722	0.02657892479355875	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.29226381053937395	0.0	0.08248293081186396	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.22847602732765648	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4-D butyl ester	0.10141846702206019	3.8482859546547947e-05	0.0	0.0	0.0	0.0	0.008713076663012907	0.0	0.0	0.0	0.006850017942466471	0.016138216395913174	0.0	0.03513970611670584	0.0001496480561540149	0.0036527490775246007	0.050350867291998204	0.0	0.004493838488882222	0.00012690774663396851	0.017341512047674663	0.0	0.01602366073331459	0.0	0.0	0.0	0.0	0.0	0.021727281065539256	0.017712154638152844	0.0	0.0	0.0003809006663959404	0.0	0.025079198007030224	0.0	0.0	0.0073835764243237265	0.0	0.0	0.0	0.0	0.04764954296450711	0.0	0.004286476296490068	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02170958231109383	0.00018956326228937253	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0027230641883370485	0.10814842409543421	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011379335424190804	0.002325932824575709	0.0	0.0	0.0	0.0	0.0	0.02932840493511814	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04197672003715426	0.0	0.0	0.0	0.0	0.0	0.0075569782508480895	0.06903451923468487	0.0	0.011129141834830754	0.0	0.0	0.0	0.0	0.08229046399055955	0.053947610739772965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.6610587362108564	0.0	0.0	0.0
+Chlorferone	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00010624994154399427	0.0	0.00048145851379487696	0.0	0.0	0.001378530058632983	0.5119124308782732	0.0	0.0	0.0007019312710745843	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014974018356759747	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02142243317864523	0.0	0.0	0.0015703576109149019	0.0	0.0	0.029339648080758278	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003661119547366143	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02844782817282543	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05610982462241611	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019514138620301904	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018551224450191965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000979562343580957	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Carbofuran phenol	0.0	0.0	0.0	1.1011269225607997e-05	0.0	0.0	0.0	0.0005512313998990455	0.0	0.0	0.0	0.0	0.001658555131390912	0.0	0.0	0.019057952744871792	0.03280563104071257	0.0	0.0	0.0	0.0	0.0	0.006813201715537421	0.0016427596905975166	0.0	0.0	0.014672754484302632	0.0	0.0011919390421570482	0.06634917722629927	0.0	0.0	0.04648051725267369	0.00865190143044738	0.0	0.0	0.0013239384302238864	0.014704846427516313	0.0	0.0008563796959883114	0.0	0.0	0.5173781620618291	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0026734699875349153	0.005012269939837891	0.0	0.0	0.01453969437462962	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.035212937035438915	0.0	0.01999401142886571	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02282138405446014	0.08138596306059913	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0038239790781009835	0.06357800289309075	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011238963887368714	0.0368603566859741	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06562839153804315	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Diazinone	0.0003015771492953521	0.0	0.0	9.314161509334424e-05	0.0	0.0	0.00031164671688449844	0.0001847620911829786	0.0	0.0002831643844897895	0.0011422404570178698	0.0	0.017036166670438845	0.0	3.4805685713975215e-05	0.08986704869135753	0.11666402585956429	0.0	0.003265671547367061	0.0	0.00041022105274822967	0.0	0.010969033485509755	0.0030763550151383366	0.0	0.0	0.0006531905325106997	0.0	0.06848945435999586	0.010241461287539196	0.0	0.0	0.029191008449985657	0.008201297999452219	0.0	0.0	0.01213188974775095	0.0	0.0014968412646006696	0.011419483250314827	0.0	0.0	0.014327220925447675	0.0	0.000805458793384581	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011187547148005109	0.07922960710671742	0.0019138444768516667	0.06261979720183125	0.010496543197725115	0.0008492384249053738	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002416674102044346	0.0	0.037721067880886056	0.0018755468275066006	0.0	0.0	0.0037649677827891856	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02830231722331723	0.017233562186209358	0.03164674123912934	0.08019204942296	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0031897943876514584	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015501614536911313	0.019167726686642638	0.0	0.01308466648690433	0.0	0.0	0.0	0.0	0.007785763654785625	0.0	0.05198227932712847	0.013107129045885742	0.0	0.024470515864514673	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015023814249614827	0.0	0.0	0.0	0.0	0.0	0.002986161010595794	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Dimethachlor	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00011019716774169405	0.0	0.0	0.0	0.0	0.0	0.030893414963084957	6.969466795248382e-05	0.008795664256636727	0.08667043485471052	0.0	0.0	0.0020093287899428294	0.0	0.0	0.006024655299187722	0.0009958281083609838	0.0	0.0	0.0008214481666721597	0.0	0.0	0.0	0.0	0.0	0.024856800213240625	0.0038534376590267246	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015492762853120049	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0563054309072401	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1755616949031079	0.0	0.0024710208727315632	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03421078605701449	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.9046302361414544	0.041218021011488776	0.006396466543165453	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02948906233911436	0.0	0.0	0.0	0.008110884897273673	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Pendimethalin	0.006267810008343808	0.0	0.0	0.0	0.0018946048125279683	0.0	0.004556731188639661	0.0003351500851517108	0.0	0.0	0.0	0.0	0.009603339439309248	0.016998803468746913	0.0005015386924657568	0.011581820996841343	0.025070032885668007	0.0	0.0	0.0011561718465477086	0.016513124353358135	0.0	0.023359210519497502	0.0006078723578714947	0.0	0.09744034561007467	0.001240981513876879	0.07440505155681053	0.20941959068714397	0.024892147497885524	0.0	0.0	0.044518693428159735	0.04518377202708458	0.0	0.0	0.15617990609195467	0.0037138173986809406	0.0	0.002428509751269526	0.0	0.0	0.012225394794894753	0.0	0.001686651473188569	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007581389382383928	0.009033510086384415	0.0005604557012206102	0.0	0.0	0.13021552588696517	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002075897899773201	0.0	0.29925022057329886	0.0	0.00599996530377155	0.0	0.0	0.0	0.0	0.0	0.023971836171767513	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03399479040921611	0.054010152369108055	0.06640939036187794	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009246327428515019	0.0	0.0	0.014250176736058606	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0050682803250512885	0.0	0.0	0.06163814344332973	0.0	0.0	0.002532453794694559	0.04860087919087534	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12944490705923883	0.1141504921168842	0.0212907862649915	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0626623699861074	0.0	0.0	0.0	0.019694300644547157	0.0	0.0	0.0	0.0	0.0	0.0	0.00101878551152486	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+2,2',3,4,4',5',6-Heptabromodiphenyl ether	0.024180191238671066	8.88723779300386e-06	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005614826574845663	7.098408089129073e-05	0.022729251382813773	1.3008538999524858e-05	0.04377290970877464	0.046668839968900325	0.0	0.0005756402355169657	0.0	0.000990567802396304	0.0	0.010254881884208172	0.0017865154256511949	0.0	0.0	0.0	0.0	0.0009603812536700601	0.0	0.0	0.0	0.0	0.0	0.025858992299547575	0.004295114144427845	0.0	0.008985455655189132	0.0033673544037837403	0.0006900109627774692	0.0	0.0	6.421453986856273e-05	0.0	0.0010245570592074113	0.0	0.0	0.0	0.0	0.0012119557858592666	0.0	0.0	0.0	0.0021540954423571643	0.002096088600258892	0.0	0.0	0.006646524261988957	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00044953201125915235	0.0	0.0032556455109727326	0.004681503397263373	0.0	0.0	0.0	0.0	0.0026457661790698244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00033318450893147367	0.041416348261133544	0.0	0.0	0.0	0.0	0.027620671563881843	0.00864040709019798	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0065858607701779585	0.0	0.0	0.0	0.02645038120910951	0.0	0.0030776013723094998	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03047378825096018	0.0	0.0	0.0	0.0	0.0	0.010686338710136087	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-Chlorobiphenyl	0.00011324268357854903	0.0	0.0	0.0	0.0	0.0	0.30327152545734354	0.0	0.0	0.0	0.0004608409909277128	0.0	0.0017675855799208428	0.0	0.0	0.27327014313288	0.0	0.0	0.0	0.0	0.0	0.0	0.6159214014775711	0.0	0.0	0.0	0.0	0.0	0.00017503836960618184	0.008061831686581568	0.0	0.0	0.009305274066651756	0.0	0.0	0.0	0.03133334562696776	0.0078079877545746326	0.0	0.0	0.0	0.0	0.009895881020112835	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06769161101078178	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.10646899731773136	0.0	0.09381009960581205	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06929621057372863	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06364451731179803	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009872717001249443	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1330431018280665	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3-Dichlorobiphenyl	0.0021403326295164854	0.0	0.0	0.0	0.0	0.0	0.010914793332299477	0.0	0.0	0.0	0.0004963107434811307	0.006632230693509383	0.005630300010094695	0.0	0.0	0.31022296113995185	0.0	0.0	0.0	0.0	0.0	0.0	0.018879901339814126	0.0	0.0	0.0	0.0	0.0	0.00018851062528549238	0.013682199412754547	0.0	0.0	0.012560486854744696	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01592790407274472	0.0	0.00011827714480831845	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06267043988019284	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026825941514330924	0.0	0.024857928752048782	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11731184208673762	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013724240655251024	0.0	0.0	0.0	0.0	0.010632594781130293	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',5-Trichlorobiphenyl	0.017943213262077408	0.0	0.0	0.0	0.0	0.0	0.08706487798210198	0.0	0.0	0.0	0.003289427670354292	0.014819620616617441	0.0013156668612608682	0.0	0.0	0.024814040882086087	0.001605925419036292	0.0	0.0	0.0	0.0053584604782917645	0.0	0.14975274740532848	0.0	0.0	0.0	0.0	0.009147963849634943	0.003250511346211891	0.01853421597232178	0.0	0.0	0.012712799472328399	0.0	0.0	0.0	0.0006869782053537897	0.0	0.0	0.0	0.0	0.0	0.029182346802227446	0.0	0.000877281298945682	0.0	0.0	0.0	0.0	0.0	0.0	0.0645923535768254	0.0	0.0	0.1413620214076137	0.0	0.0	0.006160905428776329	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006207121384039771	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03734639022502453	0.0	0.0	0.0	0.0	0.05196783809929346	0.006933978493028346	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004753178223017483	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17187616901661615	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04027892893527143	0.0	0.0	0.0	0.0	0.014656103663908297	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011351531397895288	0.0	0.0	0.0
+2,4',5-Trichlorobiphenyl	0.010939288367217232	0.0	0.0	0.0	0.0	0.0	0.05288809897115894	0.0	0.0	0.0	0.0028267531745579	0.011472022258313327	0.000915741914780242	0.0	0.0	0.005269542595908843	0.0020567387788782074	0.0	0.0	0.0	0.0003045075673257967	0.0	0.09088044050557895	0.0	0.0	0.0	0.0	0.008624777247340806	0.002917981605974291	0.013626979502651414	0.0	0.0	0.009792201976871816	0.0	0.0	0.0	0.0005621265123720494	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009300566307218159	0.0	0.0	0.0	0.0	0.0	0.0	0.08935905370069538	0.0	0.0	0.15267284396925815	0.0	0.0	0.006274989286592175	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004648829229448915	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028218393458288513	0.0	0.0	0.0	0.0	0.07265316575521634	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12830450411259223	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.031651304692328554	0.0	0.0	0.0	0.0	0.010629093790559848	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011803682541030076	0.0	0.0	0.0
+2,2',3,5'-Tetrachlorobiphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.0005811687867543975	0.0	0.0	5.628646155012935e-05	0.016455621706984412	0.018021535935110144	0.010346785211038961	0.0	1.2648245163066914e-05	0.0062031240943866035	0.009380774869633717	0.0	0.0	0.0	0.0027603397952914617	0.0	0.0011616218511712087	0.0	0.0	0.0	0.0004234807693156202	0.004348466151594354	0.017954016603515977	0.020218671902261065	0.0	0.0	0.009801818734980138	0.0	0.0	0.0	0.0006642642665808604	0.001059119146360806	0.0	0.0	0.0	0.0	0.025779043584453664	0.0	0.017943238708627445	0.0	0.0	0.0	0.0	0.0	0.0	0.006582716336263179	0.0	0.0	0.02107806267850296	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0038013480702573797	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013156996524584906	0.0	0.0	0.0	0.0	0.0028591094866719734	0.013142869157569839	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005299507857484019	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13588343325996396	0.016533198306626733	0.0	0.0	0.02585551231952058	0.0	0.0	0.0	0.051188521457487854	0.0	0.0005794798351224344	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04323230346973233	0.0	0.0	0.0
+2,3',4,4'-Tetrachlorobiphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.0004796004640134875	0.0	0.0	0.0	0.014039271045146979	0.012324830141785717	0.006938601552640557	0.0	0.0	0.0022042031453802457	0.0072791748559093705	0.0	0.0	0.0	0.0007890835009779385	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015087173269228009	0.01374528074328679	0.0	0.0	0.008788341140207927	0.0	0.0	0.0	0.0004276525504148807	0.0	0.0	0.0	0.0	0.0	0.0317867190495943	0.0	0.010561979002570969	0.0	0.0	0.0	0.0	0.0	0.0	0.0021750249510694543	0.0	0.0	0.010155796500614501	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013346523229449386	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009328891707752836	0.0	0.0	0.0	0.0	0.0	0.010807095083712534	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08868731353835538	0.012932536414795194	0.0	0.0	0.0368550300062896	0.0	0.0	0.0	0.03904134658680573	0.0	0.0004800290416636932	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.029872007155097226	0.0	0.0	0.0
+2,2',3,4',5,5',6-Heptachlorobiphenyl	0.032444674167791863	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002489510200290446	0.007672383324651833	0.0001546951428897875	0.0	2.2487818510533538e-05	0.01324989503504099	0.0026318450130285074	0.0	0.0011051532406801577	0.0	0.011768939224583812	0.0036579621281001415	0.0036146448425800584	0.0	0.0	0.0	0.0	0.0	0.0	0.024887186185422204	0.0	0.0	0.005712212721313839	0.004657557653911537	0.0	0.015310334015996217	0.0	0.0006003068508853939	0.0008157967874861527	0.0	0.0	0.0	0.001010062239390051	0.0	0.0003434766524302305	0.0	0.0	0.0	0.0	0.0	0.0	0.006496231566704821	0.0	0.0	0.00204367298698526	0.0	0.0	0.0007342493950882201	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002225766641004255	0.0	0.0	0.0	0.00048035663736849867	0.0	0.0022888124306499535	0.003710180057276358	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0021338907796103835	0.0013072446927100442	0.0	0.0	0.023032734711398696	0.0	0.010069228796662071	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004764035526827668	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029419934172399283	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021628490238476763	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4,4',5',6-Heptachlorobiphenyl	0.03154973060569359	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.221567862082667e-05	0.0022592449822639244	0.008342544972915374	0.0001388895023226705	0.0	2.5027570368358032e-05	0.012115928214255396	0.002608277630718797	0.0	0.0009898757195918122	0.0	0.011491754199081092	0.003662025078987404	0.00618854607731391	0.0	0.0	0.0	0.00045737069766991773	0.0	0.0	0.02333402447385188	0.0	0.0	0.014726087423930766	0.015837949612928514	0.0	0.016972899180565527	0.0	0.0014814028225913357	0.001421047598228073	0.0	0.0	0.0	0.0008350844934871832	0.0	9.841601879088458e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.005989804280135014	0.0	0.0	0.0008551020918476101	0.0	0.0	0.0006622653518019996	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019974123263492814	0.0	0.0	0.0	0.0	0.0	0.0020665126639305303	0.004742002248318817	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0025701491618552873	0.0011805515523758189	0.0	0.0	0.02286907508935134	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0031599975895360067	0.0	0.0	0.0	0.0	0.0	0.0007740003664074829	0.0	0.0	0.0	0.007803347434075032	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01931999586804777	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,3',4,4',5-Heptachlorobiphenyl	0.027824406868184704	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.459631015289126e-05	0.002310579314891309	0.00955241522908475	0.00010546585923301636	0.0	2.6166167237519582e-05	0.012553897383911376	0.0027576613020851583	0.0	0.000996528620573916	0.0	0.013139915716208195	0.0038409998876591297	0.005770331882665762	0.0	0.0	0.0	0.0005125695135020283	0.0	0.0	0.02646862454389989	0.0	0.0	0.016274926048827992	0.019201586825586172	0.0	0.015264989274180076	0.0	0.0018179296953723858	0.0013117524758101257	0.0	0.0	0.0	0.0011182923474522832	0.0	9.840696576403039e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0062347754763338	0.0	0.0	0.0009051780293221777	0.0	0.0	0.000644262547953584	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0021895736129928676	0.0	0.0	0.0	0.0	0.0	0.0018991783965563234	0.004248404346839542	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002341700648390216	0.00122975635533877	0.0	0.0	0.026858514360837617	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033111572005429493	0.0	0.0	0.0	0.0	0.0	0.0007528149904880978	0.0	0.0	0.0	0.0067410629550761795	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02046521642617199	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4,5'-Pentachlorobiphenyl	0.004016920273176269	0.0	0.0	0.0	0.0	0.0	0.0008805505440042807	0.0	0.0	0.00021290493696669158	0.032830438122874776	0.012063041053173814	0.00021326623938624863	0.0	1.9630580811410533e-05	0.004511516844486718	0.011431640034569314	0.0	0.0	0.0	0.008446969651142318	0.013960513606708223	0.0020203177319991186	0.0	0.0	0.0	0.00032893304023625265	0.0	0.0337131623145616	0.014851023059309975	0.0	0.0	0.013793585775728362	0.003752702640326601	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.025439711982110605	0.0	0.0011947221390222603	0.0	0.0	0.0	0.0	0.0	0.0	0.05493494583832468	0.0	0.0	0.02651775941064525	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006794961392434442	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005222465978832991	0.0	0.0	0.0	0.005464752908716547	0.004963391097938211	0.0015312860513408682	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005002920444268559	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014544901189025752	0.0	0.0	0.0	0.0	0.0	0.0	0.01017149144274978	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022155129813765977	0.0	0.0	0.0
+2,3,3',4',6-Pentachlorobiphenyl	0.005217162553102782	0.0	0.0	0.0	0.0	0.0	0.0007145006300208725	0.0	0.0	0.00017494834709028267	0.025176429368187942	0.009237723495146635	0.00015652436287512842	0.0	1.9405440076819673e-05	0.003387360329253387	0.006318729378725733	0.0	0.0	0.0	0.006051797974658463	0.017290190115967934	0.0026906930213861646	0.0	0.0	0.0	0.0	0.0	0.02588139451795393	0.011557730189350707	0.0	0.0	0.006744128967979087	0.004471734849147697	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02126736025677163	0.0	0.0009696084732542931	0.0	0.0	0.0	0.0	0.0	0.0	0.039359564428662876	0.0	0.0	0.019184476982625036	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0035717060039190626	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0039828699472893	0.0	0.0	0.0	0.0074736291103922	0.0031312281173774587	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004807438403895633	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013037404346214351	0.0	0.0	0.0	0.0	0.0	0.0	0.006308711491425715	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017842974440158522	0.0	0.0	0.0
+2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	0.08430072737256476	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007519967134111343	0.010355738692598404	0.0	0.00802942282065011	1.6157336491599688e-05	0.004048537642969387	0.0004859703666379209	0.0	0.0003397321681097268	0.0	0.010768676687366878	0.010613476779649578	0.010263862289162522	0.0	0.0	0.0	0.0	0.0	0.0002856262382382978	0.023225751184862194	0.0	0.0	0.009462272130598606	0.020948518345946528	0.0003625077758983113	0.013986558449786838	0.004622001930835286	0.00592500200154617	0.0007125367443465361	0.0	0.0	0.0	6.489403936261245e-05	0.0	0.0028786035259538195	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034052764936979363	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009466674230912089	0.0	0.0	0.0	0.0005583440207947254	0.0	0.006236227462295634	0.002449320506625997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0023188635945688304	0.0	0.0	0.0	0.000916065458727453	0.0005120240183989514	0.0	0.0	0.009118923554822543	0.0	0.0	0.0	0.0	0.0	0.0	0.002286987446994536	0.0	0.0	0.0	0.0	0.0	0.0008056506402599231	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16503091278673038	0.0	0.0	0.0	0.0008504261452660366	0.0	0.0021885601413530035	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02046980812589511	0.020766363898012424	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,5,5',6-Hexachlorobiphenyl	0.043596320441085745	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00029889976157479155	0.002568019026522496	0.00830246293412037	0.0006599438741232189	0.0	2.5344072098742978e-05	0.007970807670055868	0.01801876665703224	0.0	0.00023374635346018317	0.0	0.013803342476656563	0.017394714045051253	0.003129079491018446	0.0	0.0	0.0	0.0004626141517962805	0.0	0.000229277318833334	0.013702164259907208	0.0	0.0	0.006600922787271123	0.010628097459746607	0.0	0.0	0.0	0.00027159761622979765	0.0	0.0	0.0	0.0	0.0008568881033431689	0.0	0.0033236082740318302	0.0	0.0	0.0	0.0	0.0	0.0	0.0015480536063064167	0.0	0.0	0.0053714790029481055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0025111345946141005	0.0	0.0	0.0	0.0	0.0	0.0	0.00751922729241427	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005387137514215587	0.0006752372116501133	0.0	0.0	0.2743507777729569	0.0	0.00040611941677293705	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007142459164134816	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022209224789550543	0.0	0.0	0.0	0.0	0.0	0.0	0.007511807671511844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006975827954385402	0.0	0.0	0.0
+2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	0.09702073561297414	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014152269551178417	0.0016559233135037144	0.0	2.902408189633779e-05	0.0012657382033010184	0.049953919110751366	0.0	0.0005363162615259707	0.0	0.010365340490780674	0.0	0.0034419002358847097	0.0	0.0	0.0	0.0003819857288850296	0.0	0.0	0.0025515912911531296	0.0	0.0	0.0003959375062846115	0.002188413893311695	0.010497656519105303	0.0796114917141898	0.0	0.0014963302231645638	0.007731948769326396	0.0	0.0	0.0	0.0006285634498332618	0.0	0.0028874356869770883	0.0	0.0	0.0	0.0	0.0	0.0	0.0014058895092105878	0.0	0.0	0.0	0.0	0.027144553661040374	0.00539872490618415	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006308707427508997	0.0	0.0	0.0	0.0010029761151723214	0.0	0.0	0.006039262078542297	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001313330018586096	0.0	0.0	0.0	0.03359994833740442	0.011201570809457424	0.00019008274442714932	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014009451631995995	0.0	0.0	0.0	0.0	0.006973125380539619	0.0	0.01851556495512021	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	0.07807529140839023	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012544208215654684	0.019426993385188086	0.0015391857933950758	0.00039367435752228977	4.325173073164271e-05	0.0033849186058063693	0.03895146366747766	0.0	0.0003465976403446461	0.0	0.0006116983697221737	0.0	0.0059859455749183025	0.0	0.0	0.0	0.0009980709787705518	0.0	0.0	0.009093749623873007	0.0	0.0	0.014604289385783446	0.005207077815033012	0.0054886021749250315	0.0	0.0	0.0008450609056736769	0.005518971647430402	0.0	0.0	0.0	0.0028718139289726895	0.0	0.000759459998193797	0.0	0.0	0.0	0.0	0.0	0.0	0.0017228323724899292	0.0	0.0	0.010001890539453218	0.0	0.08270948045316778	0.010673609172271862	0.02131113478778622	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005099027358067626	0.018166326918686557	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008009833925611637	0.003466433366065061	0.0	0.0	0.0	0.028453141573959687	0.047884793265694205	0.00016318699801554028	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0032427834425724396	0.0	0.0	0.0012076557175746175	0.0065268398355721935	0.24826009298596555	0.0	0.02517273877163112	0.0	0.0	0.021025538537358047	0.005185843274708612	0.0	0.0019938470082004507	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	0.04317992391733571	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016615610335680184	0.01725175519201964	0.0013894757959060854	0.0	3.966874999705295e-05	0.0032796123895223106	0.021080690824059937	0.0	0.00036928907476944033	0.0	0.009447618770997814	0.0	0.005741022983884597	0.0	0.0	0.0	0.0007845222175880935	0.0	0.0	0.009187306243157235	0.0	0.0	0.008505897905373776	0.0053517186346184725	0.0037061183747207115	0.0	0.001223717941424638	0.0006642148021504717	0.0007731349824931419	0.0	0.0	0.0	0.03879015702561951	0.0	0.0009672131491019777	0.0	0.0	0.0	0.0	0.0	0.0	0.0031636335807472427	0.0	0.0	0.009867353643160437	0.0	0.09043515159816724	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005836232576120157	0.007622103080935968	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002626561500265433	0.0	0.0	0.0	0.026123291757687413	0.03386098987214199	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000212259147241055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002863831201952199	0.0	0.0	0.0011129374000435528	0.004084882154909353	0.23748098935395204	0.0	0.026701594138246444	0.0	0.0	0.0	0.004736047429690803	0.0	0.0008737915898524705	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4,5,5'-Hexachlorobiphenyl	0.03273050404142966	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00024144082846253183	0.0026694647045262627	0.009207269545768167	0.00019399888738585213	0.0	2.0768823097211413e-05	0.008634405654859494	0.014907337608741742	0.0	0.0	0.0	0.01269680425230821	0.013152512111210098	0.002907310437164497	0.0	0.0	0.0	0.0004746908703110637	0.0	0.0002446192121164621	0.012281192015463292	0.0	0.0	0.006107176780926201	0.01029452152775404	0.0	0.0	0.0	0.00028227939574055396	0.0	0.0	0.0	0.0	0.0008388135783614706	0.0	0.003214420646870965	0.0	0.0	0.0	0.0	0.0	0.0	0.0017758454500628356	0.0	0.0	0.005647819755497543	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002310327250831177	0.0	0.0	0.0	0.0	0.0	0.0	0.007144189597164855	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0056675201535374645	0.0	0.0	0.0	0.28000423498582333	0.0	0.0003821169959466488	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006432247924737892	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013295507546528945	0.0	0.0	0.0	0.0	0.0	0.0	0.006767848794028429	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0074426094423329274	0.0	0.0	0.0
+Praziquantel	0.0012678409174335828	0.0	0.0	0.0	0.0	0.0	0.0009444989717449216	0.007486846702461482	0.0	0.0	0.004041552597474589	0.0	0.008048655392458802	0.0	0.0001299655932510004	0.03246511030762905	0.0	0.0	0.0	0.00038214668180012627	0.01401832151851072	0.0	0.03462207395753659	0.004490225685750303	0.0	0.0	0.0	0.0	0.013433584184097385	0.00406332325552603	0.0	0.0	0.00916863739862026	0.03984093156882754	0.0	0.0	0.0	0.014328733909866614	0.0352727221936598	0.008110215318517586	0.0	0.0	0.0001813925370849002	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01625541729363717	0.0	0.0002795751454858293	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07958135980319712	0.0	0.0	0.0006278033578432634	0.0	0.6840766738581763	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016341736944710503	0.0	0.0	0.007884192224674269	0.02077977999482823	0.0012558099840507633	0.0009115196382504618	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.3024801127581045	0.0	0.0	0.0018998451300905157	0.017237244228230444	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00921327437036849	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.260732240603901	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2851764103867605	0.0	0.0	0.0
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+Bromuconazole_isomer2	0.005642136859328345	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005246748849650805	0.0	0.0	0.0023728662881652603	0.0008662285425131222	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007302127609902379	0.0027244695255653063	0.0	0.0	0.0	0.003108111833888402	0.003434856864452906	0.0	0.0	0.002590147711577977	0.0	0.0005246404053783914	0.0	0.0	0.017848542369718532	0.0	0.00040428944861547664	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016378370302306013	0.0	0.0	0.007859004003743314	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.7127828451721377	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013187543367429414	0.0	0.0	0.0	0.0	0.0	0.020550725164029834	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00767600536508815	0.0	0.0	0.0	0.016863348341614987	0.0	0.0	0.0	0.006588266178951872	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Difenoconazole_isomer1	0.03439360977028098	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06584178642967592	0.002484673149065534	0.0	0.001525728409436121	0.000372639875761228	0.0	0.0	0.00010043248602765769	0.0003522949203592121	0.0	0.0	0.0005863593772361642	0.0	0.0	0.0	0.0	0.000914839890889474	0.0	0.0	0.0	0.004567406790864904	0.0	0.0	0.0	0.0	0.0	0.0005395220049012837	0.0006572905827634442	0.0	0.0	0.00966795592656896	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002051948048674179	0.0	0.0	0.013593485783910278	0.0	0.014565160296184286	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03873768767929714	0.0	0.0	0.0	0.0	0.02546148101538813	0.0	0.0233265409284287	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006157791457313885	0.001809583193431687	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.3935774707401791	0.0	0.0	0.0	0.0	0.0	0.0	0.0070623879441391825	0.0	0.0	0.0	0.0019406061437689092	0.011387153790613324	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Difenoconazole_isomer2	0.03553284820744856	0.0	0.0	0.0	0.0	0.0	5.132741344328644e-05	0.0004069695185472101	0.0	0.0	0.0	0.0	0.0668491289952021	0.002533960551001549	1.1963690848520594e-05	0.0021978600975749436	0.0	0.0	0.0	0.00012635926175228775	0.00037840291223078544	0.0	0.0	0.0004801317780190564	0.0	0.0	0.0	0.0	0.0004360267185086929	0.003021571746245111	0.0	0.0	0.00488897344301464	0.0005520190887123007	0.0	0.0	0.0	0.0	0.0010336890139028654	0.00031327476945759464	0.0	0.0	0.01201645364498877	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000977989900881805	0.0	0.0	0.015009572036051438	0.0	0.018314523826280214	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03444240873058353	0.0	0.0	0.0	0.002130619596420002	0.010254031872114619	0.004681299140263795	0.02587548436786699	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000886393439428457	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007067912505553956	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005873019527038155	0.0	0.0	0.43317358996336186	0.0	0.0	0.0	0.0	0.0	0.0	0.007559497203634716	0.0	0.0	0.0	0.0	0.012244904999043	0.0	0.0005917939121518802	0.005983322942997761	0.0	0.007886471196693536	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0071281789540816685	0.0	0.0
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+Epoxiconazole	0.00930880849474662	0.0	0.0	0.0	0.0	0.0	0.011901362630771475	7.117087928161941e-05	0.0	0.0011599493799684256	0.014211161359136951	0.0	0.0001251663670121601	0.0	2.4701084366555615e-05	0.04036800614959892	0.03845344161212977	0.0	0.07313225916488224	0.0017091172980699238	0.0017080974988760763	0.0	0.031202021075093594	0.0015774393628961523	0.0	0.009963752787712554	0.003818513400135997	0.0	0.0275996118114585	0.003313780923485362	0.0	0.0	0.05194077594963001	0.06382016702872034	0.0	0.0	0.0013483730207915741	0.0	0.0013036447477938768	0.011515867391595797	0.0	0.0	0.006356429049962456	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002244307719823989	0.005110295262005471	0.0	0.2557235415238599	0.0	0.04907887536938304	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008535876423928409	0.0	0.014731022225334445	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019948464982392142	0.0	0.008406010948570785	0.031033456403073926	0.0036439117960984564	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002028163306971366	0.0	0.0	0.02781379400156563	0.0	0.0	0.002432727458665552	0.0	0.0	0.11431527796038157	0.0	0.0	0.0	0.0	0.07764695310840075	0.0	0.0346739321208841	0.002540035017695434	0.02877360295922362	0.07991385800166736	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02397497396968701	0.0	0.0	0.0	0.055240355567981306	0.0	0.0	0.0	0.0	0.0	0.0	0.0046541340390405615	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Penconazole	0.00012404200989491064	0.0	0.0	0.0	0.0	0.0	0.017407304487324568	0.00039947796408749806	0.0	0.0	0.0007708016302564188	0.0	0.018106036337563837	0.0	0.0	0.0036951906662049294	0.002087739241759528	0.0	0.0	0.0002843870851176618	0.0	0.0	0.03464730737249992	0.0	0.0	0.013014700578032126	0.0	0.032993017498386776	0.0005629885059901328	0.07836476567926473	0.0	0.0	0.0	0.0057922547006163064	0.0	0.0	0.0007451658788848462	0.07929432826473883	0.0	0.0	0.0	0.0	0.010771877452492645	0.0	0.0191584339953958	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00973022937904911	0.0	0.00650815039870988	0.014048757919571867	0.002385654737669142	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006321452042059922	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015121662846663774	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015259731058496685	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0052009966087651705	0.016513084793746177	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.060763947613922356	0.0	0.0	0.0	0.0	0.0	0.008221512000108417	0.0	0.0	0.0
+Propiconazole_isomer1	0.008486303196419472	3.944681131585643e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00017401249744111854	0.0	0.0	0.0	0.0	0.0	0.0034979680940364194	0.03154891561757263	0.0	0.0	0.0002545425720232082	0.0	0.0	0.0038904220309830193	0.0	0.0	0.01042343326985813	0.0	0.0	0.0	0.0027417683504251883	0.0	0.0	0.010828925688614046	0.0	0.0	0.0	0.15730702340481711	0.003490263393056348	0.0	0.0033842126375736217	0.0	0.0	0.06136143800289668	0.0	0.00823135495073531	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008675849557059937	0.011954551647536494	0.020008228186830058	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.5778265021292126	0.0	0.0	0.03772324008103948	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002117129260352206	0.0	0.00332089033321952	0.0	0.0	0.0	0.01040068286134778	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07772735944356828	0.0022812144948066637	0.0	0.0	0.0	0.0	0.0	0.0	0.0016776530900332411	0.08401924055537831	0.0017627412124183203	0.0005480164983333369	0.0	0.0	0.0	0.0	0.029714691309691062	0.0	0.0	0.007838877876356452	0.0	0.005361210487526337	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0040136110155643825	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Propiconazole_isomer2	0.0029217271740833665	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020800128750877935	0.032173876164885	0.0	0.0	0.0007865897399740887	0.0	0.0	0.0009530130472602012	0.0	0.0	0.0	0.0	0.0	0.0	0.004072363620047564	0.0	0.0	0.016274882105929478	0.0	0.0	0.0	0.23078873703614217	0.004358166544689622	0.0	0.0	0.0	0.0	0.01041340937621569	0.0	0.00011017381139660167	0.0	0.0	0.0	0.0	0.0	0.0	0.00098778628694776	0.0	0.0	0.0	0.0	0.012115300952290702	0.011287325743178261	0.0007423577748151241	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.6335417442437353	0.0	0.0	0.03847558633399148	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0018657156362582017	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08836655898880821	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018222707927888528	0.0	0.0005353766785217873	0.0	0.0	0.0	0.0	0.014860093629167438	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tebuconazole	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0001031495229705255	0.0	6.958312281180528e-05	0.022964173999465994	0.0	0.011909014152141848	0.0	0.0	0.010401569358394824	0.0058601213149884705	0.0	0.015793842052065517	0.0	0.0	0.0	0.010282675405633527	0.0	0.0	0.05420292741053422	0.0	0.0	0.03904644663627499	0.0030875511068615986	0.0	0.0	0.00848426739820431	0.008549919397938577	0.0	0.0	0.001615698863360099	0.0	0.0	0.01556620820934903	0.0	0.0	0.00012061980646188713	0.0	0.0002926858424627794	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01953130688685747	0.005633151645060449	0.0	0.03385110590614699	0.0	0.0155257510144992	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002193292368205507	0.0	0.0006632846585463199	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002034912887054097	0.0	0.0010463472261281513	0.022651367900896977	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010492267677427414	0.0	0.0	0.0014343314324378154	0.0	0.0	0.022252106637567128	0.0	0.0	0.0	0.0	0.012093740813001	0.0	0.0	0.0	0.009602433795660956	0.4919675018660424	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009044139912561044	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tetraconazole	0.004915317842223161	0.0	0.0	0.0	0.12154746411094572	0.0	0.004242975209242355	0.000153047474104604	0.0	9.09291378402659e-05	0.0008795130700351714	0.006576693901014327	0.0009309044872272934	0.0	0.0	0.008362106687392831	0.0009382799402881275	0.0	0.0	0.00024055835767094683	0.0	0.0	0.008545729812877243	0.0	0.0	0.0	0.0	0.0	0.0011748529855326972	0.013410849764217095	0.0	0.0	0.0	0.0	0.0	0.0	0.038535734582240064	0.01334937779985783	0.0	0.0009052794146544726	0.0	0.0	0.024117280689981455	0.0	0.02926075303665523	0.0	0.0	0.0	0.0	0.0	0.0	0.0033243093418289875	0.0	0.002826126491262517	0.009014774806284567	0.0	0.019471250523430586	0.07918139075607412	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06656953579985672	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017731386169539086	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002509345243588998	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03275837199430424	0.0	0.0	0.0	0.024118782903372892	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018842038382647624	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.025581367390648917	0.0	0.0	0.0
+Triadimenol_isomer1	0.002290042068422816	1.7693988874302066e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00013667191781457927	0.0	0.0	0.003922429137892946	0.005365745879167409	0.0	0.017397832477615168	0.0	0.0	0.0	0.0	0.00016312302521858342	0.0	0.0016213521205063826	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017225888566283487	0.003429650184053382	0.0	0.0	0.03010138506286429	0.0006355734176915641	0.0	0.013362139144799823	0.0	0.0	0.0	0.0	0.0003134882793843763	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00022241623484038398	0.0	0.0	0.012571054101917374	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005990002194919335	0.0011021317744310962	0.0015017914766961508	0.007238142838620105	0.0	0.0	0.0	0.6530903778998592	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1543437479888584	0.0	0.0	0.0022418759285778556	0.005642441604512683	0.0	0.0030501852182674375	0.0	0.0	0.0	0.0	0.01570042942748086	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1330414448387918	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triadimenol_isomer2	0.006276306473865621	5.420398131149542e-05	0.0	0.0	0.0	0.0	0.00018015497476428505	9.120081948944864e-05	0.0	9.372255228346879e-05	0.0	0.0	0.004410933399701668	0.005626839246789384	0.0	0.02921241013740151	0.0	0.0	0.0	0.00023215477570955232	0.0	0.0	0.006563282967866243	0.0016193841714900997	0.0	0.0	0.0009787029340931135	0.007716216446825618	0.0	0.009728680561072388	0.0	0.0	0.001503862118862041	0.0029156511867728884	0.0	0.0	0.043317460691733284	0.0014601173053295764	0.0	0.01672559762938072	0.0	0.0	0.009343607023406574	0.0	0.00030781198022169923	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006666367409931448	0.00016648949111705772	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002776298351980177	0.0	0.0003302413367800612	0.0	0.002157419994880756	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012029045577249908	0.0	0.0	0.0	0.0	0.0	0.0	0.03343888196468822	0.0015357538696875676	0.0017442919493501656	0.010457548890340689	0.0	0.0	0.0	0.6220057644083183	0.0	0.0	0.0	0.0	0.0018610389927413381	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017869680668572304	0.0	0.0	0.14947938247085052	0.0	0.007213942325076391	0.0021608505442793427	0.006770184966165707	0.0	0.012051864363582514	0.0	0.0	0.0	0.0	0.014773501979452644	0.0	0.010327415767333675	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1324214959534009	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Metconazole	0.008017944522067898	0.0004277207268812338	0.0	0.0	0.0	0.0	0.009519086581549003	0.0010517540273030962	0.0	0.00017090045032513513	0.030140591361840798	0.0	0.0025247416989599264	0.01925513054203256	0.0	0.037788554602601485	0.0038106344382243702	0.0	0.011804475992025151	0.0	0.011461696529417921	0.0	0.0016158485609678865	0.0011925040305117518	0.0	0.011215047805859456	0.0	0.0	0.025714054799586387	0.007072441230863582	0.0	0.0	0.059217005742396925	0.05128883491700986	0.0	0.0	0.009818865584384653	0.0	0.0007323574814391828	0.06823103471307837	0.0	0.0	0.008918180841871279	0.0	0.0003070028871104122	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009466042079955989	0.03455656709947311	0.004005086797101127	0.11732540908850456	0.0	0.00981910555936478	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02720119830688543	0.0	0.0	0.0	0.02105458239958835	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034256734359774652	0.0016392398081739462	0.0022213136465426752	0.03401093541184531	0.041521409655381064	0.0	0.0	0.0	0.016381398008897693	0.0	0.0	0.0	0.0	0.04967011382209555	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009334381334465623	0.0	0.0	0.029282512515580617	0.0	0.04286615974011067	0.0024709001372657533	0.01850731035324377	0.0	0.030655449100018158	0.0	0.0	0.0	0.0	0.019067268189515756	0.0	0.0	0.009062313867480486	0.013628888882183188	0.6457097667608181	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.025240982056908938	0.0	0.0	0.0	0.08494543650654696	0.0	0.0	0.0	0.0	0.0	0.0	0.002479038931579708	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triflumizole	0.018129789256238288	9.023020141718359e-05	0.0	0.0	0.039851920815444704	0.0	0.02751604744669612	0.000861716801930206	0.0	7.944389081446076e-05	0.02370792926917194	0.0	0.01687214538963657	0.005019835740021592	0.0	0.0625760494690645	0.0012155719530806929	0.0	0.0006878862799597047	0.000693078121255599	0.03992777694776897	0.0	0.0541840744946252	0.0	0.0	0.005438634601264326	0.0	0.010750335917340722	0.02427138467945052	0.006663434080387859	0.0	0.0	0.007565153761468604	0.06159748247358587	0.0	0.0	0.012357386666979619	0.003410562998034278	0.0	0.09132530058084995	0.0	0.0	5.8990993255564286e-05	0.0	0.011585195571479856	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0032029760391306737	0.08877031470730601	0.0012376818779636558	0.004349171774980581	0.0	0.03972834237850036	0.0	0.0	0.0	0.0	0.0	0.009663727015571678	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021163801835013353	0.0	0.005712535234443155	0.0008998159605264395	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01358541775508095	0.0	0.0	0.0	0.0	0.007157714458534073	0.010581220126003016	0.0	0.0011615192650561517	0.0	0.0	0.0	0.0	0.028642800896043746	0.0	0.0	0.0045906890321988116	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008905673755964465	0.0	0.0	0.01933939129672466	0.0	0.0066333772993911145	0.00040690253907415234	0.0	0.0	0.0	0.0	0.0	0.0	0.007020458567354666	0.0	0.0	0.04596471950292259	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008813750467956523	0.0	0.0	0.0	0.0	0.10858411907186043	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011091880192677518	0.0	0.0	0.0
+Triticonazole	0.014693569996778807	0.0005521397863795841	0.0	0.0	0.007849457498820593	0.0	0.0009068795575195791	0.0021176369152790023	0.0	0.0007617997698321861	0.0062269286957758714	0.0	0.007420193202645456	0.005130280611340223	0.0	0.03341223126169953	0.00873668445523052	0.0	0.0032695078426615617	0.0	0.046910196730721415	0.0	0.0260794112052891	0.001488425129316827	0.0	0.0	0.0	0.0	0.012349264195218358	0.0010149045291995668	0.0	0.0	0.011190531584410858	0.2631877953005832	0.0	0.0	0.025060457743694507	0.018178949238271295	0.00042534141277390683	0.10289159970592594	0.0	0.0	0.03996520886605676	0.0	0.0152356713501556	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003982745109654614	0.05811919260329645	0.03919466322307228	0.0	0.006088654954827971	0.0004216635058037027	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00023098849594595133	0.004448786112241663	0.000984497927817012	0.0	0.0014995936368621227	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01349919958319952	0.0	0.0	0.011542723136085207	0.0	0.0	0.16885819011116895	0.027019534804863115	0.0011352220250239243	0.0	0.0	0.0	0.0	0.016645739075180434	0.0	0.0	0.5336996347532538	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018086522273077058	0.0	0.0	0.012010440443197688	0.0	0.00531032954008553	0.02283600134781841	0.0	0.0	0.01069945482912772	0.0	0.0	0.0	0.0	0.01053658819054525	0.0	0.0	0.0	0.0	0.07982324827144001	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010352776646506122	0.0	0.0	0.0	0.004922269785534916	0.0	0.0	0.0	0.0	0.0	0.0	0.0004485800572033395	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012287819396795008	0.0	0.0	0.0
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+17-beta-Estradiol	0.011645515226656952	0.0	0.0	0.0	0.0	0.0	0.033197330090311346	0.0011593949831483676	0.0	0.0003666624266849999	0.0060597692934718965	0.0	0.004225884413903199	0.0	0.0002108112007481792	0.02434907304272976	0.0	0.0	0.0	0.0	0.008492709503076607	0.0	0.0851769291245178	0.011038548259525516	0.0	0.0	0.0	0.03468818366946996	0.006088294442671763	0.0	8.491318225734283e-06	0.0	0.016877383172501113	0.0917270447400931	0.0	0.0	0.001204898384638665	0.006026466200524494	0.0	0.02029649739642846	0.0	0.0	0.0005115089156332656	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009975237545543905	0.0	0.0	0.15783621850779087	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003406740077282792	0.0	0.04893031785826824	0.0	0.011096414157598152	0.0	0.0	0.0	0.0	0.015695106722586144	0.006916250320571907	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11103518523395653	0.0	0.0	0.009847052943511085	0.012447881609859225	0.0	0.0	0.0	0.0	0.0	0.009772736748799709	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013392022272573741	0.0	0.0	0.0	0.0	0.0	0.0	0.0170977949652655	0.0	0.0	0.0	0.0	0.007944110068603821	0.0	0.0	0.0	0.03144579887339494	0.0	0.0026227987333341486	0.0	0.0	0.0	0.0	0.0	0.00888628352177265	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006847675369148999	0.0	0.0	0.0	0.05477359359289294	0.014982137997848576	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011712224528606202	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/fill.msp	Tue Mar 22 16:07:32 2022 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/fill2.msp	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,5150 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/matches_test1_out.tsv	Tue Mar 22 16:07:32 2022 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/matches_test3_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,387 @@
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+Benzofluoranthene	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Indeno[1,2,3-cd]pyrene	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+Benzo(g,h,i)perylene	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Anthanthrene	2	0	0	0	2	0	0	0	0	1	1	0	2	1	1	3	2	0	1	1	1	0	1	1	0	0	0	0	1	1	0	0	0	0	0	0	1	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Dibenzanthracene	0	1	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Coronene	2	1	0	1	0	0	1	0	0	0	0	0	1	1	0	1	2	0	1	1	1	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	1	0	1	2	0	0	0	2	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Dicofol	3	0	0	0	2	0	1	0	0	0	0	0	2	1	1	2	1	0	0	0	1	0	0	1	0	1	1	0	1	2	0	0	2	1	0	0	1	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Benzophenone	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	3	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2-tert-Butyl-4-methoxyphenol	0	1	0	1	0	0	0	1	0	0	1	0	1	0	1	2	1	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	3	3	0	0	1	1	1	1	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Butylated hydroxytoluene	0	1	0	0	0	0	1	1	0	0	0	0	0	0	1	2	1	0	0	0	0	0	3	0	0	0	1	0	1	1	0	0	2	5	0	0	0	0	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Bumetrizole	1	1	0	1	0	0	1	1	0	0	1	0	1	0	0	4	1	0	0	0	0	0	3	0	0	0	1	1	2	1	0	0	3	5	0	0	1	3	0	3	0	0	3	0	1	0	0	0	0	0	0	0	0	1	0	3	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4-Methylbenzophenone	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	1	3	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,4,6-Tribromophenol	4	1	0	0	0	0	0	0	0	0	1	0	2	1	0	4	0	0	0	0	0	1	0	1	0	1	1	0	2	1	0	0	2	2	1	0	0	4	1	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	2	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,6-Dichloro-4-nitroaniline	1	0	0	0	1	0	0	0	0	0	2	1	2	2	1	2	1	0	0	1	1	0	1	0	0	1	2	2	4	1	0	0	3	0	0	0	2	2	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	3	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	3	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	0	0	1	1	2	0	1	0	0	0	0	1	0	0	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+1-Methylphenanthrene	0	0	0	0	0	0	2	1	0	0	0	0	0	1	0	1	0	0	0	0	0	0	1	1	0	0	0	0	2	1	0	0	1	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+alpha-1,2,3,4,5,6-Hexachlorocyclohexane	3	0	0	0	0	0	1	0	0	0	0	0	1	0	1	2	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+delta-Hexachlorocyclohexane	3	1	0	0	0	0	1	0	0	0	0	0	1	0	1	2	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	2	0	1	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+2,3,3',4,5-Pentachlorobiphenyl	1	0	0	0	0	0	1	0	0	1	1	0	1	0	1	2	2	0	0	0	2	1	1	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
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+2,3',4,4',5',6-Hexachlorobiphenyl	4	0	0	0	0	0	0	0	0	1	1	1	2	0	1	3	2	0	1	0	3	1	1	0	0	0	1	0	1	1	0	0	3	1	0	0	0	0	0	1	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3,3',4,5,6-Hexachlorobiphenyl	4	0	0	0	0	0	0	0	0	1	1	1	1	0	1	2	1	0	0	0	3	1	2	0	0	0	1	0	1	2	0	0	1	2	1	0	0	3	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3,3',4',5',6-Hexachlorobiphenyl	3	0	0	0	0	0	0	0	0	1	1	1	1	0	1	3	2	0	1	0	4	1	1	0	0	0	1	0	1	2	0	0	2	2	0	0	0	0	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3,3',4',5,6-Hexachlorobiphenyl	2	0	0	0	0	0	0	0	0	1	0	0	1	0	1	2	2	0	1	0	1	0	1	0	0	0	0	0	0	1	0	0	1	2	0	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,3',4',5,5',6-Heptachlorobiphenyl	6	0	0	0	0	0	0	0	0	1	1	2	1	0	1	2	1	0	1	0	2	0	2	0	0	0	1	0	0	2	0	0	2	3	0	1	0	2	1	1	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Prallethrin	0	1	0	1	0	0	0	1	0	1	1	0	1	0	1	2	2	0	0	0	1	0	0	1	0	0	1	0	1	0	0	0	2	0	0	0	2	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Prallethrin	1	1	0	1	1	0	1	1	0	0	1	0	1	0	1	2	0	0	0	2	1	0	0	1	0	0	1	0	1	0	0	0	2	2	0	0	2	0	1	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	4	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	2	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+cis-Resmethrin	0	0	0	1	1	0	0	1	0	0	1	0	0	1	0	3	0	0	0	0	0	0	3	1	0	0	1	0	1	1	0	0	3	5	0	0	2	0	1	1	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+trans-Resmethrin	0	0	0	1	0	0	0	1	0	0	0	0	1	0	0	4	0	0	0	0	0	0	2	1	0	0	1	0	0	2	0	0	2	5	0	0	1	0	1	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+cis-Tetramethrin	0	0	0	0	2	0	1	0	0	2	0	0	3	0	0	2	1	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	1	1	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+trans-Tetramethrin	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	2	2	0	0	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Bifenthrin	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	3	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Fenpropathrin	0	0	0	0	1	0	0	1	0	1	1	0	2	1	0	4	0	0	0	1	2	0	2	1	0	1	0	0	1	1	0	0	2	3	0	0	1	1	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+cis-Phenothrin	0	1	0	1	0	0	0	1	0	1	1	0	2	0	0	4	1	0	0	0	1	0	1	1	0	1	1	0	2	1	0	0	1	4	0	0	3	0	1	1	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+trans-Phenothrin	0	0	0	1	0	0	0	1	0	1	1	0	3	0	0	4	1	0	0	1	1	0	0	1	0	1	1	0	2	1	0	0	2	5	0	0	2	0	1	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+cis-Cyphenothrin	0	0	0	1	0	0	0	1	0	0	0	0	3	1	0	3	0	0	0	1	0	0	2	1	0	2	1	0	0	0	0	0	3	3	0	0	2	1	1	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Cyphenothrin	0	0	0	1	0	0	0	1	0	1	0	0	2	1	0	2	0	0	0	1	0	0	2	1	0	2	1	0	0	0	0	0	4	3	0	0	2	1	1	2	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Flucythrinate_isomer1	0	1	0	0	0	0	0	2	0	1	1	0	2	1	1	7	0	0	1	1	2	0	1	2	0	1	1	0	2	0	0	0	4	5	0	0	1	1	0	2	0	0	3	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Flucythrinate_isomer2	0	0	0	0	0	0	0	2	0	1	1	0	3	1	1	6	0	0	0	0	2	0	1	2	0	1	1	0	2	1	0	0	3	3	0	0	1	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+cis-Fenvalerate	0	1	0	0	0	0	0	1	0	0	1	0	2	1	0	6	0	0	0	1	0	0	2	1	0	1	0	0	1	1	0	0	2	3	0	0	2	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Fenvalerate	1	1	0	0	0	0	1	1	0	1	1	0	4	2	0	6	1	0	0	1	0	0	1	1	0	2	1	0	1	0	0	0	4	4	0	0	3	1	1	2	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Deltamethrin	3	1	0	0	0	0	1	0	0	0	1	0	5	1	1	3	1	0	2	1	2	0	3	0	0	2	0	0	2	1	0	0	3	4	0	0	1	2	1	4	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	0	1	0	3	0	0	0	0	0	1	0	0	0	2	0	0	0	3	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	3	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Chlorpyrifos oxon	4	1	0	0	0	0	0	0	0	0	0	1	0	0	1	2	1	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	1	1	0	0	2	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	1	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	1	1	0	1	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+lambda-Cyhalothrin	0	0	0	0	0	0	0	1	0	1	0	0	1	1	0	3	0	0	0	1	0	0	1	1	0	1	0	0	0	1	0	0	1	3	0	0	1	2	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tefluthrin	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	1	1	0	0	0	0	0	0	0	0	2	1	0	0	1	2	0	0	1	2	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Transfluthrin	1	0	0	0	1	0	1	1	0	0	1	0	0	0	0	2	0	0	1	1	1	0	0	1	0	0	0	0	2	2	0	0	1	3	1	0	1	0	1	1	0	0	3	0	1	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
+cis-Permethrin	0	0	0	0	1	0	0	1	0	1	1	0	1	0	0	4	1	0	1	0	2	0	0	0	0	0	0	0	1	0	0	0	0	3	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Permethrin	0	0	0	0	0	0	0	1	0	1	1	0	1	0	0	3	1	0	1	0	2	0	0	1	0	0	0	0	2	0	0	0	0	4	0	0	1	0	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+cis-Allethrin	0	0	0	1	1	0	0	0	0	0	1	0	1	1	1	1	2	0	0	0	1	0	0	1	0	0	1	0	1	1	0	0	1	1	0	0	2	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	2	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Allethrin	0	0	0	1	1	0	0	1	0	0	1	0	2	0	1	1	1	0	0	0	1	0	1	1	0	0	1	0	1	1	0	0	2	1	0	0	2	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+trans-Cyfluthrin_Isomer2	1	1	0	0	0	0	0	1	0	0	1	0	3	1	1	4	2	0	2	2	0	0	4	2	0	0	1	0	1	2	0	0	3	2	0	0	1	0	0	2	0	0	2	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	4	0	2	1	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin	5	0	0	0	0	0	0	0	0	0	0	2	1	2	1	0	2	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	1	0	3	0	0	4	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin	6	0	0	0	0	0	0	0	0	0	0	6	1	2	1	0	3	0	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	4	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+1,2,3,7,8-Pentachlorodibenzofuran	2	0	0	0	0	0	0	0	0	0	0	2	1	1	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	3	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	2	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,4,7,8-Hexachlorodibenzofuran	3	0	0	0	0	0	3	0	0	0	0	1	1	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,4,6,7,8-Heptachlorodibenzofuran	3	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,7,8-Tetrachlorodibenzofuran	4	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	3	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	3	0	1	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,7,8-Tetrachlorodibenzo-p-dioxin	2	0	0	0	0	0	1	1	0	0	1	1	1	0	0	1	3	0	1	0	1	0	1	0	0	0	0	0	1	2	0	0	0	0	1	0	1	2	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,2,3,7,8-Pentachlorodibenzo-p-dioxin	2	0	0	0	0	0	0	1	0	0	0	2	1	0	1	1	3	0	1	0	2	0	0	0	0	0	0	0	0	1	0	0	0	0	2	0	1	2	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+2,3,4,5,6-Pentabromotoluene	4	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3,4,5,6-Pentabromoethylbenzene	9	0	0	0	0	0	0	0	0	0	0	7	0	1	0	2	2	0	2	0	0	1	1	0	0	0	0	0	0	1	0	0	2	0	0	1	0	3	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	1	2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Allyl 2,4,6-tribromophenyl ether	5	1	0	1	2	0	1	2	0	1	1	2	4	3	1	4	2	0	0	0	1	1	3	1	0	0	1	0	1	2	0	0	3	3	3	0	3	3	0	0	0	0	2	0	1	0	0	0	0	0	0	1	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	1	1	0	0	0	0	0	2	0	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+2,3,4,5,6-Pentabromobenzyl alcohol	7	0	0	1	0	0	5	1	0	1	1	4	2	4	1	3	2	0	1	1	0	2	4	2	0	1	1	0	2	1	0	0	3	4	1	4	1	1	1	3	0	0	2	0	1	0	0	0	0	0	0	0	0	1	2	1	1	1	1	0	0	0	0	0	0	0	0	0	2	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	1	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	1	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	6	1	0	0	0	0	0	0	0	2	1	3	1	1	1	3	1	0	0	0	0	0	1	1	0	0	1	0	1	1	0	0	2	0	0	0	1	0	1	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+syn-Dechlorane plus	11	0	0	0	0	0	0	2	0	0	1	2	1	0	1	2	5	0	1	1	4	1	2	1	0	0	0	0	2	0	0	0	0	2	2	0	0	2	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	2	0	0	0	0	0	3	0	0	0	0	0	1	1	1	0	1	0	0	0	1	0	1	1	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+beta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	2	0	0	0	0	0	3	0	0	0	0	0	1	1	1	0	0	0	0	0	1	0	1	1	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+1,2,5,6-Tetrabromocyclooctane	2	0	0	0	0	0	2	0	0	0	0	0	1	1	1	0	1	0	0	0	0	0	1	1	0	0	0	0	1	1	0	0	1	1	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	13	1	0	0	0	0	3	2	0	0	2	3	2	1	1	5	7	0	1	2	6	1	2	1	0	0	0	1	4	4	0	0	4	2	3	0	1	3	0	1	0	0	3	0	2	0	0	0	0	0	0	1	0	1	4	2	2	1	2	0	0	0	0	0	0	0	0	0	1	0	0	0	3	0	1	2	0	0	0	0	0	0	0	0	0	0	0	1	0	1	2	0	1	2	1	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	2	1	2	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+alpha-Amylcinnamaldehyde	0	1	0	0	0	0	0	1	0	0	0	0	1	0	1	3	0	0	0	1	2	0	1	1	0	0	0	1	1	0	0	0	1	4	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+trans-Cinnamaldehyde	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Celestolide	1	1	0	0	0	0	1	2	0	1	0	0	1	0	0	4	0	0	0	1	1	0	1	1	0	0	0	0	1	0	0	0	0	3	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Phantolide	1	1	0	0	0	0	0	1	0	1	0	0	1	0	0	4	0	0	0	0	1	0	3	2	0	0	0	0	1	0	0	0	0	3	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Tonalide	0	1	0	0	0	0	0	2	0	1	1	0	1	0	0	5	0	0	0	0	2	0	3	3	0	0	0	0	2	0	0	0	1	4	0	0	1	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0
+Traseolide	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Galaxolide	1	1	0	0	0	0	0	2	0	1	1	0	1	0	0	4	0	0	0	1	2	0	2	3	0	0	1	0	2	0	0	0	0	7	0	0	2	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	2	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Aldrin	9	0	0	0	0	0	3	1	0	0	2	1	1	0	1	5	5	0	2	0	4	0	1	0	0	0	0	1	3	1	0	0	4	1	3	0	0	3	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endosulfan	3	1	0	0	0	0	1	0	0	0	0	3	1	0	1	3	5	0	1	1	0	0	0	1	0	0	1	0	1	1	0	0	4	1	3	0	0	3	1	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	2	0	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	1	0	1	0	1	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Heptachlor	8	0	0	0	0	0	1	1	0	0	1	3	2	0	1	1	2	0	2	0	3	1	1	0	0	0	0	1	2	2	0	0	2	1	3	0	1	4	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Heptachlor epoxide	12	0	0	0	0	0	0	1	0	0	1	5	1	1	1	2	3	0	2	0	3	0	2	0	0	0	0	0	2	1	0	0	3	2	3	0	1	3	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endosulfan sulphate	10	0	0	0	0	0	0	0	0	0	0	5	0	0	1	2	5	0	1	1	2	1	3	0	0	0	1	0	0	1	0	0	4	1	3	0	1	2	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endrin ketone	14	1	0	0	0	0	1	1	0	0	1	3	0	2	1	3	7	0	0	1	4	0	2	0	0	0	1	1	3	3	0	0	4	1	2	0	1	4	0	0	0	0	2	0	2	0	0	0	0	0	0	0	0	0	3	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	3	0	0	0	0	0	0	0	0	0	0	0	1	0	3	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	0	0	0	2	1	1	2	1	0	0	0	2	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+trans-Chlordane	10	0	0	0	0	0	0	1	0	0	0	2	1	0	1	1	3	0	2	0	3	0	1	0	0	0	0	1	1	1	0	0	3	2	3	0	0	2	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+cis-Chlordane	10	0	0	0	0	0	0	1	0	0	1	3	1	0	1	2	3	0	2	0	3	0	0	0	0	0	0	1	2	1	0	0	4	2	3	0	0	4	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endrin aldehyde	17	2	0	0	0	0	1	1	0	0	1	3	1	1	1	5	8	0	1	1	4	1	2	1	0	0	1	1	3	2	0	0	6	3	4	0	2	2	0	1	0	0	2	0	2	0	0	0	0	1	0	0	0	0	2	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	3	0	0	0	0	0	0	0	0	0	0	0	2	0	3	3	0	0	0	1	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	1	0	0	1	1	2	1	1	0	0	0	2	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Endrin	14	2	0	0	0	0	0	1	0	0	1	2	1	1	1	2	7	0	1	1	4	0	1	1	0	0	1	1	3	2	0	0	5	1	3	0	1	3	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	2	0	2	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	2	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	1	0	0	2	1	2	2	1	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4,4'-Dichlorodiphenyldichloroethylene	2	0	0	0	0	0	0	0	0	0	1	0	3	2	0	1	1	0	0	1	0	0	1	0	0	1	0	1	2	1	0	0	1	0	0	0	2	1	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	1	0	0	0	1	0	0	2	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Methoxychlor	0	0	0	0	0	0	1	2	0	1	1	0	2	0	0	2	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	1	1	0	0	0	0	0	4	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+4,4'-Dichlorodiphenyldichloroethane	2	0	0	0	0	0	0	1	0	0	0	0	1	1	1	3	1	0	0	1	0	0	1	1	0	0	0	0	1	2	0	0	3	1	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4,4'-Dichlorodiphenyltrichloroethane	2	0	0	0	0	0	0	1	0	0	0	1	2	2	0	3	1	0	0	1	0	0	1	0	0	0	0	0	1	2	0	0	2	1	0	0	1	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(4-tert-butylphenyl) phosphate	0	0	0	0	1	2	0	1	0	1	0	0	1	0	0	1	1	1	0	0	0	0	0	0	2	0	1	0	0	0	0	0	2	1	0	0	0	0	0	2	0	0	2	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tri-n-butyl-phosphate	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(1,3-dichloro-2-propyl)phosphate	4	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	3	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	2	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tri-o-cresyl phosphate	0	0	0	0	1	0	1	1	0	1	0	0	1	1	0	3	1	0	0	1	1	0	1	1	0	0	3	0	1	2	0	0	2	3	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	3	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Tri-m-cresyl phosphate	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	3	1	0	0	1	1	0	0	3	0	0	2	0	0	0	0	0	1	3	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+Tri-p-cresyl-phosphate	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	3	1	0	0	1	1	0	0	5	0	0	2	0	0	0	0	0	1	2	0	0	1	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Isodecyl diphenyl phosphate	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	1	1	0	0	0	0	0	2	1	0	2	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(isopropylphenyl)phosphate	2	0	0	0	1	0	2	2	1	1	0	0	1	1	0	3	2	0	2	2	0	0	1	1	0	2	1	0	1	1	0	0	3	2	0	0	1	0	0	2	0	0	3	3	0	0	0	0	0	3	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(3,5-xylenyl)phosphate	0	0	0	0	0	0	0	0	0	2	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	1	1	0	0	0	0	0	2	1	0	0	1	0	0	3	0	0	2	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	1	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(2-butoxyethyl) phosphate	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	5	0	0	0	0	1	0	1	2	0	0	1	0	1	0	0	0	1	2	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0
+Tris(2-chloroethyl) phosphate	1	0	0	0	0	0	2	0	0	0	1	0	3	0	0	3	2	0	0	0	0	0	1	0	0	2	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(1-chloro-2-propyl) phosphate	1	1	0	0	0	0	0	1	0	0	1	0	1	0	1	1	0	0	0	1	0	0	0	0	0	0	1	0	1	1	0	0	2	1	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tris(2-ethylhexyl) phosphate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Triphenyl phosphate	3	0	0	0	0	0	2	1	0	0	0	0	4	0	0	1	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	1	0	1	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
+1,2-Benzanthraquinone	1	0	0	0	0	0	1	2	0	0	0	0	2	1	0	4	0	0	0	2	1	0	0	3	0	0	0	0	1	1	0	0	3	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,4-Chrysenequinone	1	1	0	0	0	0	2	2	0	0	1	0	4	1	1	4	1	0	0	2	1	0	3	3	0	1	2	0	3	2	0	0	4	1	0	0	1	1	0	3	0	0	3	0	2	0	0	0	0	0	0	0	0	1	2	0	1	1	1	0	0	0	0	0	1	0	0	0	0	0	1	0	2	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	2	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	1	1	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Hydroxychrysene	1	0	0	0	0	0	3	0	0	0	0	0	1	0	0	1	0	0	1	0	1	0	1	2	0	0	1	0	1	0	0	0	3	0	0	0	1	0	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1-Nitronaphthalene	0	0	0	0	0	0	0	1	0	0	1	0	1	0	1	3	0	0	0	1	1	0	1	0	0	0	0	0	1	1	0	0	3	4	0	0	0	2	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	1	0	0	2	2	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Hydroxyfluoren-9-one	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	1	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1,4-Naphthoquinone	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	3	0	0	0	0	2	0	0	0	0	0	0	1	0	2	0	0	3	2	0	0	0	3	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2-Methylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+1-Methylnaphthalene	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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+Trifluralin	4	0	0	0	0	0	3	1	0	0	1	0	2	1	1	5	0	0	0	2	2	0	3	1	0	0	0	1	2	1	0	0	1	3	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	2	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0
+2,2',3,4,4',5',6-Heptabromodiphenyl ether	11	1	0	0	0	0	0	0	0	0	0	4	1	3	1	3	1	0	1	0	1	0	1	1	0	0	0	0	1	0	0	0	0	0	5	1	0	2	2	1	0	0	1	0	1	0	0	0	0	1	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	1	2	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2-Chlorobiphenyl	1	0	0	0	0	0	2	0	0	0	1	0	1	0	0	3	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	0	2	0	0	0	1	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,3-Dichlorobiphenyl	2	0	0	0	0	0	3	0	0	0	1	1	3	0	0	4	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',5-Trichlorobiphenyl	1	0	0	0	0	0	3	0	0	0	2	1	2	0	0	4	1	0	0	0	1	0	1	0	0	0	0	1	3	1	0	0	2	0	0	0	1	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,4',5-Trichlorobiphenyl	1	0	0	0	0	0	3	0	0	0	2	1	2	0	0	3	1	0	0	0	1	0	1	0	0	0	0	1	3	1	0	0	2	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	0	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,5'-Tetrachlorobiphenyl	0	0	0	0	0	0	1	0	0	1	1	1	2	0	1	3	2	0	0	0	2	0	1	0	0	0	1	1	2	1	0	0	3	0	0	0	1	1	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3',4,4'-Tetrachlorobiphenyl	0	0	0	0	0	0	1	0	0	0	1	1	2	0	0	2	1	0	0	0	1	0	0	0	0	0	0	0	2	1	0	0	2	0	0	0	1	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,4',5,5',6-Heptachlorobiphenyl	6	0	0	0	0	0	0	0	0	0	1	2	1	0	1	2	1	0	1	0	3	1	2	0	0	0	0	0	0	2	0	0	1	2	0	1	0	3	1	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4,4',5',6-Heptachlorobiphenyl	6	0	0	0	0	0	0	0	0	1	1	2	1	0	1	2	1	0	1	0	2	1	2	0	0	0	1	0	0	2	0	0	3	2	0	1	0	4	1	0	0	0	2	0	1	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,3',4,4',5-Heptachlorobiphenyl	6	0	0	0	0	0	0	0	0	1	1	2	1	0	1	2	1	0	1	0	2	1	2	0	0	0	1	0	0	2	0	0	3	2	0	1	0	4	1	0	0	0	2	0	1	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4,5'-Pentachlorobiphenyl	1	0	0	0	0	0	1	0	0	1	1	1	1	0	1	2	2	0	0	0	3	1	1	0	0	0	1	0	2	1	0	0	3	1	0	0	0	0	0	0	0	0	3	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,3,3',4',6-Pentachlorobiphenyl	1	0	0	0	0	0	1	0	0	1	1	1	1	0	1	2	1	0	0	0	2	1	1	0	0	0	0	0	2	1	0	0	1	1	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	10	0	0	0	0	0	0	0	0	0	1	3	0	1	1	2	1	0	1	0	1	1	2	0	0	0	0	0	1	1	0	0	1	3	1	2	1	5	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	1	2	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,5,5',6-Hexachlorobiphenyl	4	0	0	0	0	0	0	0	0	1	1	1	2	0	1	3	2	0	1	0	4	1	1	0	0	0	1	0	1	2	0	0	2	2	0	0	0	1	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	11	0	0	0	0	0	0	0	0	0	0	6	2	0	1	1	2	0	1	0	2	0	2	0	0	0	1	0	0	1	0	0	1	1	2	2	0	3	2	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	9	0	0	0	0	0	0	0	0	0	1	4	2	1	1	4	3	0	1	0	1	0	3	0	0	0	1	0	0	1	0	0	4	1	3	0	0	2	2	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	1	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	0	0	0	0	0	0	0	0	0	0	0	0	0	3	2	0	0	0	2	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	2	0	1	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	9	0	0	0	0	0	0	0	0	0	1	4	2	0	1	3	3	0	1	0	2	0	3	0	0	0	1	0	0	1	0	0	2	1	3	0	1	1	1	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	1	0	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+2,2',3,4,5,5'-Hexachlorobiphenyl	3	0	0	0	0	0	0	0	0	1	1	1	1	0	1	3	2	0	0	0	4	1	1	0	0	0	1	0	1	2	0	0	2	2	0	0	0	1	0	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
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+Isocarbophos	2	0	0	0	0	0	0	0	0	0	1	1	2	0	0	2	1	0	1	0	0	0	0	0	0	0	1	0	1	0	0	0	3	2	1	0	1	0	1	1	0	0	2	0	0	0	0	0	0	0	0	0	0	1	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	3	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Acephate	3	0	0	1	3	0	3	2	0	0	0	0	3	2	0	3	4	0	0	3	1	0	4	4	0	0	1	3	2	4	0	0	0	1	0	0	1	1	0	3	0	0	0	0	2	0	0	0	0	0	0	0	0	1	0	1	1	1	1	0	0	0	0	0	0	0	0	0	1	0	2	0	1	2	0	0	0	0	1	1	1	0	0	0	0	0	0	1	1	0	1	2	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0
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+Mevinphos	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Dicrotophos	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	2	1	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Monocrotophos	1	0	0	1	0	0	1	0	0	1	1	0	3	0	0	3	1	0	0	1	2	0	2	1	0	0	1	1	2	1	0	0	2	0	1	0	1	0	1	2	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	1	0	0	1	0	0	0	0	0	0	2	2	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	2	0	0	0
+Dimethoate	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	0	0	1	1	0	0	1	0	0	0	0	1	0	0	0	3	1	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Dimethomorph _isomer1	2	1	0	0	0	0	2	1	0	0	1	0	2	1	0	2	0	0	0	0	2	0	0	0	0	0	0	0	2	1	0	0	1	2	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Dimethomorph_isomer2	2	1	0	0	0	0	2	1	0	0	1	0	2	1	0	2	0	0	0	0	2	0	0	0	0	0	0	0	2	1	0	0	0	1	0	0	1	0	0	3	0	0	1	0	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Vamidothion	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	2	0	0	0	0	0	0	2	0	0	0	0	0	1	1	0	0	2	1	0	0	0	2	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Temephos	2	0	0	0	1	0	1	2	0	0	2	0	2	0	0	2	1	0	1	1	0	0	1	0	0	0	0	1	2	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Methomyl	1	0	0	1	0	0	0	1	0	1	1	0	2	1	0	6	2	0	1	1	2	0	1	4	0	1	1	1	3	2	0	0	3	3	0	0	2	1	0	4	0	0	0	0	2	0	0	0	0	0	0	0	0	1	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	1	0	3	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	2	1	1	1	1	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	1	0	1	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0
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+Sulfentrazone	8	0	0	0	1	0	2	1	0	0	0	1	0	0	0	4	0	0	4	1	2	0	3	0	0	0	0	0	0	3	0	0	2	3	1	0	2	2	0	1	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	3	0	0	0	0	0	0	0	0	0	0	0	1	0	2	1	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Terbutryn	1	0	0	0	0	0	1	1	0	1	1	0	3	1	0	2	0	0	0	1	1	0	1	1	0	1	0	0	2	0	0	0	0	3	0	0	1	2	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Bitertanol_isomer1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Bitertanol_isomer2	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	2	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Bromuconazole_isomer1	2	0	0	0	0	0	0	1	0	0	0	0	0	0	0	3	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Bromuconazole_isomer2	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	1	0	0	0	0	0	0	0	0	1	1	0	0	0	1	1	0	0	1	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Cyproconazole_isomer1	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	4	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	2	1	1	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Cyproconazole_isomer2	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	1	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	2	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Diclobutrazol	2	1	0	0	0	0	0	2	0	0	1	0	1	0	0	4	0	0	1	2	1	0	1	0	0	1	0	1	2	1	0	0	2	2	0	0	2	1	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	1	1	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Difenoconazole_isomer1	3	0	0	0	0	0	0	0	0	0	0	0	3	1	0	1	1	0	0	1	1	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	3	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Difenoconazole_isomer2	3	0	0	0	0	0	1	2	0	0	0	0	2	1	1	2	0	0	0	1	1	0	0	1	0	0	0	0	1	1	0	0	1	1	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	2	0	0	0	2	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	1	0	0	0	0	2	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0
+Diniconazole	3	0	0	0	0	0	2	2	0	0	1	1	1	1	0	3	2	0	1	0	0	0	3	0	0	0	0	0	2	2	0	0	0	3	0	0	1	2	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	2	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	2	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Epoxiconazole	1	0	0	0	0	0	1	1	0	1	2	0	1	0	1	6	2	0	2	1	1	0	3	1	0	1	1	0	4	1	0	0	4	4	0	0	2	0	1	2	0	0	2	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	3	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	2	0	0	0	0	2	0	2	1	2	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Etoxazole	2	3	0	1	1	0	2	4	0	0	0	0	1	1	1	3	1	0	1	3	2	0	4	1	0	0	1	3	3	2	0	0	4	4	0	0	2	2	1	1	0	0	3	0	2	0	0	0	0	1	0	2	0	2	2	3	0	0	0	0	0	2	0	1	0	0	0	2	0	0	3	2	3	0	1	0	0	2	2	0	0	0	0	0	0	1	0	0	2	0	0	0	1	1	0	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	2	0	1	1	0	1	1	2	0	2	0	2	0	1	1	0	2	1	1	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Fenarimol	3	1	0	1	0	0	3	0	0	1	0	0	1	1	0	4	1	0	0	2	3	0	1	0	0	1	0	2	1	1	0	0	1	0	1	0	1	2	0	2	0	0	0	0	2	0	0	0	0	0	0	1	0	1	2	0	0	0	1	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Fluquinconazole	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	1	0	0	0	0	0	1	0	0	0	0	0	2	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Flusilazole	1	0	0	0	0	0	2	1	0	1	0	0	0	0	0	3	1	0	0	1	2	0	2	0	0	2	0	0	1	1	0	0	0	1	0	0	0	0	1	2	0	0	1	0	2	0	0	0	0	0	0	0	0	1	1	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Flutriafol	0	0	0	0	0	0	1	1	0	1	0	0	1	0	0	2	0	0	0	1	1	0	2	1	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Hexaconazole	5	0	0	0	0	0	3	1	0	0	1	1	0	1	0	1	0	0	1	1	0	0	2	1	0	0	0	1	2	1	0	0	1	1	0	0	2	3	1	0	0	0	1	0	2	0	0	0	0	0	0	1	0	0	1	2	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Nuarimol	4	2	0	0	0	0	1	2	0	1	1	0	2	1	1	3	3	0	0	1	3	0	3	2	0	1	0	0	1	1	0	0	3	1	1	0	3	3	0	2	0	0	1	0	3	0	0	0	0	0	0	1	0	1	2	3	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	2	2	0	0	0	0	1	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Paclobutrazol	1	0	0	0	1	0	0	2	0	0	1	0	1	0	1	4	1	0	1	0	1	0	2	0	0	0	0	0	1	1	0	0	2	2	0	0	2	1	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	1	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	1	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	1	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Penconazole	1	0	0	0	0	0	2	2	0	0	1	0	2	0	0	3	1	0	0	1	0	0	2	0	0	1	0	1	2	1	0	0	0	2	0	0	1	1	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0
+Propiconazole_isomer1	4	1	0	0	0	0	0	0	0	1	0	0	0	0	0	4	4	0	0	1	0	0	2	0	0	1	0	0	0	1	0	0	2	0	0	0	1	1	0	1	0	0	3	0	2	0	0	0	0	0	0	0	0	0	0	0	1	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	1	1	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Propiconazole_isomer2	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	3	0	0	1	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	1	1	0	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tebuconazole	0	0	0	0	0	0	0	1	0	1	1	0	1	0	0	3	1	0	1	0	0	0	2	0	0	3	0	0	3	1	0	0	1	3	0	0	1	0	0	2	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	0	1	0	3	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	2	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Tetraconazole	2	0	0	0	3	0	2	1	0	1	1	1	1	0	0	2	1	0	0	1	0	0	2	0	0	0	0	0	2	1	0	0	0	0	0	0	1	1	0	1	0	0	1	0	2	0	0	0	0	0	0	1	0	1	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Triadimenol_isomer1	1	1	0	0	0	0	0	0	0	1	0	0	1	1	0	2	0	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	1	1	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Triadimenol_isomer2	4	1	0	0	0	0	1	1	0	1	0	0	2	1	0	4	0	0	0	1	0	0	3	2	0	0	1	1	0	3	0	0	2	2	0	0	2	2	0	2	0	0	3	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	2	1	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	1	1	0	2	0	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Metconazole	3	2	0	0	0	0	3	1	0	1	1	0	2	1	0	6	3	0	1	0	2	0	1	1	0	3	0	0	3	2	0	0	3	6	0	0	2	0	1	2	0	0	3	0	1	0	0	0	0	0	0	0	0	1	1	2	1	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	3	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	1	1	0	2	0	0	0	0	2	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Triflumizole	2	1	0	0	1	0	3	1	0	1	2	0	3	1	0	5	2	0	1	2	4	0	2	0	0	2	0	1	4	2	0	0	2	4	0	0	3	1	0	4	0	0	1	0	3	0	0	0	0	0	0	0	0	1	3	1	1	0	3	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	2	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Triticonazole	3	1	0	0	1	0	2	2	0	2	2	0	2	1	0	6	2	0	2	0	4	0	2	2	0	0	0	0	5	1	0	0	3	6	0	0	2	1	1	2	0	0	2	0	2	0	0	0	0	0	0	0	0	1	1	3	0	1	1	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	3	1	1	0	0	0	0	1	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	1	2	0	0	2	0	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Ipconazole	2	1	0	0	0	0	2	1	0	0	1	0	4	1	0	6	2	0	0	0	1	0	4	1	0	2	1	0	2	2	0	0	3	6	0	0	2	0	0	4	0	0	3	0	2	0	0	0	0	0	0	0	0	1	1	3	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	2	0	0	0	1	0	1	0	0	0	0	0	0	0	1	1	2	2	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	1	1	2	0	2	0	0	0	0	2	0	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0
+Fuberidazole	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
+Fenpropimorph_isomer1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Fenpropimorph_isomer2	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Spirodiclofen	3	2	0	0	0	0	4	1	0	0	1	1	4	0	0	4	3	0	1	2	4	0	2	0	0	1	0	0	2	1	0	0	3	1	0	0	1	1	1	1	0	0	2	0	1	0	0	0	0	0	0	1	0	1	3	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	2	0	0	1	0	0	0	0	0	0	1	0	0	0	1	1	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Spiromesifen	1	1	0	1	0	0	2	2	0	1	1	0	2	1	0	5	0	0	0	1	3	0	3	4	0	1	2	1	2	1	0	0	1	7	0	0	2	0	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	3	0	0	2	0	0	1	0	0	0	0	0	0	1	2	0	1	0	0	0	0	1	2	0	1	0	0	0	0	0	2	0	0	3	1	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	1	0
+Spirotetramat	2	2	0	1	0	0	2	5	0	2	1	0	6	1	0	7	1	0	1	2	4	0	4	8	0	3	2	1	2	1	0	0	3	7	0	0	3	0	0	4	0	0	2	0	0	0	0	0	0	0	0	1	0	0	1	3	0	0	3	0	0	3	0	0	1	0	0	1	0	0	3	1	3	0	0	0	0	0	2	2	3	0	1	0	0	1	0	0	3	0	2	3	2	0	0	0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	0	1	2	1	0	1	1	0	0	1	2	0	1	0	2	0	0	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	1	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0
+17-alpha-Ethynylestradiol	1	0	0	2	0	0	2	2	0	1	1	0	4	1	1	5	1	0	0	1	2	0	3	4	0	2	2	1	2	1	0	0	3	7	0	0	1	1	0	4	0	0	2	0	0	0	0	0	0	1	0	1	0	0	0	2	0	1	2	0	0	1	0	0	0	0	0	0	0	0	1	0	3	0	1	0	0	0	0	2	1	0	0	0	0	0	0	0	2	1	0	3	1	0	0	0	0	0	1	0	0	2	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	1	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	2	1	0	0
+Bisphenol A	0	0	0	0	0	0	1	1	0	1	0	0	1	0	0	3	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	1	3	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+4-tert-Octylphenol	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
+Estrone	1	0	0	0	0	0	1	1	0	1	1	0	3	1	1	6	0	0	0	2	1	0	2	7	0	1	3	1	2	1	0	0	3	7	0	0	0	1	0	3	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	1	0	3	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	2	0	0	3	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0
+17-beta-Estradiol	2	0	0	0	0	0	4	2	0	1	1	0	2	0	1	4	0	0	0	0	1	0	4	4	0	0	0	1	1	0	1	0	1	6	0	0	1	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	1	0	3	0	1	0	0	0	0	2	1	0	0	0	0	0	0	0	2	0	0	2	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
+Progesterone	2	3	0	2	0	0	3	3	0	2	2	0	4	2	1	6	1	0	0	2	2	0	4	9	0	4	3	1	5	2	1	0	3	6	0	0	3	0	2	4	0	0	2	0	1	0	0	0	0	1	0	1	0	1	1	1	1	1	2	0	0	2	0	0	1	0	0	0	0	0	2	1	4	0	1	0	0	1	2	2	2	0	1	0	0	2	0	0	2	2	3	3	2	0	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	0	0	0	0	0	1	2	1	0	0	1	0	1	0	2	0	1	0	1	0	0	1	2	2	1	0	1	0	0	0	0	0	0	0	0	0	0	2	0	2	0	0	0	2	1	0	1	0	0	0	1	0	0	0	1	1	0	0	0	0	0	2	1	0	0
+Testosterone	1	1	0	1	1	0	0	2	0	1	1	0	4	1	1	5	0	0	0	1	2	0	3	7	0	2	2	1	4	1	0	0	3	3	0	0	1	0	1	2	0	0	3	0	1	0	0	0	0	0	0	0	0	1	1	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	1	0	4	0	1	0	0	0	0	1	1	0	0	0	0	2	0	0	2	2	3	1	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	1	1	0	0	0	1	0	2	0	2	0	1	0	0	0	0	1	1	2	1	0	1	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/matches_test4_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,387 @@
+	Perylene_2H12	Perylene	Phenanthrene_2H10	Phenanthrene	Anthracene	Acenaphthylene	Acenaphthene	Fluoranthene	Pyrene	para-Terphenyl	Retene	Benzo[b]naphtho[2,1-d]thiophene	2,3-Benzofluorene	Benzo[ghi]fluoranthene	Triphenylene	Benzanthracene/Benzophenanthrene	Benzofluoranthene	Benzo(k)fluoranthene	Benzo[e]pyrene	Benzo(a)pyrene	Indeno[1,2,3-cd]pyrene	Benzo(g,h,i)perylene	Anthanthrene	Dibenzanthracene	Coronene	Dicofol	Benzophenone	2-tert-Butyl-4-methoxyphenol	Butylated hydroxytoluene	Bumetrizole	4-Methylbenzophenone	2,4,6-Tribromophenol	2,6-Dichloro-4-nitroaniline	1-Methylphenanthrene	Triclosan	Drometrizole	Enzacamene	2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	Octrizole	1,2,7,9-Tetrachlorodibenzofuran	2,2',3,4,5,5',6-Heptachlorobiphenyl	2,4,6-Trichlorobiphenyl	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	Mirex	beta-Hexachlorocyclohexane	alpha-1,2,3,4,5,6-Hexachlorocyclohexane	Lindane	delta-Hexachlorocyclohexane	epsilon-Hexachlorocyclohexane	Pentachlorobenzene	Hexachlorobenzene	2,4'-Dichlorodiphenyldichloroethylene	2,4'-Dichlorodiphenyldichloroethane	2,4'-Dichlorodiphenyltrichloroethane	1,2,7,9-Tetrachlorodibenzo-p-dioxin	2,4,4'-Trichlorobiphenyl	2,2',4,5,5'-Pentachlorobiphenyl	2,3',4,4',5-Pentachlorobiphenyl	2,2',3,4,4',5'-Hexachlorobiphenyl	2,2',4,4',5,5'-Hexachlorobiphenyl	2,2',3,4,4',5,5'-Heptachlorobiphenyl	2,2',5,5'-Tetrachlorobiphenyl	2,3',4,6-Tetrachlorobiphenyl	2,3',5',6-Tetrachlorobiphenyl	2,2',3,4',5-Pentachlorobiphenyl	2,3,3',4,5-Pentachlorobiphenyl	3,3',4,5,5'-Pentachlorobiphenyl	2,3',4,4',5',6-Hexachlorobiphenyl	2,3,3',4,5,6-Hexachlorobiphenyl	2,3,3',4',5',6-Hexachlorobiphenyl	2,3,3',4',5,6-Hexachlorobiphenyl	2,3,3',4',5,5',6-Heptachlorobiphenyl	cis-Prallethrin	trans-Prallethrin	cis-Resmethrin	trans-Resmethrin	cis-Tetramethrin	trans-Tetramethrin	Bifenthrin	Fenpropathrin	cis-Phenothrin	trans-Phenothrin	cis-Cyphenothrin	trans-Cyphenothrin	Flucythrinate_isomer1	Flucythrinate_isomer2	cis-Fenvalerate	trans-Fenvalerate	Deltamethrin	Chlorpyrifos oxon	lambda-Cyhalothrin	Tefluthrin	Transfluthrin	cis-Permethrin	trans-Permethrin	cis-Allethrin	trans-Allethrin	cis-Cypermethrin_isomer1	trans-Cypermethrin_isomer1	cis-Cypermethrin_isomer2	trans-Cypermethrin_isomer2	cis-Cyfluthrin_isomer1	trans-Cyfluthrin_isomer1	cis-Cyfluthrin_isomer2	trans-Cyfluthrin_Isomer2	1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin	1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin	Octachlorodibenzo-p-dioxin	Octachlorodibenzofuran	1,2,3,7,8-Pentachlorodibenzofuran	1,2,3,4,7,8-Hexachlorodibenzofuran	1,2,3,4,6,7,8-Heptachlorodibenzofuran	2,3,7,8-Tetrachlorodibenzofuran	2,3,7,8-Tetrachlorodibenzo-p-dioxin	1,2,3,7,8-Pentachlorodibenzo-p-dioxin	2,3,4,5-Tetrabromo-6-chlorotoluene	2,3,4,5,6-Pentabromotoluene	2,3,4,5,6-Pentabromoethylbenzene	2,3,5,6-Tetrabromo-p-xylene	Allyl 2,4,6-tribromophenyl ether	2-Bromoallyl(2,4,6-tribromophenyl) ether	Pentabromobenzene	Hexabromobenzene	2,3,4,5,6-Pentabromobenzyl alcohol	2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	syn-Dechlorane plus	anti-Dechlorane plus	alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	beta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	1,2,5,6-Tetrabromocyclooctane	1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	alpha-Amylcinnamaldehyde	trans-Cinnamaldehyde	Citral (Geranial)	1-Fluronaphthalene	alpha-Hexylcinnamaldehyde	Lilial	alpha-Amylcinnamyl alcohol	Eugenol	Isoeugenol	4-Methoxybenzyl alcohol	Methyleugenol	Cinnamyl alcohol	Benzyl alcohol	Estragole	Benzyl benzoate	Benzyl cinnamate	Benzyl salicylate	Camphor	Eucalyptol	Coumarin	Limonene	Isomethyl-alpha-ionone	delta-Iraldeine	Safrole	Cashmeran	Celestolide	Phantolide	Tonalide	Traseolide	Galaxolide	Aldrin	Endosulfan	Heptachlor	cis-Heptachlor epoxide	Endosulfan sulphate	Endrin ketone	trans-Chlordane	cis-Chlordane	Endrin aldehyde	Endrin	4,4'-Dichlorodiphenyldichloroethylene	Methoxychlor	4,4'-Dichlorodiphenyldichloroethane	4,4'-Dichlorodiphenyltrichloroethane	Tris(4-tert-butylphenyl) phosphate	Tri-n-butyl-phosphate	Tris(1,3-dichloro-2-propyl)phosphate	Tri-o-cresyl phosphate	Tri-m-cresyl phosphate	Tri-p-cresyl-phosphate	Isodecyl diphenyl phosphate	Tris(isopropylphenyl)phosphate	Tris(3,5-xylenyl)phosphate	Tris(2-butoxyethyl) phosphate	Tris(2-chloroethyl) phosphate	Tris(1-chloro-2-propyl) phosphate	Tris(2-ethylhexyl) phosphate	Triphenyl phosphate	1,2-Benzanthraquinone	1,4-Chrysenequinone	Hydroxychrysene	1-Nitronaphthalene	Hydroxyfluoren-9-one	1,4-Naphthoquinone	2-Methylnaphthalene	1-Methylnaphthalene	2,6-Dimethylnaphthalene	1,3-Dimethylnaphthalene	1,4-Dimethylnaphthalene	1,5-Dimethylnaphthalene	1,2-Dimethylnaphthalene	1,8-Dimethylnaphthalene	7,12-Dimethylbenz[a]anthracene	2,4-D butyl ester	Chlorferone	Carbofuran phenol	Diazinone	Dimethachlor	Alachlor	Chlorpyrifos	Fenoxaprop-ethyl	Atrazine	Malathion	Metazachlor	Metolachlor	Methyl parathion	Pendimethalin	Phosmet	Terbufos	Terbutylazine	Trifluralin	2,2',3,4,4',5',6-Heptabromodiphenyl ether	2-Chlorobiphenyl	2,3-Dichlorobiphenyl	2,2',5-Trichlorobiphenyl	2,4',5-Trichlorobiphenyl	2,2',3,5'-Tetrachlorobiphenyl	2,3',4,4'-Tetrachlorobiphenyl	2,2',3,4',5,5',6-Heptachlorobiphenyl	2,2',3,4,4',5',6-Heptachlorobiphenyl	2,2',3,3',4,4',5-Heptachlorobiphenyl	2,2',3,4,5'-Pentachlorobiphenyl	2,3,3',4',6-Pentachlorobiphenyl	2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	2,2',3,5,5',6-Hexachlorobiphenyl	2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	2,2',3,4,5,5'-Hexachlorobiphenyl	Praziquantel	Mexacarbate	Aminocarb	Isocarbophos	Acephate	Carbaryl	Mevinphos	Dicrotophos	Monocrotophos	Dimethoate	Dimethomorph _isomer1	Dimethomorph_isomer2	Vamidothion	Temephos	Methomyl	Ethiofencarb	Furathiocarb	Methabenzthiazuron	Methiocarb	Tebuthiuron	Iprovalicarb isomer 2	Propham	Propoxur	Pyraclostrobin	Thiobencarb	Isoprocarb	Linuron	Metobromuron	Monolinuron	Pirimicarb	Siduron	Bendiocarb	Bifenazate	Carbofuran	Cycluron	Diethofencarb	Diflubenzuron	Fenobucarb	Dioxacarb	Promecarb	Fenoxycarb	Indoxacarb	Iprovalicarb isomer 1	Ametryn	Azoxystrobin	Benalaxyl	Benzoximate	Boscalid	Butafenacil	Carbetamide	Carfentrazone-ethyl	Fenhexamid	Flutolanil	Furalaxyl	Kresoxim-methyl	Mepanipyrim	Mepronil	Metalaxyl	Myclobutanil	Oxadixyl	Picoxystrobin	Piperonyl butoxide	Prometon	Pyracarbolid	Pyrimethanil	Pyriproxyfen	Quinoxyfen	Triadimefon	Trifloxystrobin	Zoxamide	Secbumeton	Fenazaquin	Spiroxamine_isomer1	Spiroxamine_isomer2	Amitraz	Tebufenpyrad	Fludioxonil	Terbumeton	Rotenone	Enilconazole	Acibenzolar-S-methyl	Bupirimate	Buprofezin	Carboxin	Ethofumesate	Fenamidone	Fipronil	Flufenacet	Mefenacet	Methoprotryne	Metribuzin	Prometryn	Propargite_isomer1	Propargite_isomer2	Thiofanox	Cyazofamid	Ethiprole	Pyridaben	Thiabendazole	Tricyclazole	Simetryn	Sulfentrazone	Terbutryn	Bitertanol_isomer1	Bitertanol_isomer2	Bromuconazole_isomer1	Bromuconazole_isomer2	Cyproconazole_isomer1	Cyproconazole_isomer2	Diclobutrazol	Difenoconazole_isomer1	Difenoconazole_isomer2	Diniconazole	Epoxiconazole	Etoxazole	Fenarimol	Fluquinconazole	Flusilazole	Flutriafol	Hexaconazole	Nuarimol	Paclobutrazol	Penconazole	Propiconazole_isomer1	Propiconazole_isomer2	Tebuconazole	Tetraconazole	Triadimenol_isomer1	Triadimenol_isomer2	Metconazole	Triflumizole	Triticonazole	Ipconazole	Fuberidazole	Fenpropimorph_isomer1	Fenpropimorph_isomer2	Spirodiclofen	Spiromesifen	Spirotetramat	17-alpha-Ethynylestradiol	Bisphenol A	4-tert-Octylphenol	Estrone	17-beta-Estradiol	Progesterone	Testosterone
+Perylene_2H12	33	10	9	8	8	5	7	8	8	11	7	8	9	8	9	11	9	10	12	13	10	10	18	9	9	8	7	8	7	13	4	9	5	11	10	8	15	11	2	6	7	6	6	0	4	5	5	5	5	8	7	4	3	4	8	4	5	5	6	9	7	7	6	7	6	4	5	5	5	5	4	4	5	8	8	3	5	0	0	9	5	5	4	4	6	6	7	9	11	5	3	1	5	3	3	6	3	6	6	10	12	3	7	12	9	7	9	9	10	6	7	8	6	6	6	10	8	9	7	17	6	7	9	6	2	4	1	2	1	3	6	10	4	8	4	5	7	7	6	9	7	8	10	5	8	2	6	2	3	5	3	6	2	4	6	11	6	5	6	5	7	12	3	6	6	6	7	5	6	8	8	7	6	0	4	4	2	2	7	9	9	3	11	7	3	8	7	0	6	8	14	10	8	3	14	7	7	13	13	11	12	12	11	16	9	8	9	10	4	10	13	7	13	8	6	8	6	9	1	2	11	10	8	4	5	8	5	8	6	6	7	7	6	4	6	7	9	10	9	7	9	5	3	5	11	1	2	2	7	1	8	8	1	4	21	5	4	6	3	3	2	5	1	2	7	0	10	4	5	2	1	1	10	3	4	5	2	0	1	1	6	14	2	13	6	7	1	5	0	2	5	5	5	9	7	9	5	10	8	5	8	2	6	2	6	6	7	5	7	4	5	4	0	0	8	11	4	5	4	6	6	7	8	6	6	9	3	1	3	10	4	10	5	5	0	4	14	6	6	8	10	7	8	0	1	1	0	5	4	2	3	2	7	7	17	9	1	6	1	5	14	5	3	5	2	6	1	3	10	8	11	10	11	6	2	2	14	10	17	13	3	0	11	11	18	14
+Perylene	10	19	8	9	10	6	7	10	8	11	6	6	9	13	12	16	13	16	19	19	11	14	13	15	7	5	6	5	2	6	4	4	11	10	7	5	9	4	5	3	6	7	6	0	4	2	3	3	3	5	4	10	4	4	5	6	4	4	5	6	8	7	6	5	6	3	4	5	6	5	5	7	2	4	3	2	1	1	0	5	3	2	4	2	2	1	6	6	5	9	0	1	6	0	0	3	2	2	1	5	5	3	3	4	4	6	8	7	7	5	5	6	5	8	6	8	6	6	7	8	3	6	8	6	2	3	3	0	0	0	6	1	5	3	7	2	2	3	5	4	7	5	7	6	5	1	1	2	2	5	3	3	3	4	6	7	5	5	4	3	6	11	2	7	6	3	8	4	7	7	7	10	2	3	5	4	3	3	4	6	5	5	4	7	6	8	4	2	8	6	9	8	8	4	11	8	9	10	12	9	10	9	10	16	11	6	6	12	1	8	10	8	7	8	1	5	12	4	1	1	4	6	6	7	9	8	6	7	7	9	8	8	4	3	11	7	6	4	5	7	8	5	2	5	7	2	4	5	9	4	5	5	3	8	10	5	2	7	2	2	0	2	0	0	8	1	9	5	8	4	3	3	4	3	4	6	3	1	2	0	0	12	0	9	3	1	2	5	3	1	4	7	4	3	3	5	2	8	5	1	2	0	9	4	4	3	6	4	4	3	7	0	1	2	3	4	4	7	6	2	2	5	7	3	4	4	3	4	0	7	3	9	2	1	2	2	6	2	6	5	7	9	8	3	1	3	4	6	7	5	3	2	5	5	8	8	2	4	4	5	9	4	6	4	0	8	2	3	4	9	13	6	13	4	2	1	7	6	9	12	4	1	11	11	10	8
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+Acenaphthylene	5	6	6	12	12	19	14	10	8	8	6	5	7	8	9	7	5	6	6	6	5	5	12	6	8	7	9	11	11	12	8	10	10	9	15	9	15	7	3	10	9	15	5	0	9	10	9	8	10	4	5	10	12	9	10	15	11	10	9	10	8	13	13	13	11	11	10	9	8	9	7	7	10	10	9	10	5	3	5	12	7	8	12	11	7	6	9	12	14	9	9	4	11	5	7	8	5	12	12	11	17	11	10	9	9	10	11	10	9	11	9	8	10	9	10	7	10	13	13	13	5	8	7	7	6	5	6	1	5	1	15	7	10	6	12	11	7	9	11	13	10	10	15	7	10	4	8	4	6	8	6	6	8	7	11	10	7	6	7	6	10	15	9	6	12	10	14	9	11	11	14	12	5	11	10	6	3	5	8	7	7	4	8	8	5	7	8	1	6	15	17	6	15	8	16	11	9	12	13	11	13	12	12	7	14	6	10	13	5	6	10	7	8	11	4	8	12	8	3	3	7	7	8	17	17	15	14	13	13	8	7	7	11	10	6	10	12	12	11	9	6	9	6	7	7	1	2	2	12	7	6	5	5	3	14	7	10	8	6	4	6	7	1	3	6	5	14	9	12	3	4	3	13	6	5	10	3	7	10	9	3	12	6	10	4	6	6	5	1	6	9	8	3	8	6	7	5	14	10	5	6	5	9	3	7	4	5	4	6	3	7	1	2	3	5	8	13	6	11	6	8	7	9	7	10	6	6	7	6	8	6	9	7	6	5	8	13	4	8	7	11	14	8	4	4	3	4	7	7	6	6	5	11	10	9	11	1	7	4	8	14	11	8	8	5	7	6	6	12	13	13	12	13	8	4	3	16	7	11	9	6	2	9	9	13	12
+Acenaphthene	7	7	7	11	12	14	18	9	8	9	8	4	7	7	9	9	5	7	7	7	7	7	12	7	9	8	12	5	7	11	6	5	10	9	13	7	14	4	2	7	5	12	8	0	6	5	5	5	5	4	5	8	8	8	6	12	6	5	6	8	6	9	9	8	6	6	5	6	6	6	6	5	5	7	6	6	4	2	6	13	8	6	11	10	8	7	11	12	11	5	8	2	8	7	7	3	5	10	12	9	16	8	7	8	10	6	8	7	7	7	5	4	7	6	6	8	7	10	12	13	2	6	7	10	3	2	2	0	1	0	10	8	7	6	9	7	3	4	5	10	7	5	12	6	6	4	6	1	3	3	6	3	3	4	9	6	7	7	7	4	8	10	9	5	9	8	9	6	8	9	9	10	6	9	8	5	2	2	8	7	6	4	8	6	7	3	5	0	6	12	13	7	10	9	12	9	8	12	12	11	13	11	14	9	11	7	6	11	2	4	7	9	9	9	3	4	10	5	1	2	4	5	6	16	15	12	12	9	9	5	5	5	5	5	4	7	8	10	8	6	5	6	4	3	9	2	1	3	9	3	10	8	4	2	15	5	7	7	5	4	1	2	2	3	4	1	10	5	8	6	1	5	14	2	5	9	2	2	6	5	1	13	1	9	2	1	6	7	1	3	7	6	3	3	1	5	2	6	13	5	3	2	7	2	4	2	4	5	6	1	7	0	2	3	2	4	9	8	6	4	5	8	6	3	6	2	4	6	2	7	6	9	3	2	3	9	12	2	5	6	8	11	8	4	5	1	2	5	6	5	4	5	6	11	5	10	1	9	4	7	11	9	7	5	3	7	5	6	9	14	12	11	14	7	3	2	10	8	8	10	7	0	10	7	10	10
+Fluoranthene	8	10	8	13	14	10	9	17	15	13	10	5	9	14	14	13	7	10	10	10	7	8	9	9	8	5	5	6	5	6	4	3	11	11	11	4	12	4	1	3	4	7	8	0	7	5	5	5	5	5	6	11	11	13	5	7	5	4	3	5	4	7	7	6	5	5	4	4	5	4	3	3	0	4	2	1	2	0	1	6	0	1	2	4	5	4	4	4	5	8	3	5	7	1	1	2	0	4	3	5	8	6	5	5	6	7	8	8	8	5	5	6	5	7	7	9	9	11	12	8	5	7	8	7	2	4	5	0	1	0	10	1	5	2	11	8	4	6	5	6	6	5	8	5	4	1	4	1	2	3	3	2	7	4	6	11	10	9	11	5	11	10	4	7	8	7	11	8	9	11	11	13	4	11	12	4	3	3	6	6	6	1	5	4	6	2	6	1	5	17	17	7	10	5	11	7	8	10	9	10	10	9	10	10	12	6	5	8	4	5	7	9	10	11	2	5	6	8	0	3	6	11	6	10	7	7	7	7	7	5	4	4	4	4	5	5	6	6	5	5	7	8	5	5	11	1	1	3	11	6	9	9	2	8	11	4	3	6	3	5	3	3	0	1	7	1	12	9	10	6	2	2	11	5	6	7	3	1	3	1	3	11	3	8	8	4	6	6	0	2	6	6	3	3	1	5	2	6	7	3	4	2	9	2	3	2	6	5	3	3	8	0	2	3	2	6	7	4	4	7	3	5	8	7	5	5	3	2	1	10	6	10	6	5	3	6	11	2	6	6	8	11	7	2	0	4	4	2	3	7	6	5	5	4	12	11	1	8	4	8	12	6	8	6	5	4	5	7	8	7	14	9	8	5	1	1	6	6	11	12	3	2	12	13	14	14
+Pyrene	8	8	7	12	13	8	8	15	16	12	10	5	8	13	13	12	6	8	8	8	7	8	8	8	8	3	4	6	5	6	4	3	9	10	10	4	11	4	1	3	3	6	7	0	6	4	4	4	4	5	5	9	9	11	5	6	4	4	3	5	4	6	6	5	4	4	4	4	4	4	3	3	0	4	2	1	2	0	0	5	0	1	2	3	5	3	3	4	4	6	2	4	6	1	1	2	0	3	2	4	7	5	4	5	6	7	8	8	8	5	6	7	5	7	7	10	9	10	11	8	5	7	8	7	2	4	5	0	1	0	9	1	4	2	9	7	4	5	4	5	6	4	7	5	3	1	3	1	2	3	3	2	6	3	4	9	9	8	10	5	10	9	3	7	7	7	9	7	8	10	10	11	4	9	10	3	3	2	5	6	6	1	4	4	6	2	6	1	5	16	16	7	9	5	9	6	7	9	9	9	10	8	9	10	11	6	5	7	4	3	6	8	10	9	2	5	5	7	0	3	5	9	6	9	6	6	6	6	6	5	4	4	4	4	4	5	7	6	6	5	6	7	5	5	11	1	1	2	10	6	7	7	2	7	10	4	3	5	3	5	3	3	0	0	6	0	11	8	9	6	2	2	10	4	6	7	3	1	3	1	3	9	3	8	6	3	5	6	0	2	5	5	3	3	1	5	2	6	5	3	3	1	8	2	3	2	5	4	3	3	7	0	2	3	2	6	6	3	2	5	3	5	6	7	5	5	3	1	1	10	6	10	6	5	2	5	9	2	5	5	8	10	7	1	0	3	3	1	2	7	5	4	5	3	10	9	1	8	3	6	10	6	7	5	4	3	5	6	7	5	12	7	6	4	1	1	6	6	11	10	3	1	11	12	12	12
+para-Terphenyl	11	11	10	13	14	8	9	13	12	25	14	12	10	11	15	15	11	11	13	13	7	10	16	10	12	4	10	8	12	6	10	5	12	15	10	8	16	8	2	6	7	10	12	0	6	3	3	3	3	6	5	6	12	12	5	6	6	4	5	6	7	10	8	7	6	4	4	4	5	4	3	5	5	9	6	6	5	0	4	9	5	5	6	6	10	9	9	11	12	7	4	3	9	4	4	3	3	7	7	9	16	10	12	8	14	6	8	7	9	5	5	7	5	7	7	8	7	10	8	11	6	6	8	10	2	6	4	1	3	0	13	8	9	10	4	8	5	5	11	11	10	11	13	9	11	4	5	1	3	8	5	9	5	6	8	13	12	9	16	6	16	12	4	7	7	4	11	6	7	13	11	9	10	7	11	7	2	5	11	8	6	4	15	8	7	7	7	1	12	14	19	13	15	7	18	7	8	18	18	17	19	17	18	20	12	11	12	15	5	12	12	13	14	14	6	8	14	12	0	4	7	13	6	9	12	8	7	10	8	7	7	7	6	4	7	7	8	10	10	7	10	7	6	7	15	3	4	3	16	2	12	12	1	11	17	6	3	9	4	5	2	4	2	0	7	2	11	7	9	6	2	4	14	4	7	9	5	4	3	3	3	15	2	15	9	4	7	11	1	4	6	6	3	8	3	7	4	12	10	5	3	2	12	2	6	6	3	4	4	4	10	2	1	3	4	10	7	9	6	10	5	12	8	6	7	6	3	6	1	15	9	15	8	8	6	8	12	5	8	6	15	14	15	5	4	5	4	7	6	7	6	4	6	9	17	13	0	11	3	13	15	8	10	4	3	7	5	6	9	13	12	17	15	8	2	3	9	11	20	15	9	2	16	16	23	24
+Retene	7	6	7	9	11	6	8	10	10	14	43	15	15	4	9	9	5	4	7	7	3	4	11	6	14	7	9	22	11	17	12	4	19	17	14	15	32	12	5	4	8	15	21	0	8	9	8	8	9	9	8	11	15	13	6	10	9	6	9	5	10	11	11	8	9	5	5	9	10	9	5	9	8	10	7	7	6	4	7	14	7	5	10	6	12	5	9	9	16	12	6	8	10	7	6	6	5	11	11	13	21	14	14	16	20	7	5	4	5	4	5	10	4	6	5	5	3	12	7	14	6	4	2	17	5	7	6	4	4	4	16	24	9	26	6	6	16	12	24	19	16	25	18	10	24	12	19	4	15	20	5	19	11	17	18	23	14	13	15	9	17	18	7	6	9	8	15	9	9	23	16	8	4	15	12	14	1	8	17	11	10	3	28	10	6	18	11	0	8	20	30	21	27	10	19	8	7	19	20	15	19	16	19	22	11	8	26	19	4	15	13	17	27	17	8	6	20	26	2	7	21	18	8	13	12	13	12	12	8	10	10	10	9	6	11	9	15	13	16	9	12	10	7	12	22	6	5	9	23	8	16	15	5	11	29	7	10	11	8	9	4	5	6	3	9	7	16	10	11	7	2	6	16	6	11	14	6	6	8	5	8	25	4	23	16	8	5	13	1	4	7	9	3	9	2	10	6	22	20	12	13	10	18	2	8	7	5	6	8	9	15	3	1	1	12	12	5	18	12	11	7	14	16	9	10	7	5	6	5	19	19	22	9	6	4	18	22	5	8	11	18	20	24	2	1	12	11	2	6	10	4	3	20	19	26	26	2	17	12	13	24	15	16	9	9	12	13	5	14	24	28	30	28	7	2	3	16	16	26	24	16	4	21	17	35	36
+Benzo[b]naphtho[2,1-d]thiophene	8	6	5	5	6	5	4	5	5	12	15	23	12	6	9	9	5	6	6	6	5	6	7	7	9	5	4	12	7	8	8	6	8	13	12	9	17	8	5	7	8	13	11	0	3	2	1	1	2	10	7	8	9	11	6	11	10	8	10	8	9	10	11	10	10	6	6	9	10	9	6	8	2	5	3	5	5	2	2	6	7	3	4	3	10	4	6	6	8	9	2	2	7	2	3	6	1	6	6	6	12	6	7	8	8	11	10	10	9	9	10	10	9	9	9	8	7	6	7	11	9	6	5	7	1	10	8	3	4	3	15	12	5	13	8	8	11	8	13	11	10	16	13	6	13	7	9	2	9	11	4	6	6	7	10	15	9	10	12	8	12	12	2	11	12	7	13	11	12	11	14	9	4	9	10	8	2	1	10	5	5	2	14	6	2	10	9	0	7	12	16	15	16	2	12	6	5	7	12	7	8	5	7	14	9	6	14	10	1	13	10	14	16	10	5	8	12	13	1	4	8	13	7	7	11	14	12	11	10	10	10	9	9	7	9	9	11	12	10	9	11	8	6	8	15	2	3	5	14	6	8	8	4	10	15	5	8	6	5	2	5	3	0	2	7	3	12	9	6	5	1	4	7	7	4	6	5	1	3	6	7	14	5	15	8	7	3	10	1	5	9	6	2	6	6	5	3	14	5	9	10	5	9	2	5	5	8	1	8	5	7	4	0	0	10	10	4	7	5	6	1	5	7	5	12	6	3	2	3	14	5	14	5	5	3	6	11	6	10	6	11	15	11	1	1	3	7	1	1	6	3	5	11	6	17	14	2	7	5	11	15	7	11	4	5	7	3	4	7	11	13	14	11	5	2	4	5	10	15	15	8	4	13	15	19	18
+2,3-Benzofluorene	9	9	9	10	11	7	7	9	8	10	15	12	21	9	11	12	9	10	11	11	8	8	10	9	11	4	8	5	5	7	5	7	11	19	6	6	12	3	1	3	6	10	13	1	3	3	3	3	3	9	8	8	4	6	3	6	5	4	5	5	9	6	5	4	5	4	4	5	5	5	4	6	4	6	3	2	4	3	0	4	2	2	4	3	7	4	3	3	5	7	1	2	6	2	2	4	3	4	3	4	7	6	7	4	10	7	9	8	7	5	5	5	5	6	6	9	7	7	7	8	6	9	7	11	2	2	2	6	6	5	10	8	8	7	6	2	4	2	8	8	11	10	9	8	7	3	3	1	5	7	4	5	5	5	8	8	4	5	5	3	7	9	4	7	9	5	10	5	6	10	8	10	4	5	5	6	1	0	9	6	6	2	9	7	3	5	4	0	7	12	11	21	6	7	12	9	10	11	10	10	10	9	10	15	9	7	8	10	5	9	9	7	11	7	5	8	8	11	0	1	9	9	10	5	8	8	8	7	5	9	9	10	5	4	11	7	6	5	6	7	6	5	3	6	9	0	1	2	10	2	6	6	0	8	13	7	5	10	1	2	1	2	1	0	3	2	10	5	7	2	1	2	8	3	5	5	2	2	4	2	2	8	1	10	3	2	1	4	0	1	6	5	3	5	4	5	3	7	6	3	2	2	5	2	5	4	5	3	5	3	5	0	0	0	5	5	4	2	5	8	6	6	7	4	6	5	4	4	1	6	2	6	6	4	2	9	12	5	8	9	7	10	4	0	2	5	5	3	0	1	2	3	3	10	9	15	2	7	3	10	10	1	8	1	1	1	5	2	3	7	10	10	7	7	1	1	3	7	10	12	8	3	12	12	16	16
+Benzo[ghi]fluoranthene	8	13	7	9	9	8	7	14	13	11	4	6	9	18	14	16	12	13	14	14	7	8	10	11	6	4	6	4	4	5	4	5	9	9	8	5	12	4	3	5	5	9	8	3	5	5	5	5	5	6	5	5	5	4	6	7	7	5	6	7	5	10	8	9	8	4	6	7	6	7	5	4	0	3	4	0	3	1	0	4	1	3	3	3	4	4	5	6	7	7	2	1	8	1	0	3	2	5	2	9	6	8	9	7	5	9	10	9	7	6	6	6	5	8	7	8	7	8	9	10	4	7	8	5	4	3	4	0	1	0	8	2	4	3	8	1	5	6	4	4	6	5	6	6	4	2	2	1	2	5	3	3	5	3	5	9	6	6	9	3	10	10	3	9	10	6	7	7	8	9	9	8	8	2	5	4	3	3	8	10	9	2	5	8	8	4	3	3	5	9	11	8	7	5	9	7	8	9	9	7	9	9	8	15	12	6	4	8	2	8	10	8	11	8	1	6	8	4	0	2	3	2	6	8	7	10	7	10	9	8	5	5	7	5	6	8	5	7	7	8	7	6	2	6	11	1	3	5	10	3	8	8	2	7	9	4	2	6	1	2	2	3	1	1	7	1	10	8	9	5	3	3	6	4	6	7	3	1	3	0	4	10	2	10	3	2	3	6	0	3	7	6	2	7	2	6	4	8	4	6	0	1	8	2	4	2	7	4	4	4	7	0	1	1	3	4	6	5	7	3	2	6	7	3	4	5	2	3	1	10	5	12	2	1	3	7	13	3	8	7	9	8	10	4	2	3	4	8	9	4	2	2	4	5	10	10	1	4	4	6	11	3	1	4	4	3	1	6	7	6	10	6	8	5	1	1	5	9	13	15	5	2	12	12	13	10
+Triphenylene	9	12	8	12	13	9	9	14	13	15	9	9	11	14	21	17	12	13	14	14	8	10	12	13	8	7	5	4	6	8	4	5	12	14	11	6	12	5	2	4	6	9	10	1	6	6	6	6	6	6	6	8	10	11	7	7	6	4	5	6	6	11	8	8	6	4	4	5	5	5	3	4	1	5	2	0	5	0	0	5	2	2	2	3	7	6	5	8	5	9	2	2	7	1	0	2	1	4	2	4	11	8	10	6	8	8	9	8	7	5	5	5	5	7	9	9	9	9	10	10	6	8	8	9	4	4	5	1	3	1	11	3	7	3	8	6	2	4	8	7	7	6	10	7	7	1	2	1	2	5	4	4	5	4	7	9	9	9	13	4	12	11	4	6	8	5	10	7	8	10	8	10	6	8	11	2	3	3	5	6	5	0	8	8	8	5	7	3	7	14	17	12	11	8	13	9	10	13	12	12	14	12	13	16	13	8	7	11	4	8	8	8	12	11	5	6	10	7	0	2	5	8	6	8	12	11	8	11	9	9	6	6	5	4	7	7	5	7	6	7	11	7	5	7	14	2	4	5	10	2	9	9	3	9	13	5	3	8	2	4	2	3	1	0	8	2	13	6	9	6	4	2	11	3	8	9	4	2	3	2	5	11	2	10	6	2	5	9	2	3	5	7	3	6	2	5	4	6	5	3	0	1	9	3	4	3	5	4	2	5	8	0	1	1	2	5	5	6	5	4	1	6	8	5	5	7	2	3	1	10	4	12	4	3	3	5	13	2	7	7	11	9	10	3	1	3	4	6	8	5	4	4	6	6	12	11	1	6	2	7	13	5	4	5	2	6	3	7	10	7	12	8	8	6	1	1	6	9	14	11	2	2	14	13	18	17
+Benzanthracene/Benzophenanthrene	11	16	9	12	12	7	9	13	12	15	9	9	12	16	17	25	14	16	19	19	8	12	15	14	7	6	6	4	4	8	4	5	11	13	11	5	14	4	2	4	6	9	11	2	6	4	4	4	4	6	6	5	9	9	5	7	6	4	6	7	7	11	8	8	7	3	4	4	6	4	4	5	1	4	1	0	5	0	0	7	1	3	4	6	8	6	8	10	10	11	3	3	8	1	0	2	1	4	3	8	9	9	9	7	9	7	9	8	8	5	5	7	5	7	9	10	9	10	10	10	5	8	9	7	3	5	4	1	1	1	14	4	7	4	7	4	2	3	7	7	7	6	10	7	7	1	1	1	2	4	4	4	5	4	7	9	10	9	14	3	13	12	3	9	8	5	10	7	9	11	10	8	8	5	9	3	2	2	7	8	6	1	8	8	8	6	5	2	7	12	17	12	12	8	17	9	10	13	12	13	14	13	14	21	15	7	6	11	2	10	11	9	11	10	5	4	11	5	0	1	5	7	7	7	10	12	9	11	9	9	7	7	5	3	8	8	6	5	5	8	12	6	3	7	14	3	3	5	10	3	10	10	4	10	14	5	2	8	2	4	2	3	0	0	8	2	14	8	9	5	3	2	10	4	8	9	5	2	3	1	4	13	2	11	8	2	5	9	2	3	7	7	3	7	3	5	4	7	5	4	1	0	10	3	4	4	6	4	6	5	8	0	2	2	2	5	5	7	6	4	4	5	9	5	4	7	2	2	0	10	4	12	3	2	3	5	14	2	7	7	12	9	10	3	1	2	3	6	10	4	2	4	4	6	13	13	1	5	4	6	14	6	4	7	2	5	2	7	8	8	14	9	10	5	1	1	6	9	16	14	3	2	15	14	17	16
+Benzofluoranthene	9	13	8	8	10	5	5	7	6	11	5	5	9	12	12	14	16	15	16	16	9	10	12	12	6	6	6	5	2	6	4	5	11	10	6	5	10	4	4	4	7	8	9	0	4	2	3	3	3	5	5	6	2	2	6	6	5	4	7	5	9	9	7	7	7	3	4	6	7	6	5	7	1	2	3	2	3	1	0	5	3	3	4	3	4	3	8	7	6	8	1	0	4	1	0	3	1	3	0	6	7	3	3	5	4	5	6	5	5	4	4	5	4	6	6	6	5	5	5	7	3	5	5	6	2	2	3	0	0	0	7	2	6	4	5	2	2	2	6	4	7	6	8	7	6	1	1	2	2	5	4	4	2	5	7	7	4	4	3	2	5	10	1	6	5	2	6	5	7	8	4	6	3	1	3	3	1	2	3	5	4	4	3	8	5	8	3	2	6	7	9	9	9	6	11	8	9	9	10	8	9	9	9	14	9	6	6	11	2	9	7	6	6	7	1	5	10	4	0	0	4	5	5	5	9	9	6	9	8	10	9	9	5	3	10	9	5	4	6	9	7	4	2	5	6	2	3	4	10	3	5	5	2	6	12	3	1	8	1	2	0	2	1	0	8	1	9	5	7	3	3	2	4	2	5	7	2	1	2	0	0	12	0	8	3	1	2	5	3	1	4	5	3	5	2	5	2	7	3	1	1	0	7	3	3	3	6	3	3	2	6	0	1	2	2	3	3	5	6	2	1	4	4	3	4	6	1	3	0	7	4	7	2	1	1	3	9	2	6	7	7	7	7	2	1	2	3	7	8	5	3	1	4	6	7	9	2	2	3	4	8	3	4	2	0	6	1	3	4	6	11	4	10	5	2	1	6	7	10	12	4	0	10	11	12	9
+Benzo(k)fluoranthene	10	16	9	10	11	6	7	10	8	11	4	6	10	13	13	16	15	18	18	18	12	13	13	15	6	6	6	6	2	6	4	6	11	11	7	5	11	4	5	4	6	8	9	0	4	2	3	3	3	5	4	9	4	3	6	6	4	4	6	6	8	8	6	6	6	3	4	5	6	5	5	6	2	4	3	2	3	1	0	6	3	3	4	2	4	3	8	8	5	9	1	1	6	1	0	3	2	3	1	5	7	3	4	4	4	6	8	7	7	5	5	6	5	8	7	8	6	6	7	9	3	6	7	7	2	2	3	0	0	0	7	2	6	3	7	2	2	3	6	6	7	6	8	7	6	1	1	2	2	5	4	3	3	4	7	7	5	5	4	3	7	11	2	7	6	3	7	4	7	8	6	9	3	2	4	4	3	3	4	6	5	5	4	8	7	8	4	2	7	7	11	9	10	5	11	9	10	10	12	9	10	10	10	16	11	6	6	13	2	9	9	7	8	8	1	6	12	4	1	1	4	6	6	7	10	9	6	8	7	9	8	8	4	3	10	8	5	4	5	8	8	5	2	5	7	2	4	5	10	4	5	5	3	8	12	5	2	8	2	2	0	2	0	0	9	1	10	5	8	4	3	3	4	3	4	7	3	1	2	0	0	13	0	9	3	1	2	5	3	1	4	6	4	4	3	5	2	8	4	1	2	0	8	4	4	3	6	4	4	3	7	0	1	2	3	4	4	6	7	3	1	5	7	3	4	5	2	4	0	8	3	9	2	1	2	2	8	2	7	7	8	8	7	3	1	3	4	7	8	6	3	2	5	6	8	9	2	3	4	5	9	4	6	3	0	8	2	3	5	9	13	6	12	5	2	1	7	7	10	13	4	1	11	12	13	9
+Benzo[e]pyrene	12	19	9	10	12	6	7	10	8	13	7	6	11	14	14	19	16	18	23	23	13	15	16	16	8	7	7	6	2	7	5	6	12	12	7	6	12	4	5	4	8	9	10	1	4	2	3	3	3	6	5	10	5	4	6	7	5	4	7	7	10	9	7	7	7	3	4	6	7	6	5	8	2	4	4	2	3	1	0	6	3	3	4	3	4	3	9	9	6	10	1	1	6	1	0	4	2	4	1	6	7	4	4	5	5	6	8	7	7	5	5	6	5	8	7	8	6	6	7	9	3	6	8	7	2	3	3	0	0	0	8	2	7	4	7	2	2	3	7	6	8	7	9	8	7	1	1	2	2	5	4	4	3	5	8	8	5	5	4	3	7	13	2	8	7	3	8	5	8	9	7	10	5	3	5	4	3	3	4	6	5	5	4	9	7	9	4	2	8	8	12	11	11	6	13	9	10	12	14	11	12	12	12	19	11	7	7	13	2	10	10	8	8	8	1	6	14	4	1	1	4	7	6	7	10	10	7	9	8	11	10	10	5	3	13	9	6	4	6	9	8	5	2	5	7	2	4	5	11	4	6	6	3	8	13	5	2	9	2	2	0	2	1	0	9	1	11	5	8	4	3	3	4	3	5	8	3	1	2	0	0	14	0	9	3	1	2	5	3	1	5	7	4	5	3	5	2	8	5	1	2	0	9	4	4	3	6	4	5	3	8	0	1	2	3	4	4	7	7	3	2	5	7	3	4	6	3	4	0	9	4	9	2	1	2	3	9	2	7	7	8	9	7	3	1	3	4	8	9	6	3	2	5	7	10	10	2	4	4	5	10	4	6	4	0	8	2	3	5	9	15	6	14	6	2	1	8	7	11	14	4	1	12	12	14	10
+Benzo(a)pyrene	13	19	9	11	13	6	7	10	8	13	7	6	11	14	14	19	16	18	23	24	14	15	17	16	8	7	8	6	2	7	5	7	12	12	7	6	13	4	5	4	9	9	9	1	4	2	3	3	3	6	5	10	6	4	6	7	5	4	7	7	10	9	7	7	7	3	4	6	7	6	5	8	2	5	4	2	4	1	0	7	3	4	4	3	4	4	9	10	6	10	1	1	6	1	0	4	3	4	2	6	7	5	5	6	5	6	8	7	7	5	5	6	5	8	7	8	6	6	7	10	3	6	8	7	2	3	3	0	0	0	8	2	7	4	7	2	2	3	7	6	8	7	9	9	7	1	1	2	2	5	4	5	3	5	8	8	5	5	4	3	7	13	2	8	7	3	8	5	8	11	7	10	6	3	5	4	3	3	4	6	5	5	4	9	8	11	4	2	9	8	12	11	11	6	14	9	10	12	14	11	12	13	12	19	11	7	7	14	3	10	10	8	8	9	1	7	14	4	1	1	4	7	6	7	10	10	7	9	8	11	10	10	5	3	14	9	6	4	6	9	8	5	2	5	8	2	4	5	12	4	7	7	3	8	14	5	2	9	2	2	0	2	1	0	9	2	11	5	8	4	3	3	4	3	5	8	3	2	2	0	0	14	0	9	3	1	2	5	3	1	5	7	4	5	3	5	3	8	5	1	2	0	9	4	4	3	6	4	5	3	8	0	1	2	3	4	4	7	7	3	2	5	7	3	4	6	3	4	0	10	4	10	2	1	2	4	9	2	8	8	8	9	8	3	1	3	4	8	9	6	3	2	5	6	10	10	2	4	4	6	10	4	6	4	0	8	2	3	6	9	15	7	14	6	2	1	8	7	12	14	4	1	13	12	13	9
+Indeno[1,2,3-cd]pyrene	10	11	6	8	8	5	7	7	7	7	3	5	8	7	8	8	9	12	13	14	22	15	16	13	8	6	6	10	3	10	4	5	7	8	9	5	12	3	1	4	3	7	4	0	5	3	4	3	4	4	3	6	9	8	5	5	3	2	4	6	3	5	4	4	4	2	2	2	3	2	2	2	4	7	4	3	6	3	0	11	3	4	2	2	3	5	5	7	4	7	2	2	6	1	1	6	6	4	4	3	6	3	4	7	6	5	7	8	8	6	6	5	5	7	6	7	5	6	6	12	3	6	6	9	2	4	4	3	3	3	12	2	5	7	5	2	2	3	7	9	8	5	7	7	3	2	2	3	4	8	3	3	3	4	6	5	5	3	2	3	3	10	4	10	7	8	7	7	8	9	8	10	8	6	8	2	3	1	5	4	4	1	6	7	4	6	5	0	7	5	14	9	6	5	6	5	6	9	10	7	8	8	8	11	5	5	7	10	0	8	8	6	5	7	3	4	10	7	1	1	6	4	8	5	5	7	6	5	4	2	3	3	2	2	4	3	6	9	8	3	7	4	3	7	8	0	2	4	9	4	10	10	2	5	13	6	5	7	2	2	0	4	1	0	6	2	10	4	6	6	4	2	2	3	2	7	2	0	3	1	1	11	0	9	5	3	0	7	2	2	2	8	4	4	4	5	4	6	5	1	4	1	7	4	4	4	10	5	3	3	4	0	1	1	2	8	3	5	8	5	6	10	7	2	8	4	4	6	4	6	1	8	5	3	3	3	11	1	4	8	7	10	6	0	0	3	3	5	6	10	5	5	6	6	11	6	4	6	3	8	10	5	6	6	2	6	5	4	7	9	10	5	10	4	1	1	6	9	10	11	5	2	10	9	11	10
+Benzo(g,h,i)perylene	10	14	8	8	8	5	7	8	8	10	4	6	8	8	10	12	10	13	15	15	15	20	18	16	10	4	6	9	4	11	4	4	9	9	7	4	10	3	1	5	5	5	5	0	4	4	4	4	4	5	4	8	7	8	4	5	5	3	5	6	5	6	4	3	7	3	3	4	5	4	4	4	3	5	3	1	1	3	0	8	2	1	2	1	1	1	3	3	2	8	0	2	5	0	0	6	5	2	2	3	4	2	2	4	2	5	7	7	8	7	6	7	6	7	5	8	6	6	7	8	3	6	8	5	2	3	2	1	0	1	11	1	5	6	5	2	1	1	7	5	7	6	7	6	4	1	1	3	3	6	3	3	3	5	7	6	5	3	3	3	5	9	4	10	6	7	7	7	9	8	9	11	5	5	9	3	3	2	5	5	6	0	7	7	2	5	6	0	6	5	12	9	6	5	9	5	6	10	11	9	10	8	11	12	7	6	7	10	1	8	11	8	6	6	1	5	11	7	1	1	6	3	10	5	5	6	6	6	5	4	5	5	5	3	6	6	4	8	6	6	7	4	4	7	8	0	1	5	10	4	9	9	1	7	12	6	5	9	3	2	1	4	1	0	6	2	9	6	8	6	5	2	2	3	2	6	2	1	1	2	1	10	1	9	4	2	0	7	3	2	4	7	3	3	4	5	3	6	6	2	4	2	7	4	4	5	11	5	2	4	4	0	1	1	3	8	3	6	6	4	6	11	6	3	8	3	3	6	5	5	2	8	5	3	3	2	8	2	5	7	8	11	5	0	0	1	1	3	6	10	4	4	8	7	12	6	6	7	2	6	8	5	7	6	2	6	4	3	5	8	11	5	11	4	1	1	8	6	6	10	6	2	10	9	10	9
+Anthanthrene	18	13	12	13	14	12	12	9	8	16	11	7	10	10	12	15	12	13	16	17	16	18	67	16	20	16	14	23	12	24	12	15	21	13	22	15	35	9	5	15	20	15	19	2	21	15	16	16	16	10	9	13	13	14	16	14	13	11	16	16	19	17	15	13	17	12	11	13	16	13	10	17	18	16	15	13	12	8	3	26	14	15	15	14	14	14	15	19	34	22	9	7	15	10	10	19	18	21	15	24	32	20	19	20	25	16	15	16	14	15	12	12	13	13	13	11	9	12	13	25	8	10	11	21	12	22	19	7	8	6	38	16	11	18	8	12	11	14	22	19	15	15	16	8	12	8	13	6	10	16	5	11	15	13	13	21	10	10	13	5	15	34	19	21	21	23	26	20	24	37	32	16	13	11	14	9	5	11	15	14	14	6	21	21	10	17	11	1	14	20	36	15	19	8	20	9	9	15	15	13	17	15	16	19	19	10	17	31	7	24	24	19	19	17	14	13	26	24	4	8	16	15	19	13	14	18	16	20	14	17	19	20	14	11	17	17	16	25	22	15	20	11	10	18	22	2	6	12	26	8	19	20	7	13	34	10	13	18	11	4	4	7	6	5	12	6	28	16	16	11	7	4	18	10	6	14	4	8	12	8	9	28	4	21	10	10	6	15	6	7	17	14	4	13	12	8	6	22	17	13	15	8	19	5	6	8	18	18	7	8	13	2	1	3	10	15	9	16	20	18	20	20	21	8	23	14	12	15	15	16	10	17	12	9	11	17	33	9	10	17	15	28	15	4	3	9	9	12	17	18	12	11	18	25	33	24	9	17	10	19	29	16	19	19	11	19	9	16	25	26	37	30	32	13	3	3	30	20	31	31	16	7	29	24	31	28
+Dibenzanthracene	9	15	8	9	10	6	7	9	8	10	6	7	9	11	13	14	12	15	16	16	13	16	16	22	9	4	6	8	3	11	4	5	13	11	6	4	10	5	3	3	6	5	6	0	5	7	7	7	7	5	4	8	7	7	5	5	5	3	6	5	6	6	4	3	6	3	3	4	6	4	4	5	3	7	6	4	0	1	1	7	3	4	6	4	3	3	7	6	6	6	2	2	7	1	1	4	5	2	3	6	7	2	3	7	4	6	8	7	7	7	6	6	5	9	6	8	6	7	7	10	4	6	7	7	1	3	4	0	1	0	11	2	5	6	7	2	1	2	7	6	7	5	7	6	6	1	1	2	4	7	3	3	1	4	6	4	4	3	5	4	7	10	3	8	5	6	10	5	8	11	10	11	5	4	7	2	4	2	5	4	4	2	7	6	6	6	8	2	5	6	15	9	9	7	12	8	9	10	12	10	11	10	11	14	10	6	7	14	1	10	11	8	7	9	3	5	12	9	1	1	7	6	7	7	7	6	5	6	5	7	6	6	4	3	8	6	5	8	7	6	11	2	2	8	6	2	3	7	11	5	11	11	3	8	11	6	4	9	3	2	0	4	1	1	6	3	12	7	10	7	5	3	5	1	4	6	3	2	0	0	2	13	0	11	2	1	3	8	4	3	4	9	4	2	6	5	3	8	8	2	4	0	9	4	4	5	8	8	3	4	7	0	1	2	2	9	4	8	8	3	4	12	7	3	9	4	3	8	2	5	2	8	4	1	3	3	9	2	6	7	10	12	7	3	2	3	3	7	8	11	7	6	5	9	11	11	4	8	3	7	11	9	10	7	3	13	4	9	9	13	16	7	14	4	2	1	14	3	9	12	4	0	12	12	14	12
+Coronene	9	7	8	13	14	8	9	8	8	12	14	9	11	6	8	7	6	6	8	8	8	10	20	9	47	11	9	15	14	22	9	7	15	12	18	7	25	10	3	11	8	11	9	1	11	12	12	11	11	8	7	10	10	13	11	10	7	7	8	12	7	10	9	9	8	7	8	9	7	10	7	8	10	16	9	8	7	3	2	16	8	8	13	9	12	10	11	16	27	15	11	6	11	7	6	7	8	21	15	20	25	14	14	21	20	10	11	14	7	8	4	5	10	11	11	8	6	12	10	23	11	8	9	16	6	13	11	4	5	4	24	9	3	11	5	8	10	11	17	12	8	15	9	5	9	6	8	5	6	7	4	5	15	9	7	20	15	11	10	5	15	21	13	13	13	15	18	9	10	28	26	11	11	8	14	10	2	8	12	9	8	4	15	14	4	7	8	0	8	10	19	12	8	4	11	7	7	14	15	11	15	11	15	16	20	7	14	22	10	13	23	14	15	12	10	13	15	23	2	5	9	13	12	11	13	10	10	9	10	8	7	7	8	7	6	7	9	15	12	7	8	15	11	14	14	2	3	4	16	7	15	14	3	9	24	6	12	6	5	6	3	3	1	3	5	2	19	13	12	5	4	2	14	11	5	13	4	4	13	6	5	20	4	14	11	10	6	12	1	4	13	10	4	9	8	6	9	20	16	15	10	9	8	3	5	5	11	14	6	4	8	1	1	1	11	9	7	8	10	10	8	15	10	10	13	11	12	10	7	10	10	14	10	8	3	11	26	5	5	8	9	20	11	2	3	6	5	9	3	12	10	11	14	19	24	15	3	14	3	11	15	12	10	12	8	15	5	11	15	20	21	20	20	3	1	2	22	10	23	23	13	5	24	15	24	22
+Dicofol	8	5	2	9	9	7	8	5	3	4	7	5	4	4	7	6	6	6	7	7	6	4	16	4	11	68	11	15	16	28	6	16	21	8	26	8	28	9	4	9	16	11	28	5	14	13	14	12	13	4	4	14	13	16	14	9	10	7	14	16	13	14	11	10	12	8	8	14	13	14	11	13	22	25	20	19	19	7	7	22	23	20	22	21	24	21	21	26	33	15	14	8	13	11	12	18	16	27	23	27	42	17	20	24	29	7	7	6	4	7	3	3	11	7	7	10	11	12	8	33	21	10	7	32	22	18	16	13	16	15	37	15	8	15	6	15	14	14	20	18	10	15	12	5	12	6	11	3	4	9	3	8	13	13	12	24	9	9	7	5	11	23	25	20	16	16	34	15	18	36	28	15	8	16	14	8	2	6	12	7	8	7	16	9	10	7	10	2	11	13	32	9	16	8	16	6	5	16	14	10	15	14	14	12	12	2	19	18	10	18	7	15	19	14	15	9	23	24	3	9	11	13	20	12	13	14	12	17	15	14	15	17	13	8	15	16	17	17	15	16	13	14	9	11	17	3	4	2	14	10	11	11	11	9	25	8	13	7	10	5	9	3	0	8	6	4	30	15	16	2	2	5	16	15	8	14	4	7	12	9	12	28	11	16	14	6	8	11	2	4	14	12	3	8	9	2	2	17	14	14	12	14	13	3	1	3	9	11	12	2	10	4	2	3	12	12	8	12	21	14	12	9	17	3	18	12	3	14	12	9	7	12	10	11	11	10	46	8	5	13	9	22	11	8	10	4	4	14	13	11	12	15	7	21	26	23	5	8	6	11	28	13	9	11	6	16	12	16	29	23	24	24	29	6	3	2	16	15	23	21	9	7	21	16	28	25
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+1,2,7,9-Tetrachlorodibenzofuran	6	3	5	7	7	10	7	3	3	6	4	7	3	5	4	4	4	4	4	4	4	5	15	3	11	9	6	15	7	14	5	21	17	4	25	6	19	5	1	51	22	29	24	7	14	11	11	11	10	21	14	20	11	10	26	25	24	20	26	23	28	29	25	22	27	19	19	27	24	28	20	24	17	11	14	13	10	7	1	11	12	10	11	10	13	10	11	16	20	27	6	0	8	5	5	18	12	18	14	20	19	13	19	12	14	30	28	28	28	31	32	31	39	17	24	21	18	24	11	21	10	15	18	25	12	20	22	7	5	5	43	5	2	15	7	11	6	3	15	17	14	15	6	5	7	2	4	3	8	11	3	5	8	7	8	15	4	6	5	2	7	27	32	30	38	38	38	29	31	41	39	20	8	10	10	5	1	11	11	7	11	4	7	6	6	4	4	0	11	10	25	9	14	9	12	6	3	10	14	6	7	7	8	7	19	3	16	21	3	18	27	19	18	7	9	8	24	11	0	5	10	10	21	18	24	30	27	30	25	29	29	30	26	22	28	28	35	42	38	28	8	12	9	12	13	0	8	7	15	8	8	8	6	12	20	7	8	9	8	5	7	7	3	1	8	5	31	16	17	5	5	4	7	6	4	12	3	6	6	6	3	17	8	19	7	4	6	13	0	4	20	15	4	8	4	2	3	14	7	5	7	3	10	2	2	6	21	11	7	4	8	0	2	5	3	10	5	11	14	15	10	10	13	4	11	3	11	12	7	12	10	14	10	7	2	8	26	2	10	11	13	25	12	5	7	5	7	4	8	16	8	9	18	18	15	14	10	12	3	14	21	11	10	15	10	4	9	12	18	15	18	10	17	2	3	3	21	4	14	15	9	4	15	13	21	18
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+2,4,6-Trichlorobiphenyl	6	7	6	11	11	15	12	7	6	10	15	13	10	9	9	9	8	8	9	9	7	5	15	5	11	11	11	21	5	17	10	24	23	12	36	12	22	7	2	29	29	54	27	6	26	24	26	24	26	25	21	34	15	16	22	40	40	36	33	29	30	47	47	39	40	34	36	35	37	36	26	29	18	18	14	16	7	8	2	15	16	16	14	14	11	9	12	15	19	19	9	3	15	6	9	18	13	18	14	16	24	16	17	15	18	29	27	25	24	26	26	24	19	21	25	24	15	25	18	30	19	15	15	21	12	16	13	10	11	9	39	5	6	20	9	15	6	6	17	21	15	14	13	8	11	6	13	2	8	12	5	11	11	8	10	16	9	6	10	4	9	42	17	31	40	27	39	30	34	38	40	32	15	20	18	4	3	8	13	10	11	4	12	7	6	12	7	1	12	17	28	15	20	11	17	5	4	12	17	10	14	11	13	10	32	6	18	24	7	18	22	22	25	15	13	14	26	13	3	9	12	15	18	22	33	45	42	48	44	30	29	30	37	37	29	38	40	35	40	36	12	12	10	15	21	0	8	14	24	15	12	11	13	17	26	5	14	9	11	5	9	5	4	3	9	6	38	17	19	11	6	7	13	10	6	14	5	7	10	4	6	33	9	24	8	6	11	17	1	6	24	19	4	10	2	3	3	22	19	9	10	4	14	4	5	6	23	9	9	16	9	3	1	3	6	11	10	12	15	17	9	17	17	9	18	9	17	19	8	17	15	21	7	6	9	16	32	3	12	13	20	39	18	3	7	10	12	9	9	19	9	9	16	23	17	31	4	14	11	24	35	13	20	21	16	6	15	11	16	23	32	19	25	4	3	2	31	13	23	16	7	1	18	13	28	26
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+Hexachlorobenzene	7	4	5	7	8	5	5	6	5	5	8	7	8	5	6	6	5	4	5	5	3	4	9	4	7	4	8	7	3	6	8	21	14	9	25	6	9	4	1	14	35	21	37	20	10	11	11	11	11	33	50	25	2	6	16	17	35	27	36	19	37	28	26	25	36	29	26	37	39	37	28	37	5	6	2	6	3	1	2	4	9	7	3	3	5	3	4	5	9	14	5	4	11	4	5	11	3	6	6	10	9	5	6	7	5	32	35	33	20	19	19	21	15	15	19	23	20	31	20	29	16	12	17	15	1	15	17	6	4	3	29	3	5	10	4	12	3	3	8	14	9	8	10	9	7	4	5	2	2	6	3	6	2	2	8	7	3	3	3	2	6	27	21	29	42	32	33	29	33	28	37	14	5	6	7	3	0	3	5	5	5	1	5	3	3	8	2	1	4	7	20	11	10	5	10	6	6	7	10	9	9	8	9	6	16	4	8	8	3	8	20	10	16	12	4	7	14	4	1	7	11	6	19	8	13	21	19	29	25	40	41	41	34	30	42	37	40	37	34	36	3	2	1	4	12	1	3	6	4	12	5	5	5	13	18	4	4	7	0	6	4	2	1	3	9	2	27	14	10	2	2	3	6	1	3	6	4	0	3	0	2	7	4	9	5	2	5	15	1	2	12	12	5	5	1	3	3	4	4	2	5	1	4	2	3	4	12	5	3	2	5	0	0	1	3	6	5	6	4	4	9	5	5	8	5	3	7	4	0	5	5	6	3	2	4	7	19	2	7	9	9	18	5	0	6	2	5	4	4	4	4	3	1	8	8	17	4	3	3	14	15	2	5	7	4	1	2	4	6	7	10	2	7	4	1	1	7	4	5	6	5	1	8	6	10	6
+2,4'-Dichlorodiphenyldichloroethylene	4	10	4	13	13	10	8	11	9	6	11	8	8	5	8	5	6	9	10	10	6	8	13	8	10	14	7	14	9	17	5	21	23	7	34	6	17	6	2	20	31	34	31	5	18	13	14	14	15	30	25	53	18	37	21	32	39	34	36	16	31	39	39	37	40	36	34	34	38	37	27	31	17	19	8	9	9	4	3	13	16	15	10	8	10	9	11	13	16	23	5	8	15	9	9	16	13	19	13	21	25	15	17	16	19	24	20	20	16	18	17	16	18	16	20	20	13	16	14	33	18	11	10	20	15	12	11	7	3	2	24	3	5	10	9	12	6	5	16	18	10	9	9	6	8	4	7	2	5	9	4	5	8	9	11	12	5	6	6	3	7	26	17	33	41	30	47	30	34	42	45	50	7	29	38	4	5	15	8	5	6	4	10	8	7	10	12	1	8	20	29	11	17	12	14	7	6	10	11	8	9	9	9	9	23	4	15	21	8	12	22	13	18	10	13	14	22	12	4	2	14	15	16	17	25	35	32	42	38	34	33	33	42	37	29	38	32	30	33	35	7	10	6	12	19	1	3	9	17	11	12	12	13	16	26	3	10	9	7	5	11	3	3	5	8	7	36	18	20	10	3	5	15	9	6	9	4	3	7	4	6	28	12	19	7	6	12	14	1	6	15	19	5	4	2	2	4	14	20	9	10	8	11	2	2	5	20	12	6	6	6	2	1	2	5	11	10	9	12	16	9	16	14	7	14	8	11	18	9	17	8	14	10	8	7	13	30	4	10	8	18	34	11	1	7	8	10	7	9	17	10	11	15	19	14	28	4	10	5	18	30	10	16	16	11	8	12	12	18	20	20	17	20	3	2	3	20	8	19	13	7	0	13	11	24	20
+2,4'-Dichlorodiphenyldichloroethane	3	4	3	14	15	12	8	11	9	12	15	9	4	5	10	9	2	4	5	6	9	7	13	7	10	13	10	16	15	12	8	4	13	12	17	3	29	5	1	11	9	15	11	1	25	18	18	20	18	5	2	18	45	40	13	11	10	5	6	11	5	12	11	9	9	6	6	5	6	5	3	4	6	12	15	7	10	3	11	16	10	9	13	10	13	10	9	15	23	25	10	9	15	6	5	7	6	14	15	16	21	18	17	18	23	17	15	15	16	11	11	11	12	12	13	5	5	11	7	21	10	5	2	23	10	13	12	0	3	2	28	7	5	9	8	16	12	14	11	11	6	20	6	1	3	6	10	3	4	5	2	2	10	11	5	20	11	11	10	7	14	25	15	19	29	15	36	14	17	35	42	20	14	38	38	3	4	12	12	12	12	2	12	10	7	12	12	1	6	19	28	15	11	8	12	5	4	9	9	7	9	9	9	11	24	2	7	27	5	24	19	18	17	9	9	12	20	31	2	7	16	20	8	14	16	14	12	11	11	6	5	5	7	5	3	5	19	24	17	5	13	17	13	15	19	4	3	10	22	13	19	18	5	11	18	5	12	11	6	9	5	7	3	5	9	3	32	11	19	8	4	5	15	13	6	13	3	3	7	8	4	25	6	19	10	8	11	15	0	5	14	8	4	4	8	1	3	23	19	9	10	10	8	2	4	9	13	17	7	5	8	2	2	1	5	14	9	10	13	20	6	18	14	5	13	13	16	12	7	14	10	18	9	6	10	16	29	2	7	8	16	27	13	7	4	14	13	7	10	21	16	10	22	21	27	21	2	18	16	21	24	18	21	16	10	20	12	15	25	30	30	24	28	3	0	0	20	20	32	21	9	4	20	13	26	22
+2,4'-Dichlorodiphenyltrichloroethane	4	4	3	12	12	9	8	13	11	12	13	11	6	4	11	9	2	3	4	4	8	8	14	7	13	16	11	10	7	17	7	15	23	17	27	4	20	3	1	10	9	16	19	12	15	14	15	15	16	7	6	37	40	66	19	12	14	10	8	33	11	17	15	13	15	10	9	8	14	8	4	9	12	15	12	21	16	10	8	15	15	16	13	11	18	16	12	14	24	26	8	8	14	9	9	17	11	22	15	22	31	20	19	20	28	12	14	14	20	12	11	12	14	8	10	20	15	22	15	37	25	15	19	31	17	22	24	7	6	3	40	5	5	9	8	13	3	6	16	16	9	11	8	3	5	7	9	3	4	6	1	4	9	11	9	14	5	4	5	3	6	42	20	34	44	35	52	36	40	47	60	37	24	47	59	3	3	13	11	7	6	6	13	6	7	9	18	1	9	20	35	14	15	9	15	4	3	14	17	9	16	10	12	13	21	5	13	25	8	19	20	13	18	10	12	10	25	18	5	4	16	20	14	13	15	14	12	18	16	9	8	8	11	10	16	9	39	48	36	8	9	14	6	17	19	4	7	8	22	11	15	15	8	17	23	5	14	14	4	6	6	2	1	6	4	5	37	17	15	8	3	3	19	10	3	13	1	5	9	5	4	33	7	21	11	7	11	14	0	4	12	13	5	7	7	1	3	18	19	11	8	13	7	1	3	4	12	12	10	7	6	1	1	1	4	11	9	8	13	16	9	18	13	6	15	11	13	18	13	14	8	13	9	8	9	17	38	2	11	9	19	31	12	3	15	13	14	4	6	26	18	15	33	19	14	19	7	16	12	22	29	19	25	20	11	13	17	13	25	24	27	30	24	2	0	1	26	10	28	14	6	2	15	10	24	21
+1,2,7,9-Tetrachlorodibenzo-p-dioxin	8	5	5	8	7	10	6	5	5	5	6	6	3	6	7	5	6	6	6	6	5	4	16	5	11	14	7	20	13	28	12	20	22	6	35	11	31	9	4	26	24	22	31	14	13	9	10	12	11	16	16	21	13	19	66	19	31	23	29	27	29	28	28	23	32	26	24	29	30	30	21	27	18	18	19	16	15	9	4	13	21	23	15	14	18	15	15	22	24	20	8	3	11	12	13	21	17	19	15	24	33	11	21	22	20	32	34	30	22	25	19	22	23	33	33	21	19	28	16	36	19	16	15	24	20	25	21	9	9	7	42	14	7	20	7	17	11	10	19	21	11	17	11	6	13	9	10	4	10	13	4	9	12	8	10	19	11	13	15	4	16	33	19	34	42	34	43	32	36	45	44	16	13	10	21	8	4	13	16	13	12	2	13	15	8	9	10	3	10	12	30	9	16	10	16	7	4	12	15	5	11	7	7	6	20	8	17	22	10	20	19	18	23	9	14	14	23	19	6	7	16	10	15	15	17	22	21	32	24	27	27	32	34	29	30	31	29	34	32	29	15	11	11	13	21	3	6	8	21	9	8	7	9	21	26	8	15	9	7	7	12	7	2	5	9	6	38	13	23	7	3	4	16	11	7	15	3	6	8	8	9	27	12	16	14	11	10	14	3	5	22	15	5	11	11	5	3	22	13	12	14	6	15	5	7	9	19	12	7	5	10	4	0	3	12	15	5	13	17	12	9	14	20	8	18	14	15	11	11	18	9	13	11	8	3	11	36	7	8	14	17	29	12	4	7	6	7	7	11	18	3	8	9	19	19	15	5	10	5	18	28	13	13	15	11	14	7	12	20	21	17	18	23	6	2	6	23	17	26	26	12	3	24	22	35	25
+2,4,4'-Trichlorobiphenyl	4	6	5	11	11	15	12	7	6	6	10	11	6	7	7	7	6	6	7	7	5	5	14	5	10	9	8	16	3	16	4	22	21	10	33	8	17	6	1	25	24	40	23	4	22	21	22	21	22	21	17	32	11	12	19	40	33	32	28	22	24	38	39	33	33	32	32	29	30	29	22	24	14	17	12	12	3	5	2	11	12	12	12	13	9	7	9	12	15	14	6	3	11	5	7	16	10	15	12	13	19	14	13	12	16	23	22	20	22	24	23	22	18	18	19	18	12	18	17	21	13	13	11	17	8	12	10	7	7	6	31	4	4	12	9	13	4	4	12	17	10	9	8	4	6	4	8	2	6	9	5	7	8	4	8	11	9	5	9	2	8	37	15	27	33	23	31	26	30	31	33	29	10	18	16	4	3	6	13	9	11	3	10	7	5	9	6	1	9	14	24	11	17	11	14	5	4	10	15	9	12	9	12	6	27	5	14	21	5	11	16	20	20	12	11	11	19	8	3	6	9	11	14	22	31	40	39	39	38	25	23	24	31	32	24	31	31	28	31	29	9	11	9	11	16	0	4	11	20	11	12	11	9	11	19	2	12	7	10	5	7	5	3	3	7	5	30	14	17	10	6	6	12	8	6	12	4	7	9	4	5	26	7	19	3	4	10	14	1	6	21	15	3	5	1	2	3	15	16	7	5	3	10	2	4	4	19	9	7	16	7	2	1	3	5	10	9	8	11	12	6	14	14	7	14	8	11	15	6	15	11	18	6	5	6	14	23	2	10	8	18	31	15	3	7	7	10	7	7	14	6	6	14	19	13	24	3	10	8	20	26	11	16	17	14	6	14	10	12	18	26	17	20	4	2	2	26	11	17	14	5	0	15	12	20	18
+2,2',4,5,5'-Pentachlorobiphenyl	5	4	6	6	6	11	6	5	4	6	9	10	5	7	6	6	5	4	5	5	3	5	13	5	7	10	7	18	9	16	11	26	25	7	35	9	22	8	2	24	58	40	49	17	35	33	33	32	33	33	35	39	10	14	31	33	81	55	66	66	66	59	52	45	78	56	55	64	65	65	47	60	20	13	12	19	11	9	2	10	24	23	9	9	14	10	6	10	15	25	7	6	19	8	11	22	15	16	18	21	25	15	17	15	18	36	38	36	24	23	23	29	20	27	30	24	16	31	23	38	24	17	14	20	13	24	24	14	10	9	49	7	6	17	9	23	8	9	19	22	15	13	12	8	13	2	7	3	6	10	5	11	8	11	10	19	10	8	9	4	8	56	19	48	60	49	57	46	48	59	56	35	12	21	17	4	4	10	9	7	7	0	11	8	7	13	10	1	5	13	29	14	19	10	14	5	4	10	14	9	9	9	9	10	37	5	19	21	5	18	29	18	22	19	14	14	27	13	3	12	15	16	18	16	24	39	36	61	51	65	67	66	72	59	52	66	45	57	61	65	11	11	10	16	21	1	6	13	24	14	7	7	16	17	26	7	16	13	6	7	17	7	4	4	14	6	40	23	22	6	6	5	9	12	5	8	4	5	10	3	10	29	18	22	10	10	9	12	2	8	23	15	4	10	2	2	4	18	17	12	14	8	10	2	6	11	22	14	7	7	8	4	1	3	9	17	12	9	13	18	13	17	14	10	15	12	17	13	14	15	11	18	10	9	8	14	43	6	12	15	20	47	18	0	11	17	17	8	8	18	12	9	12	21	18	33	9	11	6	26	34	15	20	21	18	9	13	13	18	26	32	16	22	8	3	2	25	9	18	21	8	2	23	15	25	21
+2,3',4,4',5-Pentachlorobiphenyl	5	4	5	5	5	10	5	4	4	4	6	8	4	5	4	4	4	4	4	4	2	3	11	3	7	7	3	14	7	12	7	22	20	4	29	8	15	8	2	20	47	36	39	11	29	28	28	27	28	27	27	34	5	10	23	32	55	58	49	49	51	47	46	44	57	51	55	49	51	48	42	49	16	11	10	16	7	5	2	9	20	21	6	7	12	8	5	8	13	18	6	5	12	9	12	17	11	12	13	17	19	12	13	12	13	29	29	25	21	19	20	23	16	21	26	18	14	25	19	25	18	14	13	15	11	22	21	11	9	8	38	6	3	12	7	18	7	9	14	19	12	11	8	4	9	2	4	2	5	6	5	5	7	7	7	14	10	7	8	4	6	45	13	36	46	39	43	33	35	45	43	28	10	20	13	3	2	5	7	7	7	0	8	7	7	8	9	1	4	11	21	8	17	7	12	4	3	7	10	6	7	7	6	9	29	4	15	19	5	12	23	14	17	14	11	15	18	8	3	8	10	12	14	13	20	37	35	50	46	50	51	50	55	53	42	47	36	46	48	47	10	10	7	12	15	1	4	9	16	11	6	6	11	15	21	5	14	10	6	5	12	4	2	1	9	4	30	18	16	5	5	4	8	10	3	5	4	4	7	3	7	23	12	17	7	8	8	9	2	4	20	13	4	7	2	2	3	14	14	10	10	7	8	2	6	7	21	10	6	7	4	4	1	3	7	14	11	6	10	11	10	14	8	10	14	11	16	8	9	11	10	15	8	8	4	10	35	5	10	10	16	37	15	0	8	9	10	6	6	15	10	5	9	14	13	27	8	9	5	21	27	12	12	17	15	6	11	9	12	21	26	13	19	6	3	2	18	7	15	17	5	2	17	12	19	16
+2,2',3,4,4',5'-Hexachlorobiphenyl	6	5	5	5	7	9	6	3	3	5	9	10	5	6	5	6	7	6	7	7	4	5	16	6	8	14	7	19	10	14	11	26	26	6	35	8	25	10	4	26	70	33	68	19	37	32	33	33	34	36	36	36	6	8	29	28	66	49	94	94	81	47	40	41	70	49	50	79	74	82	58	73	12	11	12	23	8	5	4	10	26	21	7	11	18	11	8	12	17	30	7	6	13	8	8	15	11	10	14	16	26	14	13	14	14	45	45	39	26	27	30	32	25	22	34	28	17	26	20	37	23	17	15	25	21	33	33	12	15	8	55	9	6	16	9	20	6	9	18	21	15	13	11	8	14	3	6	3	5	7	5	8	7	11	10	17	6	7	8	3	7	52	23	52	64	55	65	49	55	58	69	30	8	19	11	6	2	8	9	7	7	1	10	8	9	12	13	0	6	11	32	13	20	10	14	6	5	7	13	7	9	7	7	10	29	4	19	25	5	17	32	22	20	17	11	13	24	13	4	8	13	17	29	15	21	34	31	52	41	76	84	82	69	55	68	84	65	69	68	82	10	10	10	16	17	3	5	9	16	15	6	5	10	19	27	8	15	13	6	8	9	5	3	3	13	7	37	23	19	6	3	5	11	12	4	9	5	4	9	5	8	26	10	18	10	9	8	12	5	7	26	15	5	9	2	3	4	16	14	10	15	8	9	3	7	9	23	12	8	4	7	5	1	3	9	19	11	8	14	16	12	15	12	10	14	10	19	13	9	18	12	17	11	10	6	19	40	6	12	14	16	43	15	1	9	14	15	7	9	17	10	9	11	23	20	30	11	12	5	20	30	16	11	13	10	9	9	11	17	20	33	12	20	7	4	3	23	9	16	23	9	4	22	18	19	17
+2,2',4,4',5,5'-Hexachlorobiphenyl	9	6	3	6	8	10	8	5	5	6	5	8	5	7	6	7	5	6	7	7	6	6	16	5	12	16	8	19	10	19	6	28	23	8	43	5	22	9	3	23	66	29	57	26	44	38	40	38	39	27	19	16	11	33	27	22	66	49	94	118	78	44	41	37	70	47	51	90	84	96	64	71	18	13	13	33	13	9	6	11	24	26	10	12	22	15	8	12	24	37	8	7	19	10	10	23	15	16	15	24	32	17	19	19	19	42	50	44	26	19	25	21	21	29	39	31	24	41	27	47	25	23	24	41	19	44	42	18	12	10	65	11	5	17	9	19	6	12	15	21	14	13	13	7	15	3	6	2	6	8	5	8	8	10	9	13	5	4	5	5	4	69	32	55	84	64	85	56	61	74	84	24	14	22	35	6	4	26	7	6	6	2	11	6	10	16	14	1	7	11	40	7	19	10	20	5	4	17	20	12	20	13	14	13	31	4	17	25	5	12	45	18	21	18	7	9	26	13	5	10	12	20	32	13	18	27	25	51	40	73	77	80	70	55	66	99	71	77	72	96	9	10	11	17	21	3	6	9	23	11	3	2	10	10	25	8	19	10	7	9	13	4	4	7	9	5	47	21	22	4	4	5	13	13	4	10	4	4	10	8	12	31	15	23	12	6	11	9	5	6	22	10	5	6	2	4	4	15	15	11	13	9	11	2	7	9	20	13	8	11	7	6	1	3	8	14	11	9	12	20	14	14	15	7	16	12	25	16	12	19	13	21	11	10	7	16	61	4	11	19	21	45	17	2	17	17	19	9	9	28	17	8	24	26	19	24	11	12	7	26	29	22	16	21	17	15	14	24	22	20	40	15	19	8	3	2	35	9	20	23	6	6	22	18	22	15
+2,2',3,4,4',5,5'-Heptachlorobiphenyl	7	8	8	7	9	8	6	4	4	7	10	9	9	5	6	7	9	8	10	10	3	5	19	6	7	13	10	16	8	16	13	42	28	9	40	8	26	9	4	28	91	30	81	31	34	29	30	29	28	41	37	31	5	11	29	24	66	51	81	78	122	47	44	40	70	50	52	78	83	82	58	100	12	14	12	27	9	4	2	11	27	23	10	13	18	14	12	14	24	44	9	8	15	10	11	16	11	17	23	26	35	15	17	17	19	58	57	63	39	30	33	40	29	29	34	51	30	45	26	54	31	22	21	43	20	40	33	15	13	9	65	13	8	19	8	21	5	7	17	19	13	16	14	12	16	3	7	3	6	9	8	10	5	9	12	16	5	7	7	3	7	67	30	58	71	67	81	52	57	68	85	26	11	13	15	7	1	11	10	9	9	1	10	9	9	14	8	0	7	13	30	18	23	11	18	8	7	9	16	8	9	9	8	17	30	6	17	23	5	17	44	28	25	22	12	14	30	15	4	11	15	18	37	14	21	29	27	53	40	104	112	111	69	57	108	91	83	78	77	88	11	9	9	17	26	3	8	10	20	14	6	5	14	17	27	10	13	15	5	11	11	5	3	4	15	6	45	28	21	5	2	5	9	8	6	13	6	4	6	4	9	32	12	18	10	7	13	14	6	6	27	16	5	11	4	4	5	13	15	7	13	6	10	3	7	9	31	14	9	5	10	4	1	3	8	15	11	10	15	19	13	11	14	11	12	13	23	10	12	14	12	15	11	9	3	19	52	6	15	19	17	47	16	0	15	14	18	8	9	20	11	12	10	28	25	26	12	14	3	25	32	16	13	13	13	11	8	16	20	28	36	13	25	9	5	4	29	4	12	21	11	5	22	17	20	18
+2,2',5,5'-Tetrachlorobiphenyl	7	7	6	9	9	13	9	7	6	10	11	10	6	10	11	11	9	8	9	9	5	6	17	6	10	14	8	17	8	20	8	26	28	9	33	8	22	9	1	29	45	47	36	9	36	33	35	33	34	32	28	39	12	17	28	38	59	47	47	44	47	70	55	51	62	47	48	48	52	50	41	43	22	25	14	15	7	8	2	10	20	22	10	10	9	7	10	12	19	22	8	6	17	8	11	21	13	17	16	22	26	18	19	16	18	31	29	27	21	23	22	27	20	26	27	21	13	27	21	30	18	18	15	18	11	22	19	13	9	10	48	8	6	18	8	21	8	8	18	24	14	11	12	8	11	2	7	2	5	10	5	10	10	11	11	20	9	7	9	4	9	53	20	42	50	40	50	42	44	49	52	33	14	24	20	3	3	11	7	4	5	0	9	6	7	15	10	2	6	18	33	15	24	10	14	6	5	13	16	12	12	13	13	12	39	5	20	20	7	18	25	21	25	19	16	15	25	14	2	13	13	15	17	19	29	50	44	67	58	46	45	43	59	47	35	54	42	44	46	51	13	12	9	13	22	2	7	13	24	12	11	11	19	21	30	5	16	10	9	7	16	4	4	3	12	4	44	25	22	7	6	5	11	11	5	11	3	7	11	5	9	32	16	23	10	9	15	15	1	4	22	19	4	9	2	3	3	17	14	15	12	7	11	3	4	9	23	12	9	10	9	4	1	3	7	15	12	10	15	17	9	16	15	9	15	8	16	17	16	17	12	17	7	6	6	13	38	5	12	11	22	42	19	2	7	18	20	11	13	18	9	8	16	20	17	34	6	12	6	27	38	12	23	23	19	8	13	17	23	23	34	16	23	7	3	2	31	11	23	16	8	1	19	13	25	23
+2,3',4,6-Tetrachlorobiphenyl	6	6	5	10	10	13	9	7	6	8	11	11	5	8	8	8	7	6	7	7	4	4	15	4	9	11	6	16	10	19	6	26	24	7	35	7	19	7	1	25	43	47	32	8	34	32	33	32	33	29	26	39	11	15	28	39	52	46	40	41	44	55	61	47	54	46	47	43	46	46	35	41	18	21	15	14	7	8	2	11	19	20	11	12	10	8	8	12	17	18	7	5	17	6	10	21	13	13	17	21	21	17	17	20	16	29	28	25	19	21	20	24	17	24	25	21	12	23	20	25	16	17	15	20	15	20	18	12	8	8	42	7	4	16	7	18	8	8	16	23	13	12	10	6	10	2	7	3	5	8	5	9	10	10	9	19	10	8	10	4	8	49	17	39	47	35	45	37	39	46	47	33	14	22	19	4	3	9	9	5	6	0	10	8	6	11	9	1	5	16	33	12	20	10	13	5	4	11	17	11	11	12	11	9	36	4	18	21	5	18	21	17	20	17	13	12	23	13	2	12	13	13	15	19	27	47	42	57	50	42	42	41	51	46	31	48	40	42	45	46	12	12	10	12	19	1	5	13	25	11	10	10	18	19	26	5	16	8	8	6	13	5	3	3	12	6	40	23	22	8	5	6	12	11	4	9	3	7	10	5	8	32	13	21	8	11	13	17	2	6	21	19	3	8	2	2	3	17	13	11	11	7	10	2	5	8	22	11	8	7	7	3	1	3	8	14	11	9	15	15	10	18	14	7	16	9	15	16	15	14	10	17	7	6	7	14	35	5	13	11	20	39	18	1	7	16	18	9	11	16	10	8	11	19	16	33	5	13	8	22	35	10	19	19	15	9	13	13	23	23	29	20	24	7	3	2	31	10	23	17	8	1	19	13	24	24
+2,3',5',6-Tetrachlorobiphenyl	7	5	5	8	8	13	8	6	5	7	8	10	4	9	8	8	7	6	7	7	4	3	13	3	9	10	6	15	7	14	6	23	17	6	29	7	20	9	1	22	39	39	31	7	28	27	27	26	27	27	25	37	9	13	23	33	45	44	41	37	40	51	47	51	46	42	43	41	43	42	36	39	16	18	13	12	7	7	2	10	16	18	8	8	10	7	9	9	15	15	7	4	13	6	9	17	10	14	13	18	17	13	15	14	13	25	25	21	18	19	19	21	14	21	23	16	10	19	16	21	14	15	13	14	10	17	15	11	8	8	37	7	4	14	7	16	8	9	15	22	12	10	9	5	9	2	6	2	5	7	5	7	9	8	8	17	8	6	9	3	7	44	12	33	41	31	36	31	33	38	37	29	10	19	17	2	3	6	7	4	4	0	8	6	5	10	9	1	5	14	25	10	17	8	11	4	3	10	14	9	10	10	9	8	33	4	17	18	6	14	19	13	18	14	12	13	20	9	1	8	11	11	14	18	26	41	35	51	48	40	39	39	46	43	31	45	32	35	38	44	12	11	8	10	17	2	5	10	17	12	10	10	15	17	22	4	14	8	7	4	11	4	3	2	11	4	33	22	17	6	5	4	10	10	3	8	3	6	8	4	7	24	11	20	8	8	12	12	0	4	20	17	4	8	2	2	3	14	13	10	11	7	10	2	4	6	19	10	9	6	6	4	1	3	8	14	12	8	12	11	8	15	10	7	14	7	11	11	11	13	11	16	7	6	4	13	30	5	11	10	18	35	18	1	6	16	17	10	12	13	8	7	11	14	14	27	4	11	5	22	30	9	15	16	15	7	11	12	17	20	27	15	20	5	3	2	21	9	19	14	5	0	16	12	21	19
+2,2',3,4',5-Pentachlorobiphenyl	6	6	6	6	6	11	6	5	4	6	9	10	5	8	6	7	7	6	7	7	4	7	17	6	8	12	9	21	11	17	11	28	27	7	35	9	24	9	3	27	62	40	53	17	42	37	39	37	37	35	36	40	9	15	32	33	78	57	70	70	70	62	54	46	89	57	59	69	70	70	52	66	23	15	14	19	11	8	3	10	28	28	9	11	16	12	8	12	19	28	8	7	19	8	11	27	17	17	18	24	30	21	21	19	20	37	42	35	25	27	27	31	23	28	32	25	17	35	23	39	24	18	15	24	13	25	25	15	13	12	53	9	6	21	9	27	8	11	19	23	16	15	13	8	15	2	7	3	6	10	5	10	9	12	12	20	10	8	9	4	8	60	23	52	65	54	63	49	51	64	60	37	13	23	19	4	4	13	9	7	7	1	12	8	7	16	11	1	6	13	32	14	21	11	15	5	4	10	14	9	9	9	9	12	39	5	21	26	6	19	32	18	26	20	16	15	28	16	5	13	16	19	22	17	24	39	36	68	55	70	74	72	78	62	56	73	50	61	67	71	12	13	12	19	23	1	7	13	26	14	7	7	16	21	29	7	19	14	8	8	16	5	4	5	14	6	45	23	23	7	7	5	9	14	5	9	4	6	11	5	12	32	17	22	11	8	13	15	3	8	28	16	4	9	2	2	4	19	17	15	15	9	11	2	6	11	26	13	8	10	8	5	1	4	8	18	12	10	14	19	14	17	15	10	18	13	17	16	15	16	11	18	13	12	8	14	48	5	13	17	21	50	18	0	12	17	19	9	9	21	12	10	14	24	22	35	11	10	7	27	36	18	21	23	19	8	14	14	20	26	36	15	23	8	3	2	27	10	19	25	9	5	26	17	26	21
+2,3,3',4,5-Pentachlorobiphenyl	4	3	4	6	6	11	6	5	4	4	5	6	4	4	4	3	3	3	3	3	2	3	12	3	7	8	4	16	7	13	4	23	20	4	32	6	16	8	2	19	45	34	39	13	26	26	26	25	26	27	29	36	6	10	26	32	56	51	49	47	50	47	46	42	57	58	51	49	54	49	42	47	15	12	10	15	7	6	2	9	20	19	5	7	11	8	5	7	12	18	6	4	12	6	9	15	12	12	13	16	18	13	13	12	13	30	30	26	20	19	19	24	16	23	25	15	12	25	20	26	16	15	11	15	11	19	18	10	9	8	37	6	4	12	8	18	7	9	14	20	11	12	9	4	9	2	7	2	5	6	5	5	7	6	9	13	10	7	8	3	6	44	12	36	44	40	41	32	34	43	43	30	9	18	13	3	2	7	7	6	6	0	7	7	6	6	7	1	4	12	23	7	18	7	14	4	3	9	10	8	8	8	8	7	29	4	16	18	5	13	22	14	19	16	13	13	18	9	3	8	10	14	14	15	21	35	34	50	47	49	51	50	54	51	39	49	34	44	47	48	10	10	7	10	15	1	3	10	16	9	6	6	12	12	19	4	15	9	5	5	12	4	2	4	10	4	29	19	18	5	5	4	8	9	3	5	4	4	7	3	7	22	12	16	8	6	9	12	1	5	21	13	4	6	2	2	3	12	12	8	11	7	8	1	5	8	19	10	7	6	4	5	1	3	7	15	12	5	9	11	10	14	10	10	14	9	14	9	11	9	9	14	8	7	5	12	34	5	10	9	16	35	13	0	8	9	12	5	5	13	10	7	8	14	14	27	7	8	6	21	28	13	11	18	16	6	10	9	13	20	25	11	17	7	3	2	18	7	14	17	5	2	17	13	18	15
+3,3',4,5,5'-Pentachlorobiphenyl	5	4	5	5	5	10	5	4	4	4	5	6	4	6	4	4	4	4	4	4	2	3	11	3	8	8	3	14	7	14	6	22	21	4	30	7	14	8	2	19	48	36	41	12	32	30	30	30	30	28	26	34	6	9	24	32	55	55	50	51	52	48	47	43	59	51	59	50	52	50	44	51	16	11	11	16	7	5	2	9	22	21	7	7	12	8	5	9	14	17	6	5	14	8	11	18	12	13	15	17	21	14	13	14	14	30	30	26	20	18	18	23	14	20	26	17	14	26	19	28	17	15	12	17	11	21	19	11	10	8	38	6	3	13	7	17	6	9	14	18	11	10	8	4	8	2	4	2	5	6	5	5	7	7	7	13	10	7	8	4	5	46	14	36	46	39	45	33	35	45	44	29	10	18	14	3	3	7	7	7	7	0	8	7	7	8	7	1	4	11	20	7	16	9	12	4	3	8	11	7	8	7	7	9	32	4	14	20	5	13	22	14	17	16	11	13	18	8	5	8	10	12	15	12	19	36	34	52	45	51	53	52	58	53	41	50	35	46	47	50	10	10	7	11	16	1	4	10	18	11	6	6	12	14	21	5	14	11	5	6	12	4	3	2	9	4	32	18	18	5	5	4	8	9	4	5	4	4	8	3	7	21	13	17	7	7	8	9	2	4	18	12	4	7	2	2	3	14	13	10	10	7	10	1	6	7	20	11	6	7	5	5	1	3	7	14	11	8	11	12	10	14	10	9	14	10	15	10	10	10	11	15	8	7	4	10	34	5	12	11	16	37	16	0	9	10	12	7	7	15	9	6	9	14	13	27	9	9	5	22	26	13	11	19	16	6	11	12	14	22	26	13	20	6	3	2	19	7	16	16	4	2	16	11	20	15
+2,3',4,4',5',6-Hexachlorobiphenyl	5	5	4	5	7	9	6	4	4	4	9	9	5	7	5	4	6	5	6	6	2	4	13	4	9	14	7	17	9	17	10	26	27	5	36	7	19	10	4	27	68	35	66	18	39	36	35	35	35	37	37	34	5	8	29	29	64	49	79	90	78	48	43	41	69	49	50	92	77	90	62	77	13	12	10	21	9	7	3	10	27	22	9	11	16	11	8	12	18	31	7	5	14	9	10	18	12	12	17	18	25	15	16	17	15	50	48	42	25	27	28	27	24	24	34	28	23	30	20	35	24	20	17	25	22	30	30	12	14	8	49	7	5	17	9	20	6	9	16	18	15	14	10	8	14	2	6	3	4	8	5	9	7	9	12	16	6	7	8	3	6	56	25	55	63	55	61	50	54	58	67	31	8	17	11	8	3	10	9	8	7	0	9	7	9	12	9	1	5	11	29	11	18	11	12	6	5	8	13	7	9	7	7	9	32	4	18	22	4	15	36	24	21	16	10	13	24	10	4	8	13	16	27	14	22	34	32	55	43	79	81	83	70	56	67	87	63	72	70	84	9	12	11	16	20	2	6	10	18	14	5	5	12	16	27	7	15	12	6	7	9	5	4	5	13	6	40	22	21	5	4	6	10	11	5	11	4	5	9	5	9	26	10	19	8	8	7	12	5	6	24	14	5	9	2	4	4	16	13	10	13	8	11	3	6	8	27	13	7	6	9	5	1	3	9	14	12	10	11	16	12	13	11	9	14	10	20	14	10	16	11	17	11	10	6	18	41	7	13	15	15	46	16	0	12	14	15	8	10	20	10	8	8	24	20	29	14	11	6	23	28	16	10	16	13	9	10	14	17	21	34	11	21	6	4	3	23	7	15	20	9	6	22	15	21	16
+2,3,3',4,5,6-Hexachlorobiphenyl	5	6	5	6	7	8	6	5	4	5	10	10	5	6	5	6	7	6	7	7	3	5	16	6	7	13	8	16	8	14	11	27	29	6	38	8	21	9	3	24	74	37	69	28	39	34	35	36	33	37	39	38	6	14	30	30	65	51	74	84	83	52	46	43	70	54	52	77	104	81	57	79	14	16	9	21	7	5	3	10	29	23	5	7	14	11	7	8	18	37	6	7	17	8	9	20	11	14	17	20	29	14	13	15	16	51	55	47	31	26	30	33	23	26	35	36	26	37	25	43	29	17	19	26	19	34	33	11	14	9	55	8	6	16	11	19	5	8	17	19	13	13	10	8	14	2	7	2	4	8	3	8	4	8	13	13	6	6	7	2	7	65	26	60	67	63	68	59	64	63	78	39	11	24	15	4	3	14	8	7	7	0	8	7	9	11	12	1	6	12	33	12	22	10	16	5	4	8	14	7	8	7	7	12	39	4	16	21	7	16	37	24	23	19	10	16	24	13	6	11	12	18	30	16	21	35	32	58	45	83	86	84	68	58	80	87	74	75	72	84	8	9	10	15	25	3	6	9	19	14	8	7	13	17	26	7	15	13	4	10	12	4	4	8	17	7	45	24	21	6	5	6	9	9	6	9	6	4	6	3	7	27	13	20	11	7	15	17	5	7	30	19	5	7	2	2	3	13	15	8	13	5	11	3	8	8	26	18	8	7	8	5	1	2	7	17	13	9	12	17	15	14	10	10	13	10	21	12	10	16	12	19	11	9	7	19	42	5	13	19	19	47	17	0	12	15	17	9	10	22	11	10	13	26	19	33	13	15	5	25	31	16	16	16	14	8	10	15	18	20	36	9	20	10	2	1	23	5	13	20	8	4	20	14	20	16
+2,3,3',4',5',6-Hexachlorobiphenyl	5	5	4	5	7	9	6	4	4	4	9	9	5	7	5	4	6	5	6	6	2	4	13	4	10	14	6	17	9	17	9	27	27	5	37	7	20	10	4	28	71	36	68	20	41	37	37	37	37	38	37	37	5	8	30	29	65	48	82	96	82	50	46	42	70	49	50	90	81	97	64	80	14	11	12	22	9	6	6	10	27	22	8	11	17	12	7	11	18	32	6	6	16	7	8	21	13	13	17	20	24	15	16	16	15	50	49	43	24	28	29	28	25	26	36	27	21	31	22	36	23	20	19	24	22	31	31	13	14	10	51	9	5	17	9	20	5	9	16	18	15	14	10	8	14	2	6	3	4	8	5	9	7	9	12	15	6	7	8	3	6	58	26	57	66	58	65	53	57	61	72	32	8	16	11	8	3	13	9	7	7	0	9	7	8	14	9	1	5	11	30	11	20	10	14	6	5	8	14	7	9	6	7	9	35	4	18	22	4	14	36	24	22	17	10	12	24	11	4	10	13	17	26	14	22	35	33	57	44	81	84	86	70	57	69	92	66	74	73	90	9	11	11	16	21	2	6	9	18	16	5	4	13	16	25	7	16	12	6	10	10	4	4	6	14	6	43	23	22	5	4	6	9	11	5	11	5	5	9	5	10	28	11	20	9	7	11	14	5	6	25	16	5	8	2	3	4	14	13	10	14	7	12	3	8	7	28	14	7	8	9	5	1	3	8	16	12	10	12	19	12	13	12	9	14	10	20	14	11	17	11	18	11	10	6	16	44	6	14	16	18	48	17	0	12	15	17	8	10	22	10	10	11	25	20	30	14	12	5	25	28	17	13	17	14	9	11	14	16	21	38	14	22	8	4	3	27	7	15	20	9	6	22	15	20	16
+2,3,3',4',5,6-Hexachlorobiphenyl	4	5	3	5	5	7	6	3	3	3	5	6	4	5	3	4	5	5	5	5	2	4	10	4	7	11	6	11	7	9	6	21	20	4	28	4	12	7	2	20	54	26	52	13	31	27	28	28	26	28	28	27	3	4	21	22	47	42	58	64	58	41	35	36	52	42	44	62	57	64	64	60	9	7	6	18	6	3	2	7	18	14	5	7	10	8	6	9	13	23	6	4	9	5	5	14	9	8	13	15	19	10	10	12	10	36	35	29	18	20	19	20	19	19	25	15	11	18	15	25	15	14	13	17	13	22	19	10	9	7	35	5	3	12	7	16	4	6	11	12	11	9	6	5	9	1	3	1	2	5	4	5	4	4	9	10	5	7	6	2	6	42	17	36	43	40	42	31	35	41	46	22	6	14	6	5	2	8	5	7	6	0	7	5	7	7	7	0	5	9	19	7	17	9	10	5	4	7	10	7	8	6	7	7	25	3	11	19	4	9	25	18	16	14	7	11	16	8	3	4	8	10	20	10	14	25	24	46	37	56	59	59	52	47	46	63	49	53	53	61	7	8	8	9	14	2	5	9	12	13	5	5	9	12	19	4	11	11	4	8	9	2	3	3	10	3	33	17	18	4	3	4	8	7	3	7	5	2	5	3	5	19	10	15	9	4	6	10	5	2	15	11	5	5	1	3	2	8	9	7	10	5	10	2	6	4	20	11	6	3	7	4	1	3	6	12	10	8	7	8	9	9	8	6	11	7	15	8	8	10	9	14	8	7	2	13	30	5	12	12	13	35	13	0	9	11	12	6	7	13	6	5	4	17	13	23	11	7	3	19	19	10	5	11	10	7	5	11	13	16	23	6	14	6	3	2	15	2	11	14	8	4	13	11	13	9
+2,3,3',4',5,5',6-Heptachlorobiphenyl	4	7	5	4	6	7	5	3	3	5	9	8	6	4	4	5	7	6	8	8	2	4	17	5	8	13	8	16	9	16	12	36	29	7	40	7	22	9	4	24	87	29	78	26	33	28	30	28	28	38	37	31	4	9	27	24	60	49	73	71	100	43	41	39	66	47	51	77	79	80	60	111	13	15	12	23	10	3	2	10	25	22	9	14	18	14	11	16	25	41	8	7	15	11	12	16	11	14	22	27	32	14	17	16	17	52	51	56	36	29	29	34	26	26	34	41	27	41	23	49	30	18	19	38	17	35	30	15	11	8	59	10	5	17	7	19	5	8	15	18	11	15	10	9	14	3	6	3	5	8	5	9	6	8	10	14	6	8	8	3	8	62	22	56	66	60	75	46	52	62	77	23	12	11	12	7	1	8	10	10	10	1	9	8	9	11	8	0	8	9	27	13	21	9	13	6	5	7	13	7	8	7	8	13	29	5	17	22	4	16	39	23	20	19	11	12	26	13	4	8	13	15	31	11	19	28	27	50	38	98	105	108	66	55	97	87	84	73	74	84	10	8	9	17	22	4	9	10	18	16	5	4	12	14	27	9	13	13	5	9	8	4	3	3	13	6	43	24	19	5	2	5	12	9	5	13	5	4	6	4	8	26	9	17	10	5	13	11	6	5	26	16	5	9	4	4	5	11	14	9	12	6	10	3	8	8	28	15	9	5	9	5	1	3	8	15	10	9	12	16	13	12	11	10	12	11	21	11	10	13	10	15	12	10	3	17	50	6	13	19	13	42	14	0	13	15	19	7	8	16	11	10	9	25	20	21	11	12	3	27	25	17	10	14	11	11	8	15	20	27	33	11	24	9	4	4	25	5	13	21	11	5	22	17	18	15
+cis-Prallethrin	5	2	5	4	5	10	5	0	0	5	8	2	4	0	1	1	1	2	2	2	4	3	18	3	10	22	11	25	18	31	12	24	15	7	32	15	35	12	7	17	19	18	20	6	8	13	13	12	15	7	5	17	6	12	18	14	20	16	12	18	12	22	18	16	23	15	16	13	14	14	9	13	55	38	29	34	24	16	11	25	31	28	30	28	29	22	20	34	32	20	16	10	17	17	19	31	32	35	29	30	39	18	25	25	33	14	10	13	9	11	9	11	15	12	10	11	11	15	9	36	22	14	9	26	22	21	17	18	20	13	33	22	13	28	3	25	20	25	30	23	16	26	21	11	20	12	19	6	17	18	4	18	23	17	18	29	13	10	13	4	14	24	22	29	28	33	41	26	27	32	38	13	8	13	10	10	4	11	20	14	16	7	20	16	7	9	12	1	12	6	30	7	13	2	17	3	2	14	16	10	14	12	11	5	11	5	26	27	16	20	18	21	23	13	18	18	30	32	9	7	13	13	21	11	12	15	15	28	25	13	14	13	21	16	12	12	28	31	30	12	18	19	18	17	14	1	9	8	26	14	10	8	12	7	30	10	21	12	15	2	22	8	4	7	9	11	31	15	16	6	6	7	18	21	6	17	3	13	16	14	15	28	24	11	12	13	8	10	2	9	15	11	3	16	15	4	4	35	14	22	20	15	11	4	4	7	14	14	19	4	6	7	0	2	20	17	8	12	31	21	14	15	25	7	27	16	15	20	19	8	12	11	22	19	11	17	36	12	6	15	9	22	11	6	12	7	7	11	14	20	15	14	9	33	25	26	6	10	8	21	28	24	15	14	6	20	9	24	25	29	22	26	30	10	4	5	17	21	32	31	11	12	28	18	40	39
+trans-Prallethrin	8	4	4	7	9	10	7	4	4	9	10	5	6	3	5	4	2	4	4	5	7	5	16	7	16	25	12	29	21	36	16	26	21	10	31	16	45	16	11	11	21	18	19	1	16	18	17	18	20	4	6	19	12	15	18	17	13	11	11	13	14	25	21	18	15	12	11	12	16	11	7	15	38	64	33	32	26	16	14	26	31	30	32	27	32	24	22	34	30	19	15	12	23	18	20	32	36	35	30	34	44	30	35	30	38	8	6	6	10	9	7	9	10	12	9	4	5	14	7	39	18	9	6	31	20	17	16	13	15	13	28	29	11	29	5	25	24	25	30	29	18	28	21	13	22	16	19	8	18	22	8	19	28	20	20	35	18	13	15	7	19	32	23	20	22	37	44	20	24	43	48	19	14	15	15	12	5	13	24	22	20	4	22	21	11	8	17	2	10	11	35	11	20	6	22	6	5	17	23	14	21	17	17	12	28	7	33	34	19	22	24	25	30	19	25	22	32	32	8	9	16	18	17	12	12	19	17	27	25	14	14	14	17	11	12	12	25	27	27	11	25	25	21	19	13	4	8	13	26	16	16	14	15	13	31	13	32	13	17	6	17	9	3	7	11	10	39	15	20	12	5	7	24	23	9	21	5	13	16	17	18	28	18	14	20	15	20	12	1	11	22	16	7	20	18	5	10	40	23	28	22	20	13	6	6	11	12	20	24	9	13	14	0	2	24	24	12	17	27	21	15	25	30	12	31	26	16	23	20	13	17	14	25	26	11	19	37	17	8	16	13	26	14	5	12	16	12	17	17	25	15	20	17	37	32	27	8	15	9	23	30	28	16	25	10	26	11	21	33	41	26	31	44	10	5	8	23	26	35	41	13	13	35	22	51	46
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+1,2,3,7,8-Pentachlorodibenzo-p-dioxin	6	6	4	8	7	10	6	7	7	7	5	9	6	7	9	9	6	7	7	7	6	5	13	6	11	7	3	15	4	12	7	12	21	8	26	6	13	6	1	24	26	25	31	17	15	13	12	13	13	25	19	20	13	10	33	19	30	26	34	39	34	27	25	23	32	25	26	34	35	36	25	34	10	9	5	11	7	3	4	8	14	14	4	4	7	5	7	8	12	22	5	1	10	5	5	11	10	10	8	19	17	8	10	11	11	51	51	45	33	30	30	31	25	34	65	27	24	34	25	29	15	19	20	18	14	26	26	14	11	8	40	5	4	15	8	15	6	4	13	16	14	11	9	7	5	3	7	2	5	8	5	5	4	3	8	9	4	5	5	4	9	45	22	42	47	43	49	38	40	43	46	22	10	11	13	3	3	16	8	8	7	0	6	6	6	6	8	2	12	10	26	10	14	11	19	10	9	11	16	9	12	9	11	9	27	6	14	12	6	12	27	14	19	12	5	13	19	11	3	11	11	6	26	18	19	24	23	31	27	34	32	33	33	31	43	37	42	35	34	36	7	5	6	9	18	4	6	10	14	9	4	4	7	17	16	8	8	10	2	10	8	5	2	2	9	3	35	17	19	4	3	3	8	3	7	8	7	1	2	5	7	20	10	14	10	3	5	17	1	2	19	18	3	6	5	4	4	13	7	5	10	2	10	4	4	7	17	7	6	5	5	1	1	4	4	10	8	7	8	12	4	8	18	9	8	4	21	8	6	11	10	9	5	3	4	11	27	3	10	10	16	32	8	2	8	16	20	7	8	14	7	5	10	11	18	22	5	7	2	20	24	13	9	17	12	10	5	11	11	13	15	9	17	6	1	3	23	5	12	11	11	2	12	11	16	11
+2,3,4,5-Tetrabromo-6-chlorotoluene	10	8	7	9	9	7	8	9	10	8	5	8	9	8	9	10	6	8	8	8	7	8	11	8	8	10	6	9	3	8	7	25	21	13	28	5	8	4	2	21	42	24	39	30	14	11	13	13	12	24	23	20	5	20	21	18	24	18	28	31	51	21	21	16	25	15	17	28	36	27	15	41	11	4	8	8	5	0	0	6	11	7	4	6	8	3	6	9	12	26	2	4	16	3	4	8	3	9	7	17	18	9	9	13	11	44	56	55	24	26	28	27	20	21	27	110	72	88	56	61	51	47	60	52	24	26	21	24	11	8	47	4	4	11	7	18	1	3	9	16	11	7	9	9	6	2	3	2	2	6	3	3	4	2	5	8	2	3	3	4	5	46	34	40	68	46	53	37	42	41	60	26	11	21	24	6	3	11	5	4	4	1	10	8	8	11	10	2	10	13	28	12	12	11	19	8	7	10	17	11	14	9	12	12	20	5	11	11	3	9	28	15	20	14	13	9	21	4	1	10	11	4	54	14	20	23	22	25	23	53	54	57	27	22	61	37	58	60	50	33	3	6	5	10	21	3	7	5	12	13	5	5	8	11	21	8	7	11	3	8	4	2	0	1	5	2	36	17	17	6	3	3	5	5	4	11	5	4	7	2	5	14	4	15	1	3	3	13	1	4	16	14	3	6	2	6	3	10	6	2	1	0	9	3	4	4	15	7	2	7	7	0	1	5	2	10	6	11	4	5	13	9	10	7	11	5	7	11	4	7	3	9	3	2	6	5	27	2	7	11	15	34	6	1	9	3	5	5	5	17	9	4	15	15	12	16	4	7	6	13	25	7	5	9	7	8	5	11	10	14	11	6	12	6	2	4	18	5	5	5	3	2	7	6	13	7
+2,3,4,5,6-Pentabromotoluene	8	6	5	8	8	10	7	9	9	7	3	7	7	7	9	9	5	6	6	6	5	6	9	6	6	11	6	5	3	9	4	30	19	9	24	4	5	5	2	18	26	15	27	28	12	9	9	10	9	16	20	13	5	15	19	12	16	14	17	24	30	13	12	10	17	12	14	23	26	21	11	27	11	5	9	6	4	1	1	6	10	6	4	8	6	2	7	9	12	17	2	5	14	4	4	6	4	9	9	14	17	9	10	13	13	31	31	33	30	18	21	23	18	22	24	72	95	79	52	49	41	53	59	57	16	20	24	23	10	7	42	2	4	7	7	15	1	4	5	10	7	4	8	7	4	2	2	2	3	6	3	3	2	1	4	6	3	4	4	3	6	36	30	34	45	38	43	29	33	37	43	23	5	17	18	5	3	10	6	5	5	1	10	7	8	8	9	2	11	11	21	7	12	10	19	9	7	11	15	10	14	7	11	9	18	5	5	11	5	7	23	13	16	12	9	11	16	2	2	6	7	3	50	14	15	14	14	17	15	33	32	36	19	18	44	29	44	44	39	27	4	4	3	4	19	3	4	6	7	10	6	6	9	8	14	6	6	9	1	8	5	3	0	4	4	1	25	15	16	3	4	1	5	1	5	8	5	3	4	1	6	14	5	10	2	3	5	11	0	3	13	10	2	4	3	7	2	11	8	2	1	1	9	3	5	3	12	7	2	3	4	0	1	5	3	9	7	8	5	4	12	5	9	8	9	6	5	5	2	5	3	7	3	2	4	3	21	2	6	8	9	25	4	1	7	3	5	7	7	11	11	5	10	10	9	14	3	6	3	12	19	11	5	9	8	10	5	12	12	15	9	7	12	7	2	4	12	5	9	4	3	1	5	6	9	3
+2,3,4,5,6-Pentabromoethylbenzene	9	6	7	11	11	13	10	11	10	10	12	6	7	8	9	10	5	6	6	6	6	6	12	7	12	12	11	9	7	20	9	32	34	9	34	7	14	14	3	24	42	25	36	34	26	22	20	21	22	24	31	16	11	22	28	18	31	25	26	41	45	27	23	19	35	25	26	30	37	31	18	41	15	14	15	15	7	2	3	11	21	17	5	6	11	4	13	14	29	42	6	10	25	9	10	14	9	17	16	23	27	13	17	18	20	49	48	59	47	22	32	38	25	35	34	88	79	168	64	71	56	59	71	71	40	34	42	28	9	8	70	7	8	15	11	22	7	8	15	19	13	12	16	12	13	7	10	5	5	12	7	8	4	4	9	11	8	8	9	4	11	63	48	61	78	57	77	49	56	63	79	28	7	24	26	12	4	23	12	12	14	1	20	13	13	13	17	3	18	19	38	9	25	11	28	11	9	20	23	17	23	16	21	17	32	9	14	15	16	19	46	17	26	21	10	19	30	9	4	14	18	6	76	19	26	25	23	34	27	43	45	50	37	31	65	37	64	76	66	35	9	5	4	9	25	2	8	7	14	14	6	6	10	12	26	7	10	12	3	14	12	4	1	5	12	2	38	23	34	2	5	2	9	2	9	8	5	5	5	2	8	23	12	21	10	4	10	16	4	5	17	20	3	7	6	10	5	19	15	9	8	4	15	5	9	10	21	25	5	7	10	2	4	8	7	16	19	13	12	16	20	7	19	12	12	9	18	13	4	11	9	16	8	5	9	11	37	4	13	13	16	44	12	2	13	7	9	16	17	20	15	10	16	22	19	22	8	12	3	21	32	18	10	21	13	18	10	25	26	31	21	17	28	11	4	6	23	8	15	9	9	2	11	10	18	10
+2,3,5,6-Tetrabromo-p-xylene	7	7	8	13	13	13	12	12	11	8	7	7	7	9	10	10	5	7	7	7	6	7	13	7	10	8	7	7	5	10	6	20	20	8	22	6	11	10	3	11	22	18	25	25	17	16	15	15	16	18	20	14	7	15	16	17	23	19	20	27	26	21	20	16	23	20	19	20	25	22	15	23	9	7	11	8	2	1	1	8	12	9	4	7	8	4	9	9	17	15	3	5	17	7	7	4	3	11	10	13	18	8	11	15	11	33	33	28	26	14	18	26	13	16	25	56	52	64	72	41	34	46	48	23	22	20	20	18	7	7	43	6	9	8	10	17	6	8	9	14	9	8	15	9	10	4	9	3	3	6	7	4	3	1	11	8	4	4	5	4	8	42	33	37	41	34	38	34	40	36	45	22	6	20	19	7	2	9	7	7	7	0	14	8	9	7	6	2	10	17	29	6	20	11	24	9	8	14	18	14	17	12	16	10	18	6	9	12	5	9	19	9	19	17	5	12	12	7	3	7	10	5	40	14	18	19	18	23	19	29	26	26	23	20	26	24	30	42	34	23	8	5	3	4	14	2	2	4	8	9	5	5	8	8	16	5	10	9	1	10	8	4	0	3	9	2	28	18	21	2	4	1	10	2	9	3	4	4	5	2	7	12	8	15	7	3	5	12	4	4	11	12	2	3	5	6	5	15	13	7	9	4	10	1	5	4	14	19	6	4	7	3	4	8	6	12	16	9	9	7	11	6	17	7	10	8	12	7	3	10	6	14	4	4	5	9	23	4	9	9	13	27	8	1	7	2	5	12	11	12	13	7	8	19	13	16	3	6	4	13	23	13	7	12	8	15	5	19	20	25	14	12	22	10	4	6	13	6	9	6	4	1	9	7	11	5
+Allyl 2,4,6-tribromophenyl ether	17	8	7	9	11	13	13	8	8	11	14	11	8	10	10	10	7	9	9	10	12	8	25	10	23	33	18	32	28	49	16	66	43	13	47	19	62	24	10	21	48	30	68	42	19	16	18	18	19	28	29	33	21	37	36	21	38	25	37	47	54	30	25	21	39	26	28	35	43	36	25	49	36	39	44	36	26	12	10	31	44	40	33	27	35	27	35	45	47	37	18	13	25	16	18	31	31	42	37	50	66	26	35	43	48	41	43	44	35	23	17	28	20	30	29	61	49	71	41	168	79	44	50	69	42	42	42	30	19	16	77	29	12	29	9	30	25	30	32	32	14	29	21	10	24	14	22	6	14	19	5	14	19	17	23	34	27	23	23	13	31	71	52	62	80	68	84	54	62	85	88	36	20	33	40	15	8	21	21	14	15	8	28	21	18	18	18	4	22	24	61	17	35	15	39	10	8	26	33	19	28	23	24	20	27	10	31	40	21	41	44	29	44	30	30	29	37	42	10	12	20	22	72	25	30	29	26	34	29	58	54	58	39	31	61	42	69	78	69	42	28	23	15	21	34	7	10	18	38	23	17	15	21	16	50	10	31	15	11	13	22	10	5	10	16	11	57	30	39	13	8	7	34	21	19	23	8	10	16	12	20	45	23	36	24	13	22	23	4	12	33	16	7	18	16	7	9	47	33	32	24	20	24	6	7	16	17	29	23	14	17	13	4	8	24	30	16	27	37	17	20	26	33	9	32	27	16	28	18	23	13	29	23	22	13	32	83	15	15	21	29	37	26	7	19	13	14	23	18	28	28	26	21	46	41	30	12	16	13	26	46	34	18	34	13	30	18	27	47	56	41	40	55	14	8	9	36	36	50	43	15	8	41	31	61	51
+2-Bromoallyl(2,4,6-tribromophenyl) ether	6	3	7	3	3	5	2	5	5	6	6	9	6	4	6	5	3	3	3	3	3	3	8	4	11	21	3	11	12	21	6	48	29	7	33	8	20	12	5	10	31	19	27	39	14	14	14	15	14	15	16	18	10	25	19	13	24	18	23	25	31	18	16	14	24	16	17	24	29	23	15	30	22	18	18	17	11	5	1	7	25	25	10	8	15	10	12	17	23	26	2	3	16	8	9	20	12	18	12	23	29	7	15	21	21	28	29	36	18	9	8	12	13	16	15	51	41	56	34	79	103	38	41	42	25	33	29	22	14	12	51	12	6	14	4	16	12	12	15	14	8	11	10	5	12	8	11	5	5	8	5	8	10	7	8	15	8	7	8	4	7	47	30	36	51	40	52	45	49	51	56	20	8	21	25	6	1	14	12	8	8	1	15	11	6	9	13	1	8	8	29	10	15	4	16	2	2	7	12	5	9	6	5	9	12	5	14	16	13	21	33	16	20	16	17	20	22	19	9	10	12	13	58	9	16	19	19	20	20	35	35	36	25	20	39	33	49	53	39	30	13	12	9	11	11	1	4	6	15	12	7	7	13	10	16	5	14	9	8	6	16	6	0	4	10	5	33	18	19	3	5	4	8	10	7	9	4	8	8	7	8	20	18	15	17	10	13	8	0	5	23	10	1	11	11	3	3	22	15	17	13	8	4	5	5	7	7	17	11	4	6	7	0	1	11	18	8	6	15	9	11	11	14	7	21	14	8	15	12	5	4	6	10	13	8	14	33	8	11	13	11	20	6	1	10	6	5	11	10	20	16	11	9	24	17	19	4	8	3	8	28	14	9	12	7	12	10	17	18	21	15	17	24	10	4	5	19	11	17	14	4	4	16	14	23	19
+Pentabromobenzene	7	6	6	8	7	8	6	7	7	6	4	6	9	7	8	8	5	6	6	6	6	6	10	6	8	10	8	8	6	13	8	27	22	7	24	6	10	10	4	15	21	15	16	26	9	8	9	9	9	18	12	11	5	15	16	13	17	14	17	23	22	18	17	15	18	15	15	20	17	20	14	18	14	9	12	7	9	4	1	6	14	11	5	4	9	5	8	11	14	13	3	2	11	4	5	10	7	9	6	10	18	4	9	9	14	20	27	35	19	11	22	22	15	15	19	47	53	59	46	44	38	84	58	45	36	23	22	24	16	15	40	5	7	13	7	17	6	8	10	13	12	10	12	9	10	8	7	4	6	10	5	7	6	4	7	10	5	5	5	3	8	33	20	32	38	27	29	33	37	26	34	20	5	18	19	6	3	8	14	11	12	1	10	8	5	8	8	2	10	9	23	7	13	8	18	8	6	11	15	9	15	9	12	9	10	6	9	11	10	10	14	7	20	11	7	13	16	9	5	10	11	4	46	10	13	15	15	19	17	21	21	20	17	15	33	21	35	33	28	21	9	8	7	5	12	2	2	5	8	9	4	4	6	8	16	7	10	12	3	7	6	3	0	1	9	3	22	13	21	2	4	2	5	4	8	7	3	4	7	4	8	12	8	10	6	4	6	6	0	4	7	7	2	6	7	6	4	14	4	7	4	5	7	4	5	4	10	9	6	5	4	1	2	5	8	12	7	6	12	4	13	5	11	5	14	8	6	6	6	3	3	5	8	5	5	4	27	5	7	8	8	20	4	1	8	1	4	6	8	9	12	7	9	5	12	13	3	5	1	10	17	6	5	6	4	7	8	11	14	12	8	10	13	7	1	4	15	6	12	7	5	3	9	9	13	7
+Hexabromobenzene	9	8	7	8	7	7	7	8	8	8	2	5	7	8	8	9	5	7	8	8	6	8	11	7	9	7	6	4	3	9	5	29	17	7	19	4	6	7	2	18	20	15	23	30	7	6	7	7	6	19	17	10	2	19	15	11	14	13	15	24	21	15	15	13	15	11	12	17	19	19	13	19	9	6	7	5	4	1	1	5	10	6	2	2	4	2	7	9	12	17	2	1	9	3	3	6	3	5	4	12	11	3	6	8	10	25	31	33	26	14	23	25	17	14	20	60	59	71	48	50	41	58	109	38	26	22	25	21	8	7	45	1	4	6	6	15	1	3	5	10	7	5	7	7	5	3	3	2	3	6	4	2	2	1	4	6	3	4	4	3	6	34	23	36	45	38	34	39	41	26	41	21	8	19	22	7	2	9	9	7	8	1	6	6	6	7	10	1	11	10	23	6	10	8	18	7	5	11	14	9	14	9	12	11	10	6	5	10	6	7	21	8	15	9	7	11	14	3	3	7	8	2	49	10	13	12	12	17	14	24	21	22	15	12	42	20	43	37	38	18	5	4	3	4	15	0	2	5	5	8	6	6	5	7	12	7	6	10	1	6	4	3	0	4	6	1	21	14	17	2	3	1	3	1	6	6	4	2	3	1	4	11	4	10	3	3	5	6	1	3	10	10	2	3	4	7	3	10	4	3	2	1	7	2	5	3	10	8	3	3	5	0	2	5	3	9	7	7	7	2	12	5	7	4	9	6	9	2	3	3	1	6	4	2	4	4	28	2	6	6	7	18	2	1	7	0	3	6	7	8	8	5	8	6	9	12	4	5	1	10	15	5	3	6	4	6	5	12	11	10	7	6	10	6	1	3	11	4	7	4	3	1	5	6	8	3
+2,3,4,5,6-Pentabromobenzyl alcohol	6	6	8	7	8	7	10	7	7	10	17	7	11	5	9	7	6	7	7	7	9	5	21	7	16	32	15	23	19	33	13	36	37	16	42	8	41	12	4	25	38	21	55	25	18	14	16	14	16	16	15	20	23	31	24	17	20	15	25	41	43	18	20	14	24	15	17	25	26	24	17	38	26	31	34	30	18	8	5	20	27	26	25	21	26	20	16	29	47	30	11	8	22	12	14	25	22	26	26	27	48	21	28	28	38	28	24	40	29	19	16	20	23	15	18	52	57	71	23	69	42	45	38	195	43	31	35	22	19	16	63	18	7	23	8	24	18	17	24	27	16	19	16	13	16	13	13	3	8	20	4	12	17	16	15	27	12	12	16	4	20	46	51	38	53	41	73	36	42	60	71	26	12	31	32	9	4	18	19	14	16	4	25	15	11	14	14	1	9	18	45	17	23	11	24	8	6	19	26	14	19	14	19	23	19	6	22	34	14	26	30	20	31	17	21	16	33	30	5	8	17	20	61	16	23	22	20	26	19	45	46	49	26	18	56	33	56	58	44	31	19	18	15	18	36	5	11	13	33	14	13	13	15	14	39	7	21	13	7	11	12	4	4	6	6	7	49	14	27	11	4	5	23	14	8	17	3	6	16	9	9	31	13	26	20	7	15	17	3	7	22	11	3	8	9	5	3	38	19	20	13	10	19	7	4	6	14	16	13	9	16	5	5	9	19	21	9	24	23	14	13	20	29	7	26	15	11	25	17	15	14	20	19	14	9	25	75	8	11	16	22	36	16	3	18	8	10	6	7	21	20	26	16	32	32	29	13	17	12	20	31	14	15	19	9	21	16	16	36	40	33	33	39	8	2	4	20	25	33	29	12	6	26	21	51	41
+2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	2	2	3	6	6	6	3	2	2	2	5	1	2	4	4	3	2	2	2	2	2	2	12	1	6	22	6	14	12	24	6	27	20	4	29	5	24	9	4	12	24	12	29	10	4	4	5	6	6	3	1	15	10	17	20	8	13	11	21	19	20	11	15	10	13	11	11	22	19	22	13	17	22	20	23	18	17	11	4	18	24	15	21	21	18	13	13	27	28	17	9	3	11	7	10	20	17	21	20	27	33	15	17	27	27	11	14	19	14	11	9	13	9	11	14	24	16	40	22	42	25	36	26	43	114	24	21	11	13	9	36	9	6	21	7	8	9	13	17	14	10	17	8	10	10	5	9	3	10	17	3	12	13	14	8	23	5	5	6	1	7	27	33	18	29	29	36	18	20	38	34	19	5	18	19	6	2	11	12	6	9	5	13	11	7	7	9	2	7	8	23	9	8	6	12	3	0	8	16	2	11	6	5	8	5	2	13	20	9	13	13	14	21	9	17	10	19	21	4	5	8	9	37	11	14	13	11	15	13	24	23	23	17	13	24	26	24	20	20	26	14	12	11	10	18	2	5	9	17	8	3	3	8	8	21	5	15	8	5	7	8	5	5	4	5	5	29	12	14	6	5	5	8	12	8	11	2	5	9	8	12	22	9	13	7	11	6	8	2	8	10	12	3	10	8	3	3	25	14	10	8	14	16	4	3	3	10	10	9	6	7	3	3	5	10	12	6	15	23	8	12	16	21	2	20	11	6	22	11	6	9	11	12	11	10	8	48	6	4	10	8	14	9	3	10	5	8	6	7	11	13	22	10	19	14	13	6	8	9	15	21	11	7	20	9	11	15	16	26	25	15	27	25	3	2	4	18	15	22	18	6	7	17	12	31	25
+syn-Dechlorane plus	4	3	2	1	3	5	2	4	4	6	7	10	2	3	4	5	2	2	3	3	4	3	22	3	13	18	7	16	12	22	10	24	17	8	31	10	23	7	6	20	37	16	40	43	25	26	28	24	28	24	15	12	13	22	25	12	24	22	33	44	40	22	20	17	25	19	21	30	34	31	22	35	21	17	23	19	12	11	8	15	25	21	20	18	24	18	18	23	40	38	14	11	17	12	14	14	18	32	22	31	48	21	24	25	33	31	31	33	24	21	19	26	20	19	26	26	20	34	20	42	33	23	22	31	24	161	138	24	21	26	141	13	7	18	1	10	10	15	19	18	11	16	13	10	12	13	11	3	13	14	2	14	13	13	10	18	9	7	8	4	11	84	79	72	97	92	105	87	92	109	117	13	9	19	19	6	2	21	16	10	12	8	18	15	6	15	14	1	11	9	25	5	10	5	17	7	4	10	10	7	12	10	8	8	21	3	16	24	11	13	42	21	23	16	15	8	24	17	5	14	9	21	51	6	9	16	15	25	19	43	43	43	26	22	57	30	62	78	64	28	15	14	10	18	28	2	7	6	22	14	12	11	8	20	26	10	18	14	6	4	7	4	3	8	3	8	34	21	10	4	3	5	19	13	6	18	5	6	12	10	11	39	9	17	15	8	15	14	3	4	17	13	2	8	10	5	2	17	15	14	10	13	9	5	5	8	14	12	11	7	5	4	0	2	13	12	4	8	17	16	16	12	17	8	19	14	24	15	12	14	11	14	13	13	7	8	61	6	4	8	15	40	13	5	6	12	12	9	8	17	16	11	27	22	17	17	10	14	7	22	31	16	11	18	12	20	11	17	27	26	31	28	25	7	2	4	46	11	21	22	11	8	22	16	22	19
+anti-Dechlorane plus	1	3	1	2	5	6	2	5	5	4	6	8	2	4	5	4	3	3	3	3	4	2	19	4	11	16	6	15	11	20	8	25	21	6	30	8	21	8	5	22	30	13	31	45	27	26	28	26	29	25	17	11	12	24	21	10	24	21	33	42	33	19	18	15	25	18	19	30	33	31	19	30	17	16	21	16	11	11	6	16	21	18	21	18	26	18	19	21	38	40	15	11	18	10	13	14	16	24	21	24	37	19	25	21	30	30	22	27	22	26	20	30	25	19	26	21	24	42	20	42	29	22	25	35	21	138	162	21	21	20	147	11	6	13	3	10	9	16	16	19	11	14	11	10	9	10	11	4	9	12	2	12	12	12	9	16	9	7	8	3	10	82	83	71	93	100	103	84	91	114	124	12	11	20	20	7	3	19	17	8	10	7	17	16	10	18	18	2	10	10	30	5	12	6	14	8	6	11	10	7	12	8	8	8	22	2	13	22	9	13	43	22	19	16	15	10	25	19	5	15	8	19	43	8	11	14	13	23	18	35	34	37	25	23	43	31	48	68	53	29	15	13	9	16	26	4	7	8	18	16	11	10	9	21	21	9	18	9	6	3	8	3	2	6	5	7	34	23	12	2	5	4	16	11	7	17	4	6	10	9	11	40	9	16	15	8	17	11	5	4	18	11	4	6	11	4	3	19	15	12	12	15	8	6	4	7	19	14	14	6	6	3	1	3	11	14	6	8	19	17	16	9	17	9	19	15	20	15	10	14	11	14	15	15	7	7	50	6	5	7	14	37	15	3	5	13	14	11	9	18	16	16	26	23	18	18	12	13	7	23	34	18	13	22	12	20	14	17	31	26	34	29	26	5	2	3	40	10	22	20	10	8	19	13	22	16
+alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	2	0	2	0	0	1	0	0	0	1	4	3	6	0	1	1	0	0	0	0	3	1	7	0	4	13	7	11	5	10	5	13	13	5	14	6	12	4	5	7	14	10	13	13	13	11	14	11	13	8	6	7	0	7	9	7	14	11	12	18	15	13	12	11	15	10	11	12	11	13	10	15	18	13	15	13	14	10	1	8	26	21	10	10	12	11	8	12	16	17	7	5	9	4	7	17	16	15	12	14	24	8	19	13	18	18	16	16	11	10	9	11	8	7	14	24	23	28	18	30	22	24	21	22	11	24	21	42	39	35	41	8	7	13	2	11	6	10	11	13	11	10	9	9	7	7	8	3	9	11	2	11	10	5	8	14	3	3	3	0	4	31	23	29	30	24	34	23	25	33	33	9	4	13	10	4	2	13	10	6	7	2	10	7	4	11	8	2	8	4	16	11	9	4	13	2	0	4	6	2	7	2	4	6	11	0	12	10	7	11	11	11	17	12	11	6	19	15	5	12	11	11	21	5	11	10	10	15	13	16	16	18	17	13	22	13	21	28	22	13	11	9	9	7	13	2	4	4	9	10	1	1	10	8	10	8	10	11	3	3	11	3	2	3	4	4	22	9	7	0	3	3	4	7	2	9	2	6	10	6	9	14	12	9	9	5	7	3	0	4	9	7	2	7	7	2	0	15	3	6	9	6	4	3	1	5	6	1	8	8	1	4	1	3	8	11	2	3	13	6	14	4	13	2	14	10	8	8	9	3	4	5	7	8	5	6	26	3	3	13	6	15	5	0	5	5	9	2	1	9	14	11	9	13	10	15	6	3	4	12	14	3	6	8	5	7	6	6	13	10	15	12	12	6	0	2	16	9	9	10	2	5	8	7	15	11
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+Eugenol	6	5	9	9	11	11	5	5	4	11	24	13	8	4	8	7	6	6	7	7	7	7	22	7	17	20	16	33	24	29	21	21	21	12	22	18	37	21	12	15	21	17	16	2	14	12	13	10	13	12	8	16	11	16	19	12	19	14	18	15	17	18	16	15	19	14	14	16	17	16	11	15	30	30	24	25	19	15	5	20	25	23	23	21	25	15	16	25	30	14	9	7	19	8	12	29	28	27	21	23	37	19	23	26	28	16	12	13	11	13	12	17	14	16	13	9	5	15	9	32	15	10	5	24	17	19	16	11	13	11	28	27	14	29	9	18	25	22	45	27	21	34	23	13	25	15	22	7	18	25	8	20	26	25	25	34	22	21	19	10	25	28	20	17	23	17	32	16	20	33	35	19	7	18	16	16	6	10	20	13	14	4	25	19	5	14	14	0	7	18	32	17	30	13	26	9	8	20	28	16	24	18	19	16	12	11	32	25	19	25	23	14	31	24	18	19	32	33	6	9	24	14	22	15	15	16	13	18	14	14	16	16	19	12	18	16	19	26	23	16	20	26	20	23	19	7	9	7	26	15	11	11	10	11	32	14	27	16	12	11	15	12	6	8	10	13	30	22	18	12	7	7	16	25	11	19	6	14	22	16	11	26	17	32	21	17	3	11	0	13	16	15	6	20	17	8	11	28	18	25	18	21	21	6	10	13	14	9	15	5	19	7	0	3	27	26	7	21	30	14	16	15	26	14	35	22	8	15	23	24	17	27	23	21	13	8	29	14	17	20	22	16	25	1	3	9	10	9	8	14	11	15	15	22	33	15	6	14	7	12	23	21	14	20	8	18	9	15	23	22	23	20	24	13	4	6	21	12	25	30	19	12	34	24	38	38
+Isoeugenol	9	4	7	10	11	13	10	6	5	11	19	11	8	4	7	7	4	6	6	6	9	5	19	6	12	18	14	29	26	29	18	23	22	9	26	16	37	19	10	17	21	21	21	4	14	13	13	13	15	16	14	18	11	16	21	17	22	19	21	21	19	24	23	22	23	20	18	18	19	18	12	18	23	29	23	23	15	11	5	21	21	21	22	19	24	15	17	22	23	14	12	8	19	10	13	23	19	26	23	24	31	20	24	21	27	19	17	14	14	15	13	19	16	13	16	16	10	19	14	32	14	13	10	27	14	18	19	13	15	11	30	27	13	29	7	21	23	21	27	43	18	28	23	12	22	15	22	8	17	24	7	19	22	20	22	31	21	23	23	14	25	31	20	20	26	21	32	19	21	33	35	19	9	19	17	12	6	14	16	12	11	4	21	18	9	13	12	0	8	19	33	13	31	12	30	9	6	21	28	17	22	21	20	17	14	9	26	22	17	28	20	13	30	24	21	19	26	32	8	9	20	16	17	15	19	19	16	26	19	18	20	20	22	19	17	19	24	27	25	19	22	23	14	17	16	7	8	7	25	15	8	8	11	12	37	12	24	12	8	12	14	11	4	7	12	13	31	20	21	9	6	6	17	21	10	19	5	12	20	16	11	26	15	30	19	15	6	11	0	11	17	14	5	19	18	9	10	29	19	26	16	20	23	6	10	10	13	9	16	8	20	8	1	5	23	24	11	24	24	15	17	13	28	12	29	22	9	15	18	20	13	24	19	18	11	11	27	12	15	18	23	20	24	2	7	7	9	9	10	11	11	12	13	17	32	19	3	12	5	16	27	17	16	19	9	18	9	13	28	24	27	21	28	11	5	6	22	19	27	33	16	11	33	27	39	37
+4-Methoxybenzyl alcohol	7	7	11	8	10	10	7	6	6	10	16	10	11	6	7	7	7	7	8	8	8	7	15	7	8	10	14	23	13	16	16	15	16	11	13	14	21	8	6	14	14	15	13	1	10	10	11	8	11	12	9	10	6	9	11	10	15	12	15	14	13	14	13	12	16	11	11	15	13	15	11	11	16	18	16	16	15	13	3	11	16	15	16	14	15	7	9	12	17	11	7	4	13	6	8	20	20	14	12	13	19	13	14	14	14	15	15	12	11	11	11	14	13	11	14	11	7	13	9	14	8	12	7	16	10	11	11	11	10	11	20	14	13	22	9	10	12	11	21	18	25	21	21	12	21	13	14	7	14	18	8	17	17	18	21	22	10	9	11	9	13	20	14	12	15	12	20	12	15	21	22	13	3	11	8	9	1	7	17	13	14	3	15	13	5	12	9	0	7	11	20	15	21	9	18	10	9	16	18	13	16	15	16	14	9	11	23	16	7	14	16	7	18	13	11	8	23	18	3	4	13	8	15	8	11	15	13	15	11	12	12	13	16	12	12	15	17	18	19	15	11	19	18	18	10	2	6	7	20	10	3	3	5	7	20	12	17	12	11	6	6	10	3	3	8	12	20	13	14	6	7	5	7	15	7	14	6	9	16	11	10	15	7	19	12	9	1	8	0	9	9	9	3	13	9	10	8	16	8	10	9	8	12	5	11	7	7	4	5	6	14	2	0	1	14	11	6	12	17	10	14	13	18	9	22	13	4	15	16	16	13	16	15	12	10	4	21	6	9	16	16	13	13	1	2	9	10	6	8	7	8	9	8	15	21	12	4	9	5	13	15	8	10	10	12	10	6	6	12	12	11	11	15	9	3	4	12	5	13	17	11	9	18	13	24	22
+Methyleugenol	8	5	10	6	8	10	5	5	4	11	25	16	10	5	6	6	6	6	7	7	5	6	15	5	15	15	14	32	25	28	23	20	21	13	23	20	43	22	12	15	17	14	22	3	10	11	11	11	13	11	8	9	20	11	17	9	13	11	13	13	16	11	12	10	15	12	10	14	13	14	9	15	26	28	23	28	18	15	7	19	21	20	24	20	27	17	18	23	29	16	15	9	16	9	13	24	22	26	20	20	36	22	22	21	25	15	13	12	13	13	12	17	14	9	11	7	4	12	8	29	11	10	5	19	17	16	14	10	12	12	27	30	14	28	12	18	30	26	34	28	21	44	27	13	27	17	23	7	18	26	9	20	25	24	25	38	25	26	28	14	32	26	16	18	14	16	30	14	18	30	37	10	6	14	10	16	7	9	21	16	15	4	30	16	5	16	11	0	11	15	31	16	37	12	27	9	8	23	31	17	29	20	22	15	11	12	32	30	23	33	20	21	32	28	20	25	32	40	7	8	22	19	15	17	15	13	10	14	10	16	16	17	15	11	20	14	26	26	24	14	23	28	22	16	20	11	6	7	31	16	12	12	12	8	29	14	34	16	11	14	18	13	5	7	13	12	28	22	21	10	7	8	20	28	14	21	8	14	20	18	12	28	19	33	23	20	3	10	0	13	21	12	7	21	23	9	10	35	18	31	24	29	22	5	12	13	11	8	24	6	19	12	1	2	33	33	7	24	26	12	13	17	29	14	32	27	10	12	22	30	19	31	26	24	13	9	30	18	17	22	25	12	26	6	5	9	9	7	9	15	5	9	18	25	39	17	4	14	8	14	24	22	17	16	8	19	9	12	26	32	19	23	33	13	4	7	23	19	31	37	23	12	39	29	43	44
+Cinnamyl alcohol	10	7	13	12	14	15	12	8	7	13	18	13	9	6	10	10	8	8	9	9	7	7	16	7	9	12	15	22	15	20	16	15	12	14	17	15	28	15	8	6	15	13	13	1	8	8	8	7	9	10	10	9	6	8	11	8	12	8	11	13	14	12	10	9	13	9	8	10	10	10	6	10	21	21	18	18	12	9	3	13	16	15	15	14	18	12	15	17	22	12	9	5	14	7	10	17	15	18	16	16	25	14	15	16	15	11	10	10	8	8	7	11	9	9	9	9	8	16	15	21	10	12	7	16	8	13	11	9	10	10	19	26	13	23	8	19	20	22	23	23	21	27	29	14	24	17	23	7	14	19	9	18	17	20	22	28	16	13	15	10	16	18	15	9	15	11	19	13	16	21	20	12	4	10	8	10	2	7	15	13	14	2	18	13	4	14	5	0	6	19	25	17	24	14	23	13	12	19	22	19	20	19	19	18	10	12	25	15	15	20	14	6	22	20	14	16	22	23	7	7	17	10	11	13	12	11	9	13	8	13	13	14	13	8	13	13	14	17	14	13	19	19	15	11	14	7	7	5	15	14	2	2	8	7	25	13	20	17	7	6	15	10	4	6	9	8	19	13	17	3	4	5	18	17	10	14	6	10	14	14	10	18	16	20	17	13	3	7	0	8	9	10	5	16	17	9	10	25	12	20	20	14	14	5	8	9	5	6	15	6	12	7	0	3	23	22	9	13	16	10	11	6	25	12	21	17	6	9	14	14	11	17	14	15	9	6	16	15	15	16	16	12	18	1	2	6	6	10	8	10	3	8	8	17	25	13	1	6	2	8	18	15	7	9	7	13	3	7	15	16	10	13	18	17	4	7	13	11	20	23	11	9	26	19	28	26
+Benzyl alcohol	5	6	7	9	11	7	6	5	5	9	10	6	8	6	7	7	7	7	8	9	7	6	8	6	5	5	12	12	7	12	11	13	9	9	10	10	14	9	6	5	11	8	11	1	6	7	7	5	9	11	9	6	1	3	6	4	8	4	8	7	12	8	6	5	8	4	4	8	8	8	5	9	11	13	14	12	10	9	2	11	15	13	14	12	10	6	9	11	11	10	6	3	9	6	7	14	13	12	13	9	13	9	10	9	11	8	8	8	6	6	5	7	7	8	7	9	7	12	9	10	5	9	7	13	10	10	10	9	9	8	11	11	11	15	5	8	7	9	13	12	12	13	14	17	12	10	11	6	12	14	8	14	10	9	13	13	6	5	6	2	8	11	10	6	10	8	13	6	6	13	14	6	1	5	3	7	3	6	11	10	11	2	10	8	4	7	4	0	6	7	13	9	12	9	15	7	8	12	14	11	15	13	12	12	7	7	13	8	8	7	8	6	15	7	7	9	14	11	3	3	8	5	12	8	7	7	6	8	5	12	12	13	9	6	15	11	10	7	7	11	12	8	9	5	9	1	4	5	12	6	3	3	4	5	16	8	9	12	5	7	4	4	4	3	5	5	14	9	10	3	1	4	7	7	5	9	3	5	8	6	6	11	5	11	8	5	1	6	0	4	4	11	3	7	8	6	5	13	4	9	6	6	9	7	5	6	5	2	6	3	8	2	0	0	10	12	6	6	10	6	8	4	14	5	12	8	2	8	8	10	10	9	9	8	5	1	11	4	9	10	9	9	8	0	4	2	3	6	6	1	5	8	1	12	12	10	3	7	3	6	11	4	3	7	3	8	1	5	10	12	4	12	13	10	2	3	5	7	10	13	8	6	13	10	16	15
+Estragole	8	5	9	8	10	10	6	4	3	11	24	13	7	4	7	7	6	6	7	7	3	4	12	6	9	12	15	24	20	22	19	16	16	11	18	14	29	19	9	7	18	11	15	0	6	7	6	7	6	10	7	8	3	5	13	6	13	9	14	15	16	11	10	9	15	9	8	14	14	14	9	14	20	22	15	20	9	6	3	11	15	15	16	13	21	12	14	16	19	10	6	3	11	7	9	17	16	14	12	15	26	12	13	18	17	9	6	6	8	8	9	12	10	7	5	6	4	13	10	24	12	10	5	16	10	12	9	7	9	8	14	23	14	25	7	16	25	22	25	22	21	27	24	12	29	15	20	7	16	22	7	17	19	19	23	27	16	17	17	11	19	18	9	10	14	11	19	10	15	20	21	8	3	7	5	14	2	8	17	13	12	1	23	16	3	13	9	0	5	15	19	14	25	9	22	10	9	20	22	17	21	20	19	16	7	13	26	17	19	23	15	8	23	20	16	19	22	25	6	6	18	11	11	9	10	8	6	14	7	14	15	15	16	9	15	15	17	17	19	15	19	21	18	12	10	8	5	7	24	12	2	2	8	6	23	12	22	15	9	7	15	12	4	5	12	10	17	14	16	5	3	6	15	22	12	12	7	10	15	16	11	17	16	23	18	17	3	6	0	9	12	8	4	17	20	9	10	25	14	22	19	17	17	5	12	10	8	5	17	5	16	9	0	2	26	23	8	15	16	10	8	9	21	10	23	21	7	8	18	19	15	20	16	17	8	5	16	16	14	15	18	11	20	1	2	6	5	7	6	9	3	6	8	16	27	10	1	8	0	5	13	17	7	12	5	14	4	8	17	17	11	13	19	13	4	6	13	12	25	26	13	10	26	19	27	29
+Benzyl benzoate	2	1	4	3	4	4	4	1	1	4	12	7	3	2	1	1	1	1	1	1	2	1	8	1	6	6	9	14	9	14	14	8	10	8	8	12	20	6	7	2	5	6	12	2	5	6	8	6	8	5	4	4	6	7	9	4	2	2	3	3	3	2	2	2	2	2	2	2	2	2	1	3	12	16	12	11	11	8	7	11	14	15	13	10	15	8	13	13	15	7	7	4	9	13	13	13	12	14	11	14	16	9	11	10	15	3	4	4	2	2	2	3	3	3	3	2	2	7	4	14	8	8	3	13	5	13	10	7	7	7	14	14	7	14	3	8	10	10	15	15	13	17	17	10	15	20	19	8	10	15	6	12	10	8	13	16	9	6	10	4	12	10	5	5	6	3	12	4	4	14	14	4	5	7	5	5	0	4	16	17	16	5	13	15	1	6	5	0	6	5	14	6	13	5	10	3	2	6	7	5	6	8	5	5	4	8	18	13	11	14	10	7	12	7	9	11	15	16	3	2	7	14	5	6	5	4	4	2	2	4	3	4	3	2	6	2	13	10	7	2	9	12	11	9	9	1	5	6	14	9	8	7	4	2	14	10	15	9	6	2	5	5	1	5	4	6	14	8	11	6	3	5	11	9	5	11	4	5	13	9	9	15	6	11	9	8	2	7	0	7	11	8	2	8	10	4	6	16	12	15	9	8	7	7	5	4	1	4	6	3	5	2	0	0	10	9	5	7	8	10	7	10	13	8	13	11	2	7	10	8	6	8	7	7	6	9	14	5	6	9	7	9	5	3	3	2	4	5	4	8	4	4	10	16	19	8	0	9	2	12	13	9	7	4	4	11	3	4	10	16	8	14	17	6	2	3	12	15	20	16	10	5	16	17	19	16
+Benzyl cinnamate	6	1	6	8	9	8	6	4	3	5	19	9	3	2	2	1	1	1	1	1	2	1	13	1	8	11	10	24	16	20	12	11	13	7	20	14	32	12	8	4	10	13	15	1	15	17	19	17	18	5	5	7	10	9	10	8	7	4	6	6	7	7	7	6	7	7	4	6	7	6	3	6	19	19	16	17	11	7	7	18	19	16	18	14	18	11	20	19	25	12	12	6	11	10	12	15	14	21	19	21	25	13	14	18	21	7	6	6	6	5	5	8	6	7	7	3	2	10	9	22	11	7	3	13	9	11	11	8	11	12	16	26	14	21	7	17	18	18	22	22	14	23	23	11	20	19	36	8	12	16	8	13	14	13	19	26	13	12	13	8	15	16	12	13	11	13	21	11	13	22	26	10	11	11	6	10	1	7	19	19	19	5	21	20	3	10	10	0	5	17	24	9	23	5	22	5	4	11	16	9	12	12	11	8	11	6	26	17	13	22	14	10	18	16	15	13	19	35	7	7	14	23	9	12	11	10	10	8	7	6	6	7	7	5	9	6	14	16	12	6	18	14	14	16	15	4	6	6	18	13	10	8	7	5	21	9	18	8	5	3	11	8	0	9	8	7	27	16	17	3	5	3	21	16	6	10	4	7	13	15	14	27	12	16	19	15	10	7	1	9	13	9	3	17	17	5	8	28	26	22	17	17	7	7	5	7	6	9	15	5	6	13	0	2	18	20	10	8	16	18	9	14	25	13	23	19	7	9	18	17	11	11	12	12	8	16	21	10	11	14	11	19	12	1	2	5	6	13	8	11	8	6	16	22	31	20	0	16	7	17	22	20	13	10	12	16	5	10	21	27	26	23	26	10	4	5	15	25	33	27	10	7	24	22	33	29
+Benzyl salicylate	2	2	2	2	3	4	1	1	1	1	4	2	1	1	1	1	2	2	2	2	3	3	6	2	5	3	3	7	5	6	5	6	4	1	6	5	8	4	4	3	5	2	3	0	6	4	4	4	5	2	2	2	3	3	4	2	3	2	3	2	3	2	3	2	3	2	2	3	2	3	1	3	6	8	7	6	4	4	2	6	5	6	7	6	7	3	6	8	5	6	5	2	6	4	5	7	5	6	6	8	8	5	7	7	6	1	2	1	1	2	1	2	4	3	2	2	2	5	3	6	5	4	2	3	3	3	4	3	3	3	6	5	4	8	1	4	5	5	7	8	7	7	7	6	7	8	8	8	5	7	4	7	6	4	5	7	4	3	4	1	3	6	3	5	6	4	6	4	5	7	7	4	2	2	3	4	0	3	7	7	7	1	7	8	0	4	5	0	3	2	6	5	5	2	3	2	2	3	5	3	4	3	3	4	5	2	8	6	4	8	5	3	3	3	6	5	7	8	2	2	6	3	3	3	4	2	2	3	2	3	3	3	4	2	2	3	5	5	4	3	5	6	6	5	3	1	1	2	3	5	2	2	2	2	4	5	7	3	5	2	3	5	0	1	4	4	7	5	6	1	3	2	6	4	3	3	1	5	5	4	3	3	4	2	4	6	1	4	0	5	5	4	2	5	5	3	7	7	7	7	3	4	3	3	4	4	2	4	2	1	2	1	0	1	6	6	4	3	4	4	3	6	6	5	7	7	1	5	5	3	2	4	5	5	4	3	7	2	3	5	2	3	3	0	0	0	0	3	3	1	5	1	4	6	8	6	0	7	0	3	5	4	2	2	0	5	1	4	6	7	4	4	8	4	2	2	3	6	8	8	4	4	8	6	8	8
+Camphor	3	2	6	2	3	6	3	2	2	3	15	9	5	2	2	2	2	2	2	2	4	3	10	4	6	4	8	20	14	17	12	17	10	6	8	15	21	12	10	8	6	8	7	0	2	6	7	5	8	3	2	5	4	4	10	6	6	5	5	6	6	5	5	5	6	5	5	4	4	4	2	5	17	18	18	18	14	12	4	14	16	15	18	17	11	8	8	14	14	7	8	5	10	6	9	20	19	17	13	12	17	11	13	8	13	6	5	5	5	5	5	7	6	4	5	2	3	5	3	14	5	6	3	8	10	13	9	9	9	8	15	19	10	20	8	8	16	12	18	17	14	18	14	12	16	10	12	5	21	20	7	14	17	18	15	21	15	15	16	7	16	12	8	2	6	3	13	3	4	11	15	6	2	5	4	9	4	5	13	11	12	5	14	11	7	10	5	1	5	9	17	8	19	8	16	5	3	9	13	7	11	9	9	7	6	6	20	17	5	11	10	11	16	17	10	7	18	13	4	4	13	9	13	6	9	7	7	5	5	6	6	6	6	5	5	3	11	11	11	3	12	15	14	15	9	5	6	10	18	10	3	3	5	5	14	11	12	14	13	6	6	8	6	2	3	10	20	12	10	11	5	7	8	13	9	15	6	8	10	9	7	10	7	16	13	8	1	5	1	8	6	8	4	11	7	6	7	16	8	11	5	6	14	5	8	10	3	3	5	5	12	2	0	0	14	12	4	12	14	6	11	12	16	7	16	13	8	12	11	17	10	15	13	11	6	5	17	5	10	14	16	5	14	2	4	4	5	5	9	5	6	8	7	10	18	9	3	7	6	6	12	12	4	7	5	11	2	9	13	13	9	14	16	7	3	4	13	8	13	17	9	9	19	13	21	21
+Eucalyptol	5	5	6	3	5	8	3	3	3	8	20	11	7	5	5	4	5	5	5	5	8	6	16	7	7	9	11	28	19	22	15	21	19	10	10	18	32	13	8	11	10	12	10	0	6	8	8	8	10	5	6	9	5	6	13	9	10	6	7	8	9	10	8	7	10	6	6	8	8	8	5	8	18	22	24	20	18	14	4	19	19	17	23	20	13	8	11	19	18	12	9	5	11	6	10	24	24	19	18	17	24	11	17	11	18	8	10	7	5	7	6	8	8	8	8	6	6	12	6	19	8	10	6	20	17	14	12	11	12	10	19	26	11	28	12	12	22	18	25	24	18	26	19	14	22	15	16	7	20	33	8	22	22	21	19	31	16	16	17	9	19	18	15	7	11	7	26	8	10	25	25	12	2	8	9	11	6	8	14	10	11	3	16	12	11	14	9	3	6	12	27	13	28	13	19	8	6	13	21	10	17	10	13	13	8	9	30	24	7	18	17	15	25	23	16	7	25	22	4	6	20	12	16	11	14	12	11	10	9	9	9	9	9	7	9	8	18	19	18	8	12	20	18	18	12	5	8	12	26	13	7	7	7	9	23	11	16	18	15	10	5	10	7	2	6	12	28	19	19	10	7	9	10	17	11	18	7	10	11	13	10	13	6	24	17	9	3	10	1	11	10	11	7	11	7	7	8	24	12	11	7	7	20	9	9	10	7	9	7	8	17	2	2	4	15	13	5	19	20	11	16	20	22	9	19	18	6	17	11	21	16	23	17	13	6	6	23	5	12	14	19	10	18	3	9	7	10	13	14	5	11	15	10	13	31	14	3	6	8	17	16	16	7	15	7	16	3	13	21	23	13	23	27	7	4	6	17	10	19	27	14	11	26	21	33	32
+Coumarin	3	3	6	6	7	6	6	3	3	5	5	4	4	3	4	4	4	4	4	4	3	3	5	3	4	3	5	7	5	7	7	9	7	4	8	8	10	5	3	3	7	5	4	1	5	5	4	4	5	4	3	4	2	1	4	5	5	5	5	5	8	5	5	5	5	5	5	5	3	5	4	5	4	8	6	6	2	1	1	3	5	4	4	2	5	3	5	4	7	4	2	1	4	3	5	4	3	6	5	7	9	6	4	6	5	5	4	4	4	4	4	6	5	4	5	3	3	7	7	5	5	5	4	4	3	2	2	2	2	2	7	9	9	10	3	6	9	7	8	7	8	9	9	8	7	6	8	4	7	8	10	7	7	7	10	10	5	5	6	2	5	5	3	3	6	4	7	3	4	7	5	4	1	3	1	3	1	1	6	6	6	0	8	4	3	7	3	0	2	10	10	8	10	9	10	7	7	6	8	7	7	6	7	6	6	5	10	9	4	6	5	4	8	7	3	5	7	7	0	3	7	3	4	5	4	5	5	5	5	6	7	7	6	5	7	7	6	6	3	7	5	10	9	4	1	2	1	3	6	6	2	2	6	2	6	4	8	7	5	4	5	6	3	0	6	4	8	9	10	3	3	4	5	8	5	4	1	3	2	3	2	7	5	7	4	5	0	2	0	5	2	3	2	5	7	3	9	9	2	8	7	6	6	1	5	3	3	4	6	2	6	4	0	1	6	8	4	6	3	4	3	3	8	6	6	6	5	2	6	4	3	6	5	4	5	1	6	7	8	8	8	6	7	0	0	1	0	4	3	4	0	0	2	4	10	3	0	4	0	2	4	4	1	7	3	3	1	2	5	7	5	2	6	7	4	3	3	3	8	9	5	3	10	7	9	10
+Limonene	6	3	7	4	6	6	3	2	2	9	19	6	5	3	4	4	4	3	4	5	3	3	11	3	5	8	11	21	15	18	15	17	13	8	11	15	22	12	7	5	12	11	9	0	5	6	6	4	9	5	6	5	2	4	9	7	11	5	8	8	10	10	9	7	10	5	5	9	8	9	5	9	18	19	18	18	12	13	3	15	16	17	21	18	16	10	10	15	14	10	7	4	11	6	9	21	22	18	16	12	19	13	15	10	16	4	3	3	1	3	2	4	7	5	5	3	3	8	4	14	8	7	2	12	12	14	12	11	11	10	17	18	12	23	6	10	18	14	20	19	17	20	18	14	17	12	13	7	14	22	7	24	19	19	16	22	12	10	11	6	12	15	11	6	10	4	17	8	9	19	17	6	4	4	6	9	3	6	14	11	11	3	18	12	5	13	6	0	5	13	19	14	17	11	19	7	7	14	15	10	15	13	12	11	9	10	21	14	11	16	13	7	18	16	10	11	19	19	4	7	13	6	11	6	10	10	9	11	7	8	10	10	11	7	9	10	12	12	12	10	13	17	14	13	9	5	4	8	19	12	1	1	5	6	18	10	18	13	8	7	9	10	5	3	7	14	17	13	12	3	5	5	10	16	9	11	6	14	13	12	7	13	10	18	16	9	2	8	0	9	8	11	3	12	11	6	9	19	9	13	9	11	15	7	8	10	4	3	7	7	17	4	0	1	17	16	4	16	16	8	13	10	23	8	20	15	6	12	13	15	15	17	14	14	10	3	17	10	7	14	16	9	15	1	5	6	6	9	9	3	5	8	5	13	19	12	3	5	3	5	13	8	4	8	5	13	2	6	13	14	9	14	16	10	2	4	10	9	16	17	12	10	19	13	24	24
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+delta-Iraldeine	4	4	9	5	7	7	4	4	3	6	17	7	5	3	4	4	5	4	5	5	4	5	13	4	9	13	10	28	22	20	12	12	12	10	11	13	29	16	7	7	12	8	12	0	12	8	8	8	9	3	2	9	11	11	8	4	11	7	11	10	9	11	10	8	12	6	7	9	8	9	4	8	17	20	14	19	13	11	4	10	16	14	14	13	17	11	10	14	18	15	10	11	12	5	9	19	17	14	10	15	26	11	15	15	17	3	2	2	3	3	3	5	3	4	3	2	1	4	1	17	7	4	1	16	14	13	12	5	7	5	15	24	12	29	5	12	19	19	25	20	18	24	20	9	19	8	13	4	18	21	7	19	22	31	19	30	15	15	15	8	16	18	12	6	9	10	18	5	8	24	26	9	1	13	11	12	1	9	12	6	7	4	17	9	2	15	10	0	7	12	25	12	21	11	17	5	5	13	18	9	15	10	12	11	11	4	25	19	13	21	16	11	20	20	14	14	17	24	6	7	18	12	17	8	5	8	6	12	8	7	9	9	11	6	8	10	9	11	12	10	16	20	17	15	9	7	8	9	23	12	9	9	8	6	23	9	23	15	14	10	9	6	6	2	6	11	20	10	16	9	5	6	10	18	11	15	3	11	15	15	9	15	10	20	15	14	4	4	0	6	7	9	3	14	12	3	5	23	16	21	16	23	15	3	3	11	7	8	13	6	14	9	1	1	17	19	3	17	26	12	12	13	23	5	23	14	9	13	14	13	13	19	24	21	12	3	24	13	10	14	16	7	19	4	2	9	6	5	7	7	7	12	13	16	23	10	2	11	7	8	15	12	10	14	8	11	6	10	23	26	13	21	23	7	4	8	15	15	17	24	11	11	24	19	31	30
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+Phantolide	5	5	6	9	10	6	7	9	8	9	13	10	5	6	9	9	4	5	5	5	3	3	10	3	11	9	14	27	27	24	12	11	18	7	17	15	38	18	6	6	7	6	23	0	16	10	10	11	11	3	3	6	11	4	13	5	8	7	7	4	7	7	8	6	8	7	7	7	6	7	7	8	10	13	23	19	9	3	8	19	21	19	13	11	25	18	18	17	22	10	13	10	12	14	16	8	8	16	15	16	30	13	17	16	23	6	4	3	4	4	4	6	5	5	5	3	4	8	4	23	7	5	4	12	5	7	7	3	6	3	13	23	8	20	6	21	24	21	21	23	9	26	13	5	17	6	12	3	15	16	5	10	23	15	15	36	34	40	37	13	37	14	13	9	7	4	11	5	6	23	24	6	11	7	5	15	7	6	17	15	13	10	20	10	14	9	8	0	14	13	27	6	25	12	26	7	6	20	25	14	23	14	19	11	21	5	23	20	10	27	12	21	21	19	10	16	14	30	3	10	15	22	3	13	9	8	7	7	3	6	6	6	7	7	4	6	13	16	13	6	25	27	23	11	19	11	8	8	26	11	14	14	8	9	28	8	13	8	10	12	8	9	4	3	7	5	26	21	23	14	4	7	28	21	16	18	5	5	6	13	16	21	8	30	25	9	12	9	1	6	12	8	5	19	10	4	4	27	19	15	20	9	25	4	7	11	3	17	18	7	23	11	1	5	17	27	9	26	10	7	7	11	21	10	12	14	10	8	2	29	13	30	14	12	6	9	24	10	12	7	23	11	31	9	11	6	2	9	16	9	2	6	7	15	36	18	1	14	5	9	18	19	9	14	9	18	6	17	21	27	25	26	28	11	4	9	19	35	38	36	19	11	35	29	40	34
+Tonalide	6	4	8	8	9	7	7	11	10	16	15	12	5	9	13	14	3	4	4	4	2	3	13	5	10	7	12	26	30	27	15	15	16	8	19	19	43	20	7	5	7	10	25	0	16	11	9	10	12	3	3	6	10	5	15	9	9	8	8	5	7	9	10	9	9	8	8	8	7	8	6	8	13	15	26	21	11	4	9	21	23	22	15	12	31	23	19	18	25	8	12	9	16	16	19	9	9	17	18	18	34	15	17	16	24	6	4	3	4	4	4	6	4	6	5	3	4	9	5	23	8	5	4	16	6	8	8	3	6	3	15	28	9	20	7	26	26	24	19	23	11	28	15	6	17	10	13	4	16	17	6	11	21	15	16	36	34	37	46	13	41	10	12	7	7	4	12	6	7	30	21	6	13	7	5	18	7	6	22	18	15	12	22	16	16	9	5	0	16	10	24	7	28	12	24	6	6	19	25	15	23	14	18	14	24	6	23	22	10	29	13	26	21	20	12	17	15	33	3	11	14	23	4	16	11	12	11	10	5	7	7	8	10	9	6	7	11	13	11	7	30	29	23	13	21	11	7	9	32	13	17	17	8	9	29	6	16	8	14	12	12	8	4	3	8	6	29	23	25	16	4	7	28	24	14	19	6	6	11	13	21	22	12	34	26	11	10	12	4	12	13	7	4	18	9	5	7	32	22	19	19	10	28	3	9	10	4	20	14	10	24	13	1	4	20	27	10	27	11	7	6	15	28	12	14	16	9	10	7	27	15	30	14	13	7	10	25	11	13	8	25	10	31	9	11	9	3	12	18	7	1	5	11	19	42	15	1	15	8	16	23	19	11	16	12	19	6	21	26	32	31	31	32	12	5	10	21	37	43	40	18	9	41	35	45	42
+Traseolide	5	3	3	6	6	6	4	5	5	6	9	8	3	3	4	3	2	3	3	3	3	3	5	4	5	5	6	12	10	7	7	3	8	5	7	8	16	7	2	2	3	4	8	0	6	4	4	5	4	3	2	3	7	3	4	2	4	4	3	5	3	4	4	3	4	3	4	3	2	3	2	3	4	7	9	9	3	0	3	6	9	8	4	3	12	7	7	7	8	4	5	5	7	5	6	4	2	6	6	7	11	7	9	8	10	4	4	4	4	3	4	5	3	4	4	4	3	4	4	13	4	3	3	4	1	4	3	0	3	0	6	16	3	10	6	11	11	8	10	14	9	14	10	2	11	4	8	1	7	9	2	6	6	8	9	12	14	13	13	17	15	6	3	3	4	2	7	4	4	7	11	5	3	3	2	3	2	1	5	2	2	2	6	2	4	7	4	0	7	8	15	5	11	5	15	6	5	11	14	9	13	11	12	7	7	5	12	6	5	13	8	5	9	12	3	7	6	13	0	1	9	9	4	6	3	5	4	3	2	2	2	2	3	2	3	2	6	8	8	2	12	7	7	7	8	5	3	6	12	5	4	4	2	8	15	4	4	3	3	5	4	6	0	2	4	2	11	11	9	5	1	2	12	7	6	5	6	1	3	7	11	10	4	12	12	5	4	5	0	1	6	5	2	9	5	3	2	13	9	8	10	4	8	1	4	7	2	8	8	2	9	5	0	1	6	9	4	10	5	4	2	7	12	5	4	7	3	3	0	12	6	11	8	7	1	2	11	6	7	3	13	8	12	5	5	7	4	6	7	5	1	2	4	7	15	6	0	5	1	6	9	10	6	7	7	9	3	10	9	11	6	10	10	5	4	7	9	11	17	15	8	2	16	13	16	16
+Galaxolide	7	6	8	11	12	10	8	11	10	16	17	12	7	10	12	13	5	7	7	7	3	5	15	7	15	11	15	32	34	29	21	13	20	12	24	21	54	21	9	7	7	9	34	0	20	14	13	14	15	6	6	7	14	6	16	8	8	6	7	4	7	9	8	7	8	6	5	6	7	6	6	8	14	19	30	23	13	5	14	30	29	28	22	18	37	26	27	27	31	9	19	11	19	22	24	9	11	22	24	25	40	17	24	25	27	10	8	6	6	7	7	10	8	8	9	5	6	11	8	31	7	8	6	20	7	11	10	4	9	4	17	29	8	24	8	25	28	26	25	25	13	32	16	8	19	12	15	3	16	19	5	12	23	16	18	41	35	37	41	15	59	15	14	11	9	7	17	8	9	35	33	7	20	11	7	20	9	8	28	23	22	12	27	16	21	13	11	0	22	12	30	9	35	14	31	9	7	23	32	19	31	17	22	15	26	10	25	28	13	32	20	33	27	21	17	17	21	43	4	11	18	30	4	19	14	12	11	8	5	7	6	7	7	6	8	6	18	18	16	6	31	33	27	16	24	11	9	11	36	12	21	21	9	16	38	10	15	12	13	14	9	11	3	4	10	6	32	25	27	17	3	8	40	27	18	24	7	5	14	17	24	26	9	43	31	10	11	16	3	11	14	9	3	22	14	6	7	38	28	27	23	10	31	4	10	15	8	21	21	12	29	11	3	6	19	27	15	30	12	10	7	17	28	12	13	14	12	11	5	34	19	34	14	12	8	16	36	9	12	8	33	16	35	10	13	8	5	14	18	14	2	8	18	27	48	22	1	18	12	23	30	25	17	20	12	25	8	24	33	39	34	39	41	11	4	10	26	48	57	48	23	11	50	42	57	49
+Aldrin	12	11	9	12	13	15	10	10	9	12	18	12	9	10	11	12	10	11	13	13	10	9	34	10	21	23	15	28	16	32	15	36	33	12	54	14	47	14	9	27	57	42	51	47	53	46	49	48	47	40	27	26	25	42	33	37	56	45	52	69	67	53	49	44	60	44	46	56	65	58	42	62	24	32	28	38	23	15	13	26	36	32	20	19	23	18	21	27	42	57	16	13	34	17	20	31	28	44	34	42	59	37	36	42	45	56	64	56	37	26	31	31	25	35	45	46	36	63	42	71	47	33	34	46	27	84	82	31	36	28	137	27	9	30	12	31	17	23	28	31	20	26	18	11	18	10	16	6	12	18	5	15	18	18	15	29	18	14	10	6	15	166	72	95	125	114	120	103	111	132	144	48	28	33	49	8	7	38	25	23	22	4	24	18	15	32	22	4	17	20	62	20	30	16	31	10	8	22	30	18	26	21	21	21	49	6	26	45	19	34	73	37	43	37	25	26	50	38	12	24	19	29	44	25	35	47	44	61	49	64	65	68	58	49	69	62	96	108	96	58	18	20	20	24	29	7	12	16	46	26	18	18	23	33	38	10	22	17	14	12	22	7	7	8	17	9	77	36	34	11	9	11	31	24	12	21	5	13	21	12	18	47	24	36	19	9	21	26	5	14	42	18	6	16	13	6	6	43	34	28	26	10	27	5	7	14	19	29	19	20	17	6	4	9	14	15	16	26	21	29	26	28	37	9	28	26	35	30	21	22	19	31	15	15	14	27	70	4	13	21	28	68	30	7	15	27	30	22	28	31	27	16	37	44	40	52	10	24	15	60	58	36	35	44	26	31	21	40	48	51	55	31	53	13	3	4	69	18	48	33	9	8	37	21	50	41
+Endosulfan	3	2	4	10	9	9	9	4	3	4	7	2	4	3	4	3	1	2	2	2	4	4	19	3	13	25	8	22	13	36	6	29	27	8	32	4	39	14	5	32	24	17	29	39	38	38	42	41	40	23	21	17	15	20	19	15	19	13	23	32	30	20	17	12	23	12	14	25	26	26	17	22	22	23	44	17	15	11	5	39	25	21	40	22	36	28	37	49	55	40	24	13	29	13	18	17	21	40	33	48	54	31	40	42	50	30	28	25	27	39	26	34	35	16	22	34	30	48	33	52	30	20	23	51	33	79	83	23	29	24	116	17	8	20	8	15	10	19	20	20	14	16	15	10	9	5	12	3	8	15	3	11	15	12	12	24	14	13	12	3	14	72	156	76	93	108	105	76	84	122	114	25	9	26	23	10	4	22	14	9	10	11	28	18	16	20	10	4	8	14	36	12	18	12	24	7	3	14	21	10	15	9	14	9	30	3	19	30	7	16	46	28	32	22	26	12	35	27	7	24	18	21	40	14	22	24	23	27	21	32	32	34	25	19	37	31	58	84	64	28	33	16	14	19	25	1	8	14	28	18	15	15	9	20	26	8	28	14	10	10	6	3	5	7	12	3	50	17	17	10	10	8	24	12	11	20	2	5	17	8	17	51	7	26	19	13	12	14	3	7	18	24	4	11	10	3	2	41	30	23	20	22	22	4	1	6	14	24	19	11	13	8	6	9	19	20	7	21	28	30	17	24	36	4	24	16	14	30	18	18	13	20	20	19	11	11	36	9	10	17	16	44	22	9	10	15	16	17	12	18	19	22	30	41	33	21	10	19	15	31	33	19	22	45	30	28	18	26	50	59	47	54	57	5	6	11	53	34	53	36	8	9	33	22	68	46
+Heptachlor	6	7	6	8	7	6	5	7	7	7	6	11	7	9	6	9	6	7	8	8	10	10	21	8	13	20	9	24	8	25	7	31	22	9	49	10	21	7	3	30	46	31	48	54	33	24	26	25	24	35	29	33	19	34	34	27	48	36	52	55	58	42	39	33	52	36	36	55	60	57	36	56	29	20	17	17	11	8	2	12	29	26	9	10	14	12	12	17	28	48	10	8	18	4	7	26	13	18	18	24	38	13	23	30	27	51	57	50	49	41	32	46	30	34	42	40	34	61	37	62	36	32	36	38	18	72	71	29	25	20	112	13	5	19	8	22	11	10	17	20	12	18	9	6	10	5	13	5	2	7	3	6	11	6	17	19	6	9	7	3	11	95	76	135	116	101	109	109	118	97	114	46	23	41	38	7	4	24	10	6	9	3	10	5	13	19	15	3	17	13	37	17	24	9	23	6	6	11	22	8	15	6	10	12	35	4	20	29	8	20	54	32	35	24	17	12	30	21	7	23	12	20	36	19	29	32	30	49	40	56	59	66	52	42	68	58	87	98	88	56	9	13	12	23	26	5	9	10	23	21	6	6	17	26	25	8	17	16	9	10	18	4	2	5	16	6	61	28	27	10	7	8	12	16	10	17	3	6	9	6	11	32	19	21	13	2	13	21	3	5	45	13	3	9	5	3	1	27	18	15	13	8	15	5	2	10	28	14	11	11	11	4	3	7	8	14	10	16	14	23	15	15	29	4	21	19	29	23	11	17	11	19	11	10	12	26	60	5	12	21	22	50	12	6	12	10	16	7	11	22	21	15	27	35	23	31	12	11	10	33	38	18	23	22	16	13	14	26	31	30	28	15	26	5	2	5	45	15	24	19	6	4	23	16	27	19
+cis-Heptachlor epoxide	6	6	5	11	11	12	9	8	7	7	9	12	9	10	8	8	5	6	7	7	7	6	21	5	13	16	11	18	9	25	12	39	29	12	63	13	22	6	2	38	63	40	62	62	43	39	44	44	43	46	42	41	29	44	42	33	60	46	64	84	71	50	47	41	65	44	46	63	67	66	43	66	28	22	18	35	15	11	8	10	28	25	9	10	15	11	10	16	30	57	8	7	27	10	12	29	18	31	26	38	44	23	30	27	30	54	69	67	49	43	41	47	36	38	47	68	45	78	41	80	51	38	45	53	29	97	93	30	28	21	139	12	7	21	11	24	10	10	23	26	15	14	15	10	14	6	11	6	6	11	6	10	9	9	13	16	6	7	7	4	9	125	93	116	193	117	144	119	130	144	155	52	30	40	45	7	6	33	13	11	10	1	13	10	12	27	21	3	14	18	53	23	26	14	23	10	7	14	24	11	17	11	13	10	44	7	23	42	12	30	70	36	35	27	18	15	53	23	5	21	18	22	63	22	34	42	38	57	47	70	71	77	64	52	90	70	108	102	97	67	8	11	13	28	26	8	10	16	27	31	11	12	19	32	25	10	19	15	13	12	17	1	6	4	17	8	85	38	34	10	4	8	11	21	10	11	4	7	10	8	14	32	17	27	13	8	19	27	4	7	46	22	4	15	6	2	3	35	20	17	13	6	14	5	2	11	24	26	10	13	11	4	2	7	9	13	13	18	15	28	25	25	24	9	26	16	44	27	11	17	17	22	11	10	15	33	62	7	14	21	24	63	19	5	21	18	23	14	22	41	26	16	28	38	28	45	8	15	10	43	58	33	25	31	21	17	14	38	37	30	55	16	28	7	4	7	56	8	24	13	8	4	15	12	29	20
+Endosulfan sulphate	6	3	3	8	8	10	8	7	7	4	8	7	5	6	5	5	2	3	3	3	8	7	23	6	15	16	7	14	8	31	6	27	22	7	49	8	23	7	3	38	54	27	50	61	45	31	34	33	31	38	32	30	15	35	34	23	49	39	55	64	67	40	35	31	54	40	39	55	63	58	40	60	33	37	14	30	15	13	10	10	38	34	8	9	14	11	9	12	30	47	4	9	21	17	20	32	33	32	25	36	47	24	28	32	35	48	52	47	46	43	42	46	37	33	43	46	38	57	34	68	40	27	38	41	29	92	100	24	21	18	128	7	7	17	9	14	6	10	17	21	12	16	11	8	11	3	13	4	3	7	4	4	8	10	10	15	3	4	4	2	7	114	108	101	117	167	135	104	113	123	136	41	16	35	37	6	3	28	15	13	12	2	11	12	9	23	17	3	13	16	38	16	18	7	20	8	5	11	19	9	13	9	11	7	34	2	17	32	8	20	65	26	30	19	30	15	44	20	8	18	17	22	48	21	26	31	27	46	40	65	68	74	56	45	74	64	86	100	90	60	11	11	8	20	21	1	8	9	19	18	8	8	24	22	28	7	15	13	8	7	24	4	2	6	11	5	60	29	16	6	5	4	11	9	4	13	2	4	10	7	11	30	24	20	12	10	25	19	2	5	27	26	6	9	9	5	4	26	26	21	15	8	10	3	3	9	27	18	17	10	6	7	2	7	9	17	13	12	18	30	16	14	23	8	23	17	29	23	26	13	11	14	11	11	8	24	50	2	12	15	20	55	14	3	15	16	21	6	13	31	20	10	34	43	23	34	10	15	5	34	48	30	22	31	20	13	14	29	33	28	40	15	26	5	2	3	38	6	21	15	5	7	16	9	21	15
+Endrin ketone	7	8	8	12	13	14	9	11	9	11	15	13	10	7	10	10	6	7	8	8	7	7	26	10	18	34	14	28	18	42	12	45	45	12	66	18	50	11	5	38	72	39	78	44	56	52	55	54	55	44	33	47	36	52	43	31	57	43	65	85	81	50	45	36	63	41	45	60	68	65	42	75	41	44	36	49	30	16	17	32	43	41	34	30	35	29	35	38	55	63	21	18	36	15	15	39	33	53	47	54	83	43	48	45	62	59	82	74	59	41	44	50	40	37	49	53	43	77	38	84	52	29	34	73	36	105	103	34	31	31	163	28	11	33	13	32	23	26	32	32	20	30	19	13	19	12	21	6	13	26	7	17	19	18	21	35	14	11	12	7	17	120	105	109	144	135	234	121	130	195	189	61	25	47	53	9	8	36	28	18	20	5	27	19	22	27	25	5	20	24	70	21	35	21	37	12	10	22	31	16	25	21	20	20	54	4	31	52	21	42	80	38	48	37	28	23	58	45	10	23	28	46	50	26	33	42	38	61	46	83	83	89	62	48	104	75	113	126	105	70	27	26	21	38	39	7	16	18	47	32	17	17	28	39	45	10	31	17	13	12	27	9	4	11	21	11	95	48	36	9	9	9	38	25	18	22	8	9	18	15	22	68	29	37	29	19	27	33	7	11	55	33	8	19	22	4	6	55	40	29	35	22	22	7	3	16	37	37	28	14	16	12	4	9	22	32	18	25	36	46	25	28	48	12	37	31	39	40	29	24	26	22	24	23	17	36	86	10	17	24	32	83	25	9	22	29	30	23	27	44	37	29	46	56	56	59	18	19	14	52	65	41	37	46	28	39	28	46	70	60	71	41	63	14	5	8	71	22	55	33	15	7	33	26	55	44
+trans-Chlordane	5	4	5	5	5	9	6	8	7	6	9	11	5	7	7	7	5	4	5	5	7	7	20	5	9	15	9	15	5	20	8	23	20	8	52	7	14	5	2	29	43	30	40	54	34	29	31	31	28	30	29	30	14	36	32	26	46	33	49	56	52	42	37	31	49	32	33	50	59	53	31	46	26	20	14	22	9	7	5	9	29	26	8	7	11	9	7	12	25	45	7	8	24	10	13	27	16	22	19	28	36	16	24	26	22	50	58	46	36	39	34	40	26	29	38	37	29	49	34	54	45	33	39	36	18	87	84	23	20	18	115	8	5	18	8	13	7	7	16	19	12	14	13	6	10	4	11	4	3	8	3	8	5	5	15	14	4	5	6	4	8	103	76	109	119	104	121	140	138	99	121	46	14	39	37	6	3	27	11	7	8	2	9	5	8	17	14	2	10	17	37	18	21	11	21	8	7	12	20	11	15	9	13	10	28	5	17	28	7	21	53	23	30	24	17	9	40	16	4	17	12	18	44	16	24	33	28	49	35	52	51	52	46	37	65	54	86	96	78	50	6	7	7	21	19	3	7	10	21	22	4	4	18	27	24	7	14	11	5	7	18	4	3	7	14	5	58	29	19	6	5	5	11	6	10	12	2	4	9	3	7	32	18	19	12	4	17	22	2	6	37	14	1	9	6	3	2	21	16	9	10	4	11	5	3	9	24	17	9	9	10	3	2	7	6	12	14	14	13	26	12	10	25	5	16	10	29	19	13	15	14	12	5	5	10	24	54	4	11	15	19	48	14	2	15	11	17	8	9	24	22	14	22	35	17	32	11	10	9	28	39	17	21	20	15	9	11	25	28	25	27	11	20	8	2	5	39	7	17	8	6	2	11	7	17	13
+cis-Chlordane	6	7	6	7	8	11	8	9	8	7	9	12	6	8	8	9	7	7	8	8	8	9	24	8	10	18	12	21	8	26	9	27	22	9	59	9	17	9	4	31	50	34	48	57	37	31	33	33	30	34	33	34	17	40	36	30	48	35	55	61	57	44	39	33	51	34	35	54	64	57	35	52	27	24	16	26	11	9	6	13	30	26	10	9	15	13	13	18	30	47	9	10	26	11	14	30	20	23	26	29	43	20	28	28	27	57	64	51	39	40	37	43	31	33	40	42	33	56	40	62	49	37	41	42	20	92	91	25	22	19	128	11	8	19	11	16	8	10	20	21	15	18	16	6	15	4	13	5	4	10	4	9	7	8	18	16	5	6	7	4	9	111	84	118	130	113	130	138	158	113	134	48	15	41	41	7	4	30	17	10	11	2	11	8	10	21	17	2	12	19	41	19	27	13	25	9	9	13	22	12	16	10	14	14	35	6	21	32	8	24	59	29	34	28	21	12	47	19	6	19	14	22	48	21	30	38	33	51	37	57	56	60	49	40	75	60	95	108	88	55	9	11	10	25	19	4	8	12	23	26	7	7	21	30	27	8	19	14	8	8	18	5	3	8	19	8	65	33	24	7	6	7	12	9	11	16	4	6	10	7	8	36	18	22	14	5	20	24	3	9	40	16	3	10	7	4	2	26	21	11	14	7	14	7	4	12	27	19	13	10	12	3	3	8	7	16	15	17	15	29	14	14	29	7	23	13	32	23	15	17	17	16	9	9	12	27	58	5	14	18	21	52	16	2	14	11	18	12	12	27	23	17	27	41	20	37	12	11	9	30	45	22	23	24	17	12	15	29	34	28	32	16	22	9	3	5	41	8	20	13	7	6	15	10	22	16
+Endrin aldehyde	8	7	10	13	14	11	9	11	10	13	23	11	10	9	10	11	8	8	9	11	9	8	37	11	28	36	12	38	29	63	16	36	37	14	62	21	87	20	11	41	57	38	58	33	64	59	63	59	62	42	28	42	35	47	45	31	59	45	58	74	68	49	46	38	64	43	45	58	63	61	41	62	32	43	54	33	29	17	20	54	32	27	46	28	50	47	49	62	82	65	30	22	43	24	26	27	32	59	55	57	87	47	60	62	78	53	45	40	35	39	32	44	42	36	43	41	37	63	36	85	51	26	26	60	38	109	114	33	41	34	178	35	13	28	15	26	24	33	33	33	21	30	21	13	20	14	22	7	11	25	7	19	24	24	21	44	28	23	30	7	35	132	122	97	144	123	195	99	113	279	206	54	16	44	48	16	9	40	45	34	33	16	44	33	34	39	25	5	23	26	67	21	31	19	31	12	9	21	27	16	23	21	20	23	62	11	30	60	22	48	93	56	53	46	42	27	55	75	12	36	32	51	52	19	30	41	38	60	47	67	68	72	62	50	70	69	100	131	106	64	48	31	26	42	46	9	9	22	55	29	34	33	24	38	47	12	43	20	19	14	19	10	6	10	20	10	92	38	36	13	12	11	55	27	22	34	3	10	24	15	33	85	20	46	39	24	26	30	9	13	47	32	9	22	25	2	11	67	55	42	49	30	37	7	4	14	34	47	37	20	29	18	6	12	31	43	18	40	43	54	32	44	67	13	41	36	41	49	31	37	26	37	26	27	19	34	90	18	18	29	36	82	37	13	14	33	36	33	34	47	33	37	51	70	91	49	19	37	26	66	71	43	39	61	38	49	31	47	92	92	97	80	102	15	6	10	81	68	111	81	15	10	69	48	112	91
+Endrin	8	7	9	13	15	14	9	11	10	11	16	14	8	9	8	10	4	6	7	7	8	9	32	10	26	28	14	35	23	52	14	43	44	13	68	19	78	13	8	39	73	40	67	61	62	48	51	50	51	49	37	45	42	60	44	33	56	43	69	84	85	52	47	37	60	43	44	67	78	72	46	77	38	48	30	44	28	17	11	33	48	44	31	27	35	25	29	33	62	73	24	17	35	23	25	37	38	48	42	53	79	39	46	47	60	61	75	67	59	43	42	62	40	37	46	60	43	79	45	88	56	34	41	71	34	117	124	33	36	30	182	35	11	35	13	35	28	32	35	35	22	37	20	14	21	14	26	7	15	25	5	17	25	26	21	43	23	24	21	11	33	144	114	114	155	136	189	121	134	206	247	57	31	56	58	11	8	40	24	21	24	9	25	17	20	32	30	4	26	28	83	19	35	21	39	12	10	20	30	17	25	19	21	21	58	4	33	62	27	48	92	54	50	38	39	30	64	54	11	28	27	45	55	24	32	43	39	62	47	84	87	91	60	48	92	76	120	121	114	72	29	28	23	37	41	9	16	24	48	32	26	24	29	41	50	12	27	21	18	15	25	11	6	9	18	13	93	44	43	14	9	10	42	28	16	31	5	12	17	17	26	65	27	38	31	18	29	32	7	12	59	37	9	24	16	4	7	67	60	41	31	22	21	7	4	17	35	38	27	23	15	13	3	8	16	28	21	26	36	46	30	35	51	13	38	30	43	41	30	31	28	29	26	24	17	47	83	8	20	27	32	81	28	10	17	25	26	25	26	49	36	29	52	67	59	64	18	27	16	58	75	42	42	55	32	34	30	47	68	63	68	40	67	11	6	7	81	26	57	59	19	11	54	37	78	63
+4,4'-Dichlorodiphenyldichloroethylene	7	10	7	13	13	12	10	13	11	9	8	9	10	8	10	8	6	9	10	10	10	11	16	11	11	15	11	16	8	20	6	21	26	10	30	10	15	6	2	20	26	32	23	11	19	15	16	17	17	17	14	50	20	37	16	29	35	28	30	24	26	33	33	29	37	30	29	31	39	32	22	23	13	19	13	16	12	6	4	15	10	10	11	9	10	9	12	14	18	28	5	9	22	8	9	14	16	19	16	19	29	15	17	21	20	28	30	25	22	23	18	18	19	20	22	26	23	28	22	36	20	20	21	26	19	13	12	9	8	5	31	6	7	13	11	15	6	9	19	19	13	10	12	6	8	4	10	4	6	12	4	6	9	9	13	15	7	6	6	5	7	48	25	46	52	41	61	46	48	54	57	67	18	31	40	4	6	15	10	9	9	5	13	9	8	13	12	2	12	19	33	15	21	14	20	7	6	17	23	13	21	13	16	14	25	6	18	20	6	15	19	23	23	15	12	13	26	15	6	7	15	17	19	21	25	32	29	38	33	25	25	25	36	31	21	35	38	41	43	33	6	12	9	14	20	5	3	11	24	16	15	14	10	15	24	5	14	14	7	9	10	5	4	4	7	7	40	24	23	8	6	4	14	11	8	11	5	5	10	4	8	29	11	24	9	9	13	15	1	7	22	17	5	6	6	5	5	23	20	13	11	7	14	2	5	7	19	16	8	9	7	1	2	5	5	15	9	12	17	17	10	17	18	8	20	17	23	20	13	16	6	17	9	7	7	14	34	4	14	11	21	35	12	2	12	13	15	10	11	19	14	16	22	20	23	29	6	13	6	25	33	13	21	22	13	15	11	19	23	24	22	18	23	5	1	4	22	10	24	12	6	0	14	11	29	24
+Methoxychlor	6	2	1	8	9	5	6	4	4	10	4	4	4	8	6	8	3	3	5	6	8	5	13	5	11	8	12	9	5	18	12	9	18	6	19	11	28	1	2	8	12	15	22	0	8	3	3	6	3	6	5	7	14	24	13	10	12	10	8	14	11	14	14	10	13	9	10	8	11	8	6	12	8	14	13	9	9	3	10	20	15	16	15	15	20	16	17	20	21	17	15	3	6	13	12	7	8	17	18	16	23	15	16	20	23	10	16	15	13	11	12	11	9	10	10	11	5	7	6	20	8	5	8	12	5	9	11	4	2	2	19	6	3	7	0	18	5	5	7	9	3	6	4	1	3	5	11	2	2	2	1	4	4	1	4	7	12	11	13	3	20	28	9	23	30	16	25	14	15	16	31	18	41	19	23	7	1	5	15	15	13	5	10	11	11	5	4	0	11	11	28	5	10	9	12	4	4	11	14	8	15	10	11	12	9	8	6	23	8	10	10	21	9	3	16	10	7	10	0	5	6	11	0	9	16	15	13	15	11	9	10	11	12	10	11	10	23	27	21	8	6	7	5	7	17	7	4	3	20	6	18	18	10	5	21	4	7	5	8	7	5	2	1	4	9	1	21	14	18	5	2	6	21	11	5	12	1	3	2	4	10	17	5	21	9	3	10	7	5	5	16	7	0	11	4	4	5	16	13	17	6	4	10	0	4	7	15	13	6	4	12	5	1	3	3	5	8	11	7	13	5	18	11	4	6	12	11	12	3	16	13	14	3	3	6	16	29	4	3	7	13	17	14	9	11	4	6	11	11	14	2	5	12	21	14	19	1	9	3	12	19	15	12	12	4	16	8	15	17	20	21	19	22	2	0	2	17	24	31	23	15	1	22	18	29	21
+4,4'-Dichlorodiphenyldichloroethane	0	3	1	14	15	11	9	11	9	7	15	9	5	2	8	5	1	2	3	3	6	5	11	4	8	16	9	14	10	15	9	17	25	12	27	5	20	5	3	10	13	20	17	15	16	15	16	15	17	7	6	29	38	47	10	18	21	20	19	22	13	24	22	19	23	18	18	17	24	16	14	11	13	15	18	27	12	10	9	16	18	17	13	12	17	9	12	17	24	17	10	9	16	9	10	13	13	21	17	21	29	19	22	20	26	11	15	10	18	13	12	11	9	10	11	21	17	24	20	33	21	18	19	31	18	19	20	13	9	7	40	9	7	11	6	16	6	10	18	19	11	14	10	5	7	7	11	2	5	8	3	4	10	13	11	19	8	7	7	3	11	33	26	41	40	35	47	39	41	44	56	31	19	60	50	4	2	12	12	9	9	5	16	5	8	11	13	2	12	20	34	7	18	13	18	5	4	13	17	11	16	11	14	10	17	1	16	25	8	16	5	11	21	10	14	10	26	18	7	2	15	18	14	14	17	20	19	27	23	13	15	13	19	16	12	17	31	41	35	15	13	15	7	15	19	6	5	7	20	9	16	15	10	10	21	5	19	15	4	9	9	4	1	7	5	5	40	15	19	7	5	3	20	11	6	11	1	5	12	8	10	32	9	19	11	8	9	11	0	5	10	14	3	6	5	1	1	22	24	11	11	15	8	2	3	5	15	12	10	7	6	2	2	6	6	12	9	11	15	19	10	16	20	8	17	13	15	17	10	10	7	12	12	11	10	19	41	3	9	10	16	29	9	3	12	12	18	8	8	26	16	16	26	22	16	24	4	18	13	23	31	20	24	27	14	17	16	14	28	30	25	33	28	6	2	5	24	12	24	17	8	4	18	12	23	19
+4,4'-Dichlorodiphenyltrichloroethane	4	5	3	12	12	10	8	12	10	11	12	10	5	5	11	9	3	4	5	5	8	9	14	7	14	14	10	13	7	17	6	16	21	13	24	4	16	3	1	10	11	18	19	14	16	15	17	15	18	8	7	38	38	59	21	16	17	13	11	35	15	20	19	17	19	13	14	11	15	11	6	12	10	15	16	23	14	8	8	14	17	16	12	10	16	14	11	14	21	26	7	9	15	6	7	14	12	20	15	21	30	19	20	21	26	15	19	17	21	13	12	13	15	9	13	24	18	26	19	40	25	19	22	32	19	19	20	10	8	6	41	4	5	11	8	15	3	6	16	17	8	10	8	3	5	5	6	3	4	9	1	6	9	11	7	17	5	5	5	2	7	49	23	38	45	37	53	37	41	48	58	40	23	50	68	3	4	14	11	7	6	4	11	6	7	12	16	2	7	19	35	12	15	11	14	3	2	13	18	9	16	10	12	14	19	3	13	27	8	14	19	12	24	12	12	10	25	14	5	4	17	18	15	13	16	18	16	21	17	12	11	11	14	12	20	11	39	49	37	10	7	14	7	17	20	4	5	9	22	11	14	14	12	16	22	4	15	16	4	9	7	3	2	5	3	6	39	18	17	8	6	3	17	11	4	12	2	5	11	5	6	29	8	22	9	6	10	13	1	6	12	13	4	6	5	1	3	21	18	11	8	12	8	1	3	4	15	13	7	8	6	1	2	5	4	10	9	10	12	13	8	17	15	7	16	14	13	19	12	15	8	14	9	8	6	15	37	3	12	8	22	34	12	2	16	14	19	5	8	25	17	15	33	16	11	21	6	15	13	23	29	18	23	25	13	13	14	16	27	25	30	28	25	2	0	3	28	9	25	15	5	1	13	11	24	20
+Tris(4-tert-butylphenyl) phosphate	4	4	2	4	5	6	5	4	3	7	14	8	6	4	2	3	3	4	4	4	2	3	9	2	10	8	10	17	18	16	10	9	9	3	14	10	26	14	7	5	6	4	12	0	5	2	1	1	3	3	3	4	3	3	8	4	4	3	6	6	7	3	4	2	4	3	3	8	4	8	5	7	10	12	10	10	9	6	8	15	13	13	15	16	17	14	15	15	19	5	11	5	4	8	8	9	9	15	13	13	19	10	15	14	17	2	3	2	3	4	3	3	8	5	3	6	5	12	7	15	6	6	7	9	6	6	7	4	5	4	12	13	6	15	3	9	14	11	16	12	9	16	10	7	14	5	10	4	9	11	3	9	14	12	13	20	17	15	18	3	20	8	10	7	7	6	9	6	7	16	11	4	7	4	3	36	2	5	18	15	14	5	24	14	3	2	6	0	7	4	17	6	12	4	10	4	4	13	13	10	14	8	12	7	5	6	17	16	10	9	4	15	14	10	9	9	11	16	2	4	11	8	7	7	7	4	4	5	3	4	6	7	5	3	8	7	8	12	9	6	13	14	11	9	8	4	0	2	15	4	10	10	3	7	15	6	13	7	10	6	8	8	1	2	4	8	11	9	10	5	2	3	20	13	4	12	2	7	7	11	7	14	8	15	8	9	5	6	3	5	6	5	2	10	8	6	4	13	11	11	9	9	11	3	7	7	5	6	7	0	10	6	0	1	12	13	8	14	13	8	10	7	11	6	13	8	8	8	7	13	9	12	12	12	4	8	19	7	4	6	8	8	11	5	5	3	2	5	4	6	1	6	6	15	21	8	0	8	5	6	11	10	6	6	0	12	7	6	15	21	11	22	24	6	2	5	10	18	21	26	17	9	25	20	30	27
+Tri-n-butyl-phosphate	2	3	0	1	2	3	2	3	3	2	1	2	1	3	3	2	1	3	3	3	3	3	5	4	2	2	3	6	7	7	3	2	6	1	5	4	9	3	1	1	2	3	3	0	6	5	5	5	5	2	0	5	4	3	4	3	4	2	2	4	1	3	3	3	4	2	3	3	3	3	2	1	4	5	5	4	4	2	1	6	4	4	5	4	2	2	4	4	4	3	2	3	9	2	2	5	5	5	5	7	5	3	7	5	4	5	3	2	1	1	2	2	1	4	3	3	3	4	2	8	1	3	2	4	2	2	3	2	3	2	7	5	2	5	3	3	7	8	6	6	1	7	2	3	2	0	1	0	4	6	1	3	8	1	4	8	7	7	7	2	9	7	4	4	6	3	8	3	4	9	8	6	1	2	4	2	10	5	1	2	2	3	6	1	9	5	4	3	1	3	7	2	7	4	4	3	2	3	3	2	5	3	3	5	9	1	6	5	1	3	5	5	6	4	5	3	8	4	1	8	3	4	3	7	5	4	4	3	4	3	2	2	4	4	3	4	4	6	4	4	3	6	7	4	5	6	2	5	8	3	5	5	4	2	4	2	5	4	3	1	1	3	5	1	5	3	8	7	7	2	2	3	8	5	5	5	2	3	0	1	2	6	1	10	3	0	3	1	1	2	0	2	1	2	1	1	1	3	7	5	2	0	9	1	1	5	1	8	3	2	7	0	0	1	3	3	4	9	2	5	4	5	7	0	3	1	1	6	1	8	4	9	2	1	2	4	4	0	2	2	7	5	6	1	3	2	1	7	7	5	5	5	3	4	10	3	1	3	4	6	4	5	4	5	4	7	5	8	8	6	6	7	8	2	0	1	6	7	8	10	3	3	9	9	10	10
+Tris(1,3-dichloro-2-propyl)phosphate	2	3	4	3	3	5	2	3	2	5	8	1	0	3	3	2	2	3	3	3	1	2	11	2	8	6	6	9	10	13	4	14	9	2	18	4	11	8	2	11	10	8	11	6	19	13	16	13	14	5	3	15	12	13	13	6	10	5	8	26	11	11	9	6	13	7	7	10	14	13	8	8	11	13	8	13	10	9	6	10	17	15	7	5	9	5	7	9	19	19	9	11	15	10	9	11	14	22	16	22	27	16	22	19	20	17	17	18	11	9	9	15	7	15	16	11	10	23	9	21	14	8	9	18	11	21	19	13	13	10	36	11	4	9	3	9	7	8	10	14	7	9	7	6	8	4	7	3	5	8	1	6	6	9	4	8	5	6	6	1	8	38	22	24	33	28	36	27	30	40	40	15	5	12	14	5	5	52	11	11	10	3	7	9	5	14	17	1	5	6	17	2	11	4	11	3	2	8	7	6	10	8	7	10	19	3	10	15	8	8	26	13	16	12	8	6	21	10	8	6	10	10	8	9	13	8	8	13	11	9	10	9	11	7	15	15	24	37	25	13	3	8	6	8	15	1	6	7	14	9	2	3	5	13	14	5	6	6	6	5	9	4	4	6	9	2	24	13	14	3	3	4	4	9	4	3	4	3	5	6	7	19	10	14	7	3	10	8	0	3	11	8	1	4	5	4	0	7	10	7	8	3	8	3	4	3	8	10	5	6	5	0	0	0	3	12	10	6	8	16	9	5	8	4	12	7	12	14	10	10	7	12	7	5	8	11	23	0	3	6	11	28	9	2	4	13	14	7	8	17	14	10	20	19	14	17	4	8	3	14	19	10	14	18	14	12	12	10	16	10	22	11	12	4	0	0	25	7	8	10	7	3	9	6	15	13
+Tri-o-cresyl phosphate	7	4	8	11	12	8	8	6	5	11	17	10	9	8	5	7	3	4	4	4	5	5	15	5	12	12	15	18	20	37	21	15	21	15	25	20	48	13	10	11	10	13	30	1	19	14	14	12	15	8	5	8	12	11	16	13	9	7	9	7	10	7	9	7	9	7	7	9	8	9	5	10	20	24	24	19	16	13	17	30	25	27	32	26	30	23	31	34	28	20	22	11	24	21	23	17	18	30	31	27	37	25	32	23	33	6	6	6	5	8	5	7	12	8	8	5	6	12	7	21	12	14	9	19	12	16	17	10	13	11	29	18	9	16	3	16	14	13	20	16	17	21	15	11	17	16	19	7	13	14	6	14	16	12	12	26	20	17	22	5	28	25	14	10	13	15	28	11	17	45	24	10	15	12	11	18	1	11	62	38	38	8	34	33	12	7	9	0	17	12	36	11	11	9	14	5	5	12	13	11	14	12	13	10	20	12	18	34	17	21	21	31	24	9	20	14	28	33	7	10	18	20	12	14	13	15	15	10	7	7	9	10	10	8	10	9	17	17	10	9	24	15	16	20	18	3	6	9	31	12	23	22	11	16	27	12	22	12	12	5	7	6	2	7	9	8	29	17	17	8	3	7	30	14	9	23	3	7	14	9	18	38	8	23	20	13	14	14	2	6	29	21	6	17	12	7	6	26	29	17	14	14	16	5	10	13	13	13	26	9	17	5	2	6	19	35	13	15	23	17	12	25	30	12	27	16	8	17	20	22	15	24	18	15	7	20	41	10	9	16	20	33	19	8	11	11	6	12	13	18	6	5	20	34	42	32	5	22	16	25	40	20	12	21	9	18	9	22	25	36	32	34	38	10	2	4	29	28	49	38	24	8	40	26	50	32
+Tri-m-cresyl phosphate	9	6	7	8	9	7	7	6	6	8	11	5	6	10	6	8	5	6	6	6	4	5	14	4	9	7	14	14	14	25	17	12	15	8	24	17	42	11	11	7	10	10	25	0	19	12	13	10	13	7	5	5	12	7	13	9	7	7	7	6	9	4	5	4	7	6	7	8	7	7	7	10	14	22	16	13	13	9	13	25	18	20	25	19	23	17	22	24	22	17	17	8	16	18	19	11	14	22	22	23	27	16	22	17	24	8	9	8	6	8	6	7	9	8	8	4	5	12	7	14	8	11	7	14	6	10	8	6	7	6	20	15	8	11	3	12	10	11	13	12	13	16	13	10	13	17	19	7	11	10	6	11	13	6	9	18	18	15	18	2	23	23	9	6	11	13	18	7	10	34	21	9	15	9	7	15	2	11	38	50	45	4	23	26	13	4	6	0	15	10	29	9	11	10	12	4	4	9	10	9	11	10	10	13	19	10	14	25	12	21	17	28	18	5	12	12	26	24	6	6	14	16	8	17	13	10	10	6	4	8	9	10	8	8	9	8	16	16	12	7	20	14	14	13	12	2	6	11	25	7	23	23	5	12	18	10	16	10	8	4	5	5	1	4	9	5	24	12	20	10	2	8	27	12	9	17	2	5	15	6	16	29	6	15	13	9	10	9	4	6	30	19	3	17	11	7	6	16	26	17	9	9	16	5	10	12	12	10	15	11	17	4	1	1	16	27	13	13	18	14	12	18	24	8	20	14	8	9	12	18	11	17	16	13	6	19	31	7	8	11	17	29	13	6	5	7	6	12	11	14	5	4	17	26	35	22	2	20	14	15	29	12	6	18	5	15	5	18	21	32	28	21	30	10	2	3	20	29	41	34	20	6	41	27	41	27
+Tri-p-cresyl-phosphate	9	5	7	8	9	7	6	6	6	6	10	5	6	9	5	6	4	5	5	5	4	6	14	4	8	8	14	15	12	28	17	12	17	10	23	17	41	10	9	11	10	11	25	1	18	13	14	11	14	7	5	6	12	6	12	11	7	7	7	6	9	5	6	4	7	6	7	7	7	7	6	10	16	20	16	14	13	9	13	21	20	22	26	20	24	18	23	26	22	18	20	9	16	17	19	13	15	21	23	23	29	15	22	17	24	7	8	9	7	10	7	10	10	7	7	4	5	14	7	15	8	12	8	16	9	12	10	7	8	7	20	16	8	12	3	13	9	11	14	11	14	15	14	11	12	16	19	7	12	11	6	11	13	7	9	18	14	13	15	2	22	22	10	9	10	12	20	8	11	33	24	9	13	9	6	14	2	10	38	45	51	4	21	25	12	4	5	0	16	10	30	10	12	9	12	4	4	8	9	8	10	9	9	9	16	9	13	26	13	21	17	30	19	4	10	12	28	23	6	5	13	15	10	16	13	12	12	8	5	8	9	10	8	7	11	7	18	18	13	7	19	12	14	15	15	2	7	11	27	7	21	21	6	14	18	11	17	11	9	3	5	5	2	4	8	5	25	11	19	8	2	10	25	12	8	19	2	5	12	6	16	28	6	15	15	8	11	8	3	6	31	20	3	18	11	6	6	17	27	16	8	9	14	5	9	12	12	11	16	11	12	4	1	1	15	26	13	8	20	13	12	18	21	8	22	12	8	12	12	16	11	15	15	11	7	20	31	7	8	12	14	30	11	5	5	6	5	12	13	13	5	4	15	26	36	24	2	21	13	16	31	11	7	20	5	14	4	16	21	30	25	22	27	10	2	3	24	29	43	34	18	6	39	24	41	27
+Isodecyl diphenyl phosphate	3	5	3	3	3	4	4	1	1	4	3	2	2	2	0	1	4	5	5	5	1	0	6	2	4	7	7	4	5	9	5	4	6	3	7	7	15	2	4	4	2	4	10	1	7	7	8	7	8	1	1	4	2	6	2	3	0	0	1	2	1	0	0	0	1	0	0	0	0	0	0	1	7	4	11	8	5	5	6	12	10	9	11	9	10	8	10	12	11	1	7	4	8	7	8	6	8	10	10	7	11	8	10	7	10	1	1	1	0	2	2	1	4	1	0	1	1	1	0	8	1	1	1	4	5	8	7	2	5	3	9	7	2	4	1	5	4	6	4	4	3	4	2	2	1	5	5	1	5	3	0	3	4	4	2	7	10	10	12	2	12	4	11	3	1	2	5	2	2	16	9	5	5	5	4	5	3	3	8	4	4	19	12	2	6	7	3	1	14	1	12	3	1	6	4	1	1	6	4	4	6	4	5	7	11	2	4	12	1	7	0	11	4	3	8	5	9	7	2	7	2	8	3	5	5	3	3	0	0	1	0	1	0	0	2	1	4	3	3	0	13	6	3	7	5	2	4	2	11	4	11	11	2	5	9	6	4	3	5	1	1	2	1	3	3	2	9	5	6	4	2	1	10	7	5	9	2	2	6	1	6	12	1	13	6	5	4	6	0	4	9	2	2	8	4	1	0	11	11	8	7	4	10	2	1	5	2	10	4	5	8	1	2	2	4	4	3	9	5	2	5	9	14	2	6	5	2	7	6	8	5	11	4	3	3	6	12	0	0	2	8	6	12	8	7	4	1	6	6	5	3	2	8	11	9	10	2	10	6	9	12	11	5	6	8	13	3	10	14	16	12	15	16	1	1	3	16	15	18	15	8	2	14	12	17	15
+Tris(isopropylphenyl)phosphate	11	4	7	8	10	8	8	5	4	15	28	14	9	5	8	8	3	4	4	4	6	7	21	7	15	16	11	26	25	31	18	16	14	14	27	18	49	19	12	7	10	12	15	0	18	15	15	13	16	5	5	10	12	13	13	10	11	8	10	11	10	9	10	8	12	7	8	9	8	9	7	9	20	22	27	23	14	10	11	26	21	21	31	23	30	20	27	29	38	10	17	11	22	14	17	18	17	28	26	28	39	22	26	26	34	6	8	4	8	7	6	9	11	7	6	10	10	20	14	28	15	10	6	25	13	18	17	10	11	11	30	27	14	21	4	18	25	23	25	21	15	30	18	10	23	13	21	7	14	16	8	18	22	17	19	33	22	20	22	6	27	24	28	10	13	11	27	9	11	44	25	13	10	16	11	24	6	7	34	23	21	12	81	26	15	13	18	0	14	18	36	15	21	9	21	8	7	19	19	12	19	13	16	18	19	10	26	36	15	29	10	26	31	16	18	19	23	39	4	18	27	16	10	11	11	11	10	12	10	8	10	10	11	8	9	9	13	20	14	8	28	21	18	20	25	7	4	7	25	11	25	24	8	15	33	12	35	13	10	8	16	11	6	5	10	10	29	14	20	7	8	6	30	23	11	22	2	10	15	13	15	42	17	25	29	19	9	11	5	9	15	15	5	14	19	9	9	36	34	28	24	24	16	4	12	13	9	11	21	10	14	10	1	3	26	38	9	16	21	23	13	21	34	9	26	22	10	15	18	16	11	26	25	22	11	16	38	15	10	16	22	30	19	5	4	12	10	7	8	23	8	11	22	34	51	26	3	22	10	21	30	20	16	18	12	21	13	8	29	50	36	41	50	11	6	10	34	42	55	39	19	10	43	29	57	51
+Tris(3,5-xylenyl)phosphate	7	7	5	4	5	8	6	4	4	8	10	6	7	8	8	8	8	8	9	9	7	7	21	6	14	9	10	17	15	27	13	14	13	6	16	12	46	14	11	6	10	7	25	0	12	9	10	6	11	4	3	8	10	6	15	7	8	7	8	6	9	6	8	6	8	7	7	7	7	7	5	8	16	21	21	12	14	9	12	24	14	16	24	22	23	18	22	24	25	17	14	9	15	10	10	16	18	26	21	29	30	22	23	22	27	6	6	7	7	5	5	6	10	7	6	8	7	13	8	21	11	8	6	15	11	15	16	7	8	8	19	13	10	15	3	8	11	10	19	18	13	16	13	8	16	15	20	8	11	12	4	12	13	9	11	20	14	10	16	2	16	18	18	5	10	12	19	5	8	33	17	9	11	5	6	14	1	9	33	26	25	2	26	52	10	9	8	0	12	9	24	12	10	5	10	4	3	7	10	6	8	8	7	12	15	13	17	25	11	23	14	21	14	10	17	16	19	29	7	5	13	10	12	11	10	8	8	10	8	7	9	9	10	7	8	8	9	14	10	8	20	16	11	12	12	1	6	8	22	9	19	17	6	10	21	10	21	10	6	4	8	8	1	7	10	9	24	10	14	8	4	4	19	14	2	18	3	9	15	8	10	25	9	12	22	14	11	15	2	7	17	18	4	12	15	8	7	23	20	18	10	14	11	5	8	5	8	13	17	4	9	3	0	1	18	31	10	13	22	11	9	20	25	8	25	20	4	8	17	16	5	16	20	19	8	16	24	12	7	12	12	23	13	1	3	8	6	11	9	13	7	3	11	26	39	22	2	13	8	12	30	16	10	17	4	19	4	9	23	28	26	22	32	9	2	4	22	30	45	32	13	5	33	20	44	30
+Tris(2-butoxyethyl) phosphate	3	6	0	3	4	5	7	6	6	7	6	2	3	8	8	8	5	7	7	8	4	2	10	6	4	10	8	12	12	21	7	10	14	3	12	10	26	5	5	6	10	6	19	1	15	13	14	14	15	5	3	7	7	7	8	5	7	7	9	10	9	7	6	5	7	6	7	9	9	8	7	9	7	11	17	11	10	5	8	23	13	13	18	17	19	16	16	17	16	4	13	8	20	12	10	6	10	14	17	11	21	12	16	13	20	6	5	2	4	3	3	4	6	6	6	8	8	13	9	18	6	5	6	11	7	6	10	4	4	6	20	12	3	7	6	9	9	11	5	9	5	5	4	4	3	1	3	0	7	11	3	5	10	2	4	12	13	14	16	4	21	15	16	13	12	9	22	8	10	34	20	8	11	8	7	3	9	5	12	13	12	6	15	10	39	10	7	4	7	11	23	7	15	11	11	8	6	11	13	9	15	9	10	13	17	4	6	18	3	5	7	15	12	9	12	6	15	11	1	19	5	20	8	13	11	7	6	8	8	13	10	10	8	8	9	11	15	17	14	9	13	9	8	10	14	8	4	8	17	7	12	12	10	8	19	3	10	4	9	5	2	1	4	2	9	2	24	10	16	6	2	8	22	6	10	12	3	2	3	1	9	16	2	22	10	2	12	9	6	2	11	8	2	4	2	2	1	12	20	8	4	7	23	4	5	6	6	19	9	7	23	4	2	9	9	17	11	23	8	10	11	11	20	3	5	4	4	10	3	22	11	22	12	12	5	12	21	2	3	4	15	12	18	5	9	3	4	15	17	13	6	9	8	20	29	13	5	8	8	18	17	14	9	17	13	21	8	20	27	26	25	25	29	3	5	4	17	24	31	24	8	3	22	16	32	21
+Tris(2-chloroethyl) phosphate	8	8	4	2	5	7	3	2	2	7	18	10	5	4	5	6	8	8	9	11	6	5	17	6	7	7	10	16	9	17	10	11	18	6	12	10	31	5	4	4	19	12	12	8	16	12	12	11	14	10	8	10	12	9	9	9	13	8	12	16	14	15	11	10	16	6	8	12	11	14	7	11	9	8	9	9	9	5	3	15	9	9	13	9	11	6	15	18	23	21	9	9	16	10	9	8	10	15	14	14	19	15	18	18	17	5	7	6	5	4	7	6	6	9	6	11	8	13	7	18	9	8	7	14	7	15	18	11	13	9	33	17	9	20	8	8	9	15	14	13	12	16	14	7	13	6	10	4	10	14	7	13	10	15	13	16	8	9	9	7	13	32	20	19	27	23	27	17	21	39	32	13	5	11	12	2	5	14	7	4	4	7	13	9	10	42	13	2	9	15	26	16	19	7	13	8	6	8	12	6	10	8	9	16	21	4	17	18	7	16	27	16	17	18	11	13	18	17	5	14	14	23	5	10	16	11	9	16	11	14	14	14	13	7	17	16	18	19	16	15	11	11	8	13	16	6	4	6	20	14	10	10	9	10	21	5	12	14	11	3	5	6	5	1	10	6	34	16	13	5	4	7	10	13	7	10	2	6	10	7	12	22	5	19	13	7	6	7	2	7	8	8	3	9	7	3	3	19	13	11	13	7	8	5	2	3	10	12	9	12	11	6	0	4	10	14	8	11	8	18	9	9	14	11	15	12	11	8	8	18	8	16	5	5	8	4	18	4	4	11	15	18	12	1	2	11	11	12	9	13	11	5	16	16	20	20	5	14	7	13	23	9	11	18	9	14	10	10	22	21	34	18	20	9	2	2	25	15	26	22	9	3	21	18	32	27
+Tris(1-chloro-2-propyl) phosphate	7	4	3	7	9	8	5	6	6	7	11	9	4	3	7	5	3	4	4	4	5	6	11	8	8	10	4	14	16	16	8	12	15	5	18	4	21	11	4	4	11	7	7	5	13	12	11	12	14	5	2	12	12	18	10	6	10	9	13	14	8	10	9	9	11	7	7	9	12	9	7	8	12	17	11	10	8	5	5	10	8	8	10	7	11	8	10	12	17	17	5	6	12	7	7	12	14	11	7	10	24	10	14	17	16	7	8	6	7	5	6	9	6	10	8	10	9	17	6	18	13	8	10	14	9	14	18	8	12	8	23	8	4	8	7	9	8	9	14	12	9	11	5	4	9	5	10	5	5	9	3	6	10	10	3	15	9	8	5	4	11	22	10	15	21	17	25	14	17	25	30	12	4	13	16	6	4	17	9	6	5	3	18	8	7	13	34	1	8	12	22	7	8	3	9	5	4	10	10	8	11	10	9	15	19	6	9	19	12	9	18	14	17	12	12	14	16	18	6	13	13	16	10	9	11	10	8	13	10	7	9	9	9	8	10	9	18	21	14	9	13	10	10	11	8	1	2	4	13	10	10	10	8	10	10	8	9	4	9	3	3	6	3	3	8	3	22	11	13	4	3	5	13	10	4	9	3	4	6	10	10	17	4	12	11	11	10	9	1	8	11	12	5	6	9	5	1	21	17	13	9	9	8	7	6	5	8	5	8	5	6	4	0	1	10	14	8	7	11	18	10	15	16	10	15	8	13	7	10	10	5	11	13	12	7	10	21	5	6	5	14	21	7	3	3	11	9	10	7	12	14	11	16	17	16	15	5	11	5	19	23	11	12	11	8	9	9	11	16	20	20	16	19	4	3	2	24	11	20	15	9	5	16	14	21	19
+Tris(2-ethylhexyl) phosphate	0	2	0	0	0	1	0	1	1	1	0	0	0	3	3	2	2	2	2	2	0	0	1	2	0	2	1	0	0	3	0	1	4	0	2	0	1	3	0	0	0	1	0	0	3	3	3	3	3	0	1	1	1	1	3	1	1	1	0	1	0	2	1	1	1	1	1	1	1	1	0	0	1	2	3	1	1	1	0	2	2	1	4	4	1	1	3	2	2	1	1	0	4	1	1	1	2	2	0	2	1	0	3	2	1	2	1	0	0	0	0	0	0	2	2	2	2	3	2	4	1	2	1	1	2	1	2	2	3	1	4	1	0	1	1	1	0	2	0	0	0	0	0	0	0	0	0	0	1	3	0	0	0	0	0	0	0	0	0	0	0	4	4	3	3	3	5	2	2	5	4	2	0	2	2	0	3	1	0	0	0	1	0	0	4	2	1	6	0	1	2	1	2	1	1	1	1	1	2	0	3	1	2	2	3	0	0	2	0	0	2	2	2	2	1	1	1	0	0	3	1	1	0	3	4	3	2	2	3	3	1	1	2	2	1	2	1	2	1	2	2	0	0	2	3	1	1	3	3	0	1	1	2	1	0	0	1	1	0	2	1	0	1	0	1	0	5	1	2	0	2	0	1	0	3	0	1	0	1	0	2	1	1	3	0	0	1	2	1	1	0	2	0	1	0	0	0	3	3	0	1	0	4	0	0	0	3	3	1	2	1	0	1	2	0	0	1	3	1	1	1	2	1	0	1	2	0	4	0	1	1	2	0	0	1	0	2	0	0	1	3	5	3	1	2	1	2	4	4	3	2	2	1	1	2	3	0	0	3	5	3	3	2	5	2	3	2	6	6	5	2	3	5	0	0	0	2	3	0	0	0	0	0	1	5	3
+Triphenyl phosphate	6	8	5	7	6	6	6	5	5	12	8	7	7	5	7	7	6	7	8	9	7	6	14	5	8	11	11	10	8	14	9	10	17	9	17	13	22	7	2	11	7	12	17	2	9	7	9	8	9	6	4	8	6	9	10	9	5	4	6	7	7	6	5	5	6	4	4	5	6	5	5	8	12	10	11	10	6	2	6	17	12	10	15	12	15	12	14	16	17	16	9	6	10	8	9	9	9	13	12	9	21	14	17	13	18	10	12	12	9	11	13	10	15	11	12	10	11	18	10	22	8	10	11	9	7	11	10	8	11	5	17	13	5	7	5	11	7	9	7	8	7	11	6	6	5	6	5	3	5	6	2	5	6	7	6	11	13	14	16	7	22	17	8	17	14	13	20	10	12	23	26	12	11	12	7	7	1	5	17	15	16	14	14	12	7	9	8	0	39	13	30	14	14	12	14	6	6	16	13	12	14	13	14	13	17	7	9	27	6	18	17	27	15	12	15	14	24	13	6	10	12	14	11	10	14	9	9	9	6	7	5	7	4	4	9	6	21	22	22	4	13	9	7	13	14	1	7	6	14	7	13	13	7	18	19	6	9	10	6	5	3	4	1	4	11	3	19	9	14	4	5	5	16	9	8	11	5	4	8	3	9	19	3	21	10	3	7	19	0	4	20	13	3	13	4	4	4	16	20	14	6	2	15	4	5	8	9	12	11	5	11	3	0	3	6	13	11	14	13	11	9	11	15	7	10	5	9	10	1	11	6	18	10	7	6	11	25	6	11	12	17	23	16	11	10	5	5	9	10	7	13	11	13	16	26	18	5	15	8	15	29	11	12	10	7	10	6	12	18	22	22	19	25	11	1	2	17	22	27	21	13	3	20	18	26	23
+1,2-Benzanthraquinone	8	6	8	16	17	15	12	17	16	14	20	12	12	9	14	12	7	7	8	8	5	5	20	6	10	13	11	13	8	23	6	9	21	13	22	16	32	8	2	10	12	17	19	0	19	14	15	16	15	6	7	20	19	20	12	14	13	11	11	11	13	18	16	14	13	12	11	11	12	11	9	9	6	11	8	8	4	0	4	20	5	6	9	9	12	8	9	12	19	16	6	6	11	7	6	6	3	11	10	14	23	13	11	11	16	11	10	9	8	9	8	11	7	9	10	13	11	19	17	24	8	9	10	18	8	9	10	4	4	0	24	17	11	15	11	10	9	9	18	19	11	15	19	7	15	5	17	2	9	12	10	13	9	12	18	17	13	13	10	8	12	20	14	13	18	16	24	17	19	26	28	19	11	20	19	4	3	6	12	10	10	1	18	9	11	15	12	1	13	44	38	19	31	17	23	11	9	18	20	15	15	15	15	17	21	7	18	25	7	17	16	15	22	14	13	11	21	20	3	9	17	20	8	15	17	16	15	21	18	13	12	12	13	11	10	14	18	20	15	14	17	12	7	12	21	7	5	8	22	10	18	18	7	16	28	4	10	15	3	7	6	5	6	1	9	5	28	11	22	6	3	6	24	8	12	16	5	8	7	7	10	27	6	19	10	9	12	15	2	4	12	13	4	14	4	5	5	22	17	10	8	8	16	3	4	6	11	14	9	8	17	3	4	7	11	15	13	14	11	18	9	11	18	11	16	8	9	8	4	14	11	17	10	9	8	20	22	7	13	11	18	22	16	3	2	9	9	11	12	13	12	12	13	16	27	20	4	18	10	23	28	10	16	16	12	9	12	11	19	20	28	17	25	12	4	4	26	17	25	20	11	2	20	14	37	35
+1,4-Chrysenequinone	14	9	11	16	18	17	13	17	16	19	30	16	11	11	17	17	9	11	12	12	14	12	36	15	19	32	17	36	26	56	17	31	50	18	48	23	66	17	7	25	31	28	51	2	37	26	26	27	29	22	20	29	28	35	30	24	29	21	32	40	30	33	33	25	32	23	20	29	33	30	19	27	30	35	31	27	21	13	16	41	33	26	35	31	35	27	31	36	48	39	25	16	26	18	18	25	22	42	34	44	57	35	43	39	45	29	29	28	19	24	19	25	25	25	26	28	21	38	29	61	29	23	23	45	23	25	30	16	15	10	53	33	13	34	15	34	22	25	32	33	20	31	25	13	19	14	24	6	17	27	10	19	21	25	25	44	30	27	24	15	30	62	36	37	53	38	70	37	41	67	83	33	28	34	35	17	7	17	36	29	30	12	36	24	23	26	22	2	30	38	137	25	37	24	38	14	11	28	35	21	34	24	28	29	40	13	32	56	22	48	40	38	46	24	28	28	43	57	5	16	33	40	24	24	28	31	30	37	32	33	32	34	31	23	29	38	49	58	46	33	36	29	20	29	46	11	7	19	50	20	34	34	21	31	54	10	30	21	13	11	19	12	6	9	13	13	70	30	44	14	12	10	42	23	20	33	8	11	15	13	25	55	19	40	25	25	20	28	5	13	41	26	9	23	21	8	10	57	41	36	27	22	29	8	7	13	21	30	22	18	25	9	6	9	24	31	20	28	39	35	20	34	38	17	34	26	24	26	18	30	20	32	26	21	17	35	72	15	20	28	35	42	28	10	14	17	20	25	25	39	24	27	33	46	61	41	10	33	19	42	59	37	31	41	20	37	20	29	50	65	68	53	68	17	6	10	56	42	68	51	21	8	53	37	84	72
+Hydroxychrysene	10	8	9	8	9	6	7	7	7	13	21	15	21	8	12	12	9	9	11	11	9	9	15	9	12	9	10	14	7	14	11	11	19	17	11	13	29	4	3	9	15	15	19	2	11	7	10	10	9	12	11	11	15	14	9	11	14	8	13	7	18	15	12	10	14	7	7	11	12	11	7	13	7	11	6	7	7	6	0	8	7	6	10	10	10	8	4	9	14	14	3	3	10	3	3	11	9	8	7	11	20	14	15	13	13	15	13	12	9	10	10	14	12	8	10	12	7	9	6	17	10	7	6	17	9	5	5	11	10	9	19	13	13	17	9	7	8	6	17	13	15	16	17	9	14	6	9	5	8	13	8	14	11	12	13	23	5	6	7	5	9	20	12	17	23	16	21	18	19	21	19	15	5	7	12	6	2	2	11	9	10	3	15	12	7	16	7	1	14	19	25	40	16	11	16	9	9	14	15	11	11	11	12	26	17	7	17	21	5	21	19	19	17	14	11	12	22	23	1	7	19	16	13	9	16	16	13	19	12	19	19	20	15	8	18	16	18	16	19	16	8	13	11	15	12	3	6	4	19	11	9	9	3	12	23	10	11	13	6	3	2	5	4	0	9	5	22	9	11	3	2	4	12	8	4	7	3	5	11	5	5	17	2	19	8	8	3	11	0	4	14	12	6	14	5	6	5	18	14	7	4	3	14	2	6	8	8	5	6	6	15	0	0	1	12	10	8	11	10	17	8	16	13	5	15	9	8	9	6	9	6	16	10	7	9	10	19	8	10	18	12	16	12	1	3	6	7	10	4	10	6	6	9	18	19	23	4	14	6	16	17	4	12	4	3	5	5	4	11	18	19	12	13	10	1	1	13	9	23	23	9	4	20	17	30	29
+1-Nitronaphthalene	8	8	10	12	14	15	10	10	9	15	27	16	6	7	11	12	9	10	11	11	6	6	19	9	8	16	18	32	27	28	17	18	28	14	31	19	46	22	10	14	21	20	20	1	19	18	18	16	18	11	10	17	11	15	16	17	19	17	20	19	23	24	20	17	21	18	16	18	22	20	17	21	13	20	29	24	8	2	4	21	17	17	16	15	21	15	22	19	25	19	11	12	22	12	13	13	11	22	20	24	36	16	16	19	20	16	15	15	13	16	13	19	14	16	14	12	12	25	20	35	15	13	10	23	8	10	12	9	10	7	26	32	13	31	12	32	26	25	30	31	21	37	24	12	25	13	23	5	19	28	10	17	22	21	25	40	23	25	28	11	35	30	18	24	26	18	35	21	27	31	35	21	10	18	15	12	7	11	11	11	12	1	21	10	15	19	8	2	14	31	37	16	49	18	34	13	12	23	31	19	27	23	23	24	24	10	35	23	17	33	18	20	26	21	12	23	22	35	6	14	18	23	7	19	22	20	19	26	20	25	22	21	20	17	20	23	31	34	30	23	29	23	19	14	23	11	7	13	30	20	9	9	18	10	31	10	20	19	11	12	20	12	7	5	19	9	31	25	29	9	8	8	31	21	18	20	8	11	8	17	17	28	20	29	26	12	13	14	1	6	17	13	6	20	17	7	10	38	27	23	34	12	25	5	8	13	14	26	24	9	24	13	6	10	20	30	18	25	13	18	11	9	30	16	18	21	16	11	9	28	17	28	13	13	11	13	28	12	16	17	24	25	24	5	5	11	15	17	20	19	9	14	14	24	42	20	3	13	4	18	24	23	23	25	14	24	12	15	32	37	27	24	35	17	6	8	23	24	37	43	18	11	42	35	44	44
+Hydroxyfluoren-9-one	3	4	8	9	9	8	9	5	5	7	10	2	7	5	8	8	6	5	6	6	5	5	8	7	4	8	10	11	9	15	4	8	15	7	11	9	23	2	2	9	9	11	12	1	15	10	10	11	10	6	5	12	8	9	10	11	10	7	10	10	11	10	10	8	11	7	9	11	10	10	9	9	2	6	11	5	3	1	4	17	9	6	12	11	9	5	12	12	12	10	7	4	8	6	6	5	6	8	13	15	15	9	7	12	11	10	9	5	5	8	7	9	8	7	11	11	10	11	11	15	4	8	8	11	6	5	6	4	2	2	14	16	9	15	6	6	11	11	13	12	9	12	14	9	9	5	5	2	8	13	9	11	9	11	13	16	12	12	12	5	14	16	12	9	14	7	21	11	13	19	21	14	9	13	11	4	4	4	9	10	9	6	9	5	11	7	3	1	12	17	24	11	18	25	16	11	11	12	16	11	16	13	15	9	16	5	12	17	3	13	15	7	19	8	8	8	17	9	0	6	14	7	6	14	10	11	10	12	10	10	10	10	10	9	6	12	17	18	17	12	14	8	7	9	10	9	3	11	16	9	13	12	8	6	17	5	10	13	5	10	2	6	5	3	3	4	22	13	18	8	4	4	16	7	9	10	5	5	5	1	6	17	2	16	7	4	4	15	1	3	10	11	2	5	2	2	5	13	17	9	3	1	13	3	5	7	9	13	2	5	13	0	2	5	5	10	4	14	8	8	13	13	15	5	8	6	5	9	3	15	10	15	4	1	6	12	15	3	13	12	17	17	16	5	7	3	7	12	10	11	6	9	8	16	16	16	0	9	8	15	20	11	7	16	8	13	5	11	18	20	15	13	21	10	3	4	13	10	14	19	10	3	21	14	22	18
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+Dimethachlor	4	1	5	10	10	5	2	4	4	5	4	1	5	2	4	2	2	2	2	3	0	1	7	1	10	10	7	15	17	19	12	17	14	4	13	8	28	14	7	3	8	7	13	1	5	6	5	8	7	6	3	8	5	8	10	5	5	5	5	5	5	7	5	6	6	5	5	4	7	4	4	4	16	19	14	13	6	7	2	9	12	12	14	14	21	15	13	14	17	11	8	5	7	6	6	14	14	13	10	13	23	11	15	14	21	3	3	3	2	3	2	3	5	7	6	3	5	16	5	21	13	10	6	14	9	11	9	7	9	6	12	18	8	15	3	16	18	17	19	17	7	23	15	8	19	11	13	4	5	7	4	11	16	13	13	23	10	10	10	5	13	19	7	8	12	8	21	7	8	22	27	6	8	8	8	10	1	8	17	12	13	1	15	11	3	7	12	0	6	7	22	5	17	3	13	2	2	9	9	5	9	9	6	6	11	4	19	19	30	24	16	10	22	12	15	21	9	27	5	5	16	22	7	6	5	6	5	8	6	7	5	6	5	5	8	5	16	16	11	5	16	17	14	13	14	4	2	2	15	9	3	3	8	8	20	6	18	10	6	3	15	6	1	4	6	9	14	14	15	0	4	1	16	17	3	7	0	10	10	13	8	16	16	13	12	16	6	3	1	6	18	7	2	16	19	2	5	26	14	22	18	17	1	6	6	8	4	9	15	0	4	10	2	4	20	20	6	3	11	13	8	8	19	8	17	18	7	7	15	12	12	11	18	19	9	10	19	12	12	18	12	10	10	2	2	3	2	4	3	6	7	8	14	19	27	13	1	7	4	18	23	12	12	8	3	10	3	7	18	16	15	10	17	10	1	4	18	19	29	26	11	9	25	19	29	28
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+Chlorpyrifos	13	10	8	9	9	10	7	7	6	12	13	10	9	10	8	11	7	9	10	10	8	11	24	11	23	7	11	22	17	35	18	18	20	14	35	14	51	8	2	27	39	22	33	25	34	30	32	32	33	25	20	22	19	20	19	16	29	23	32	45	44	25	21	19	32	22	22	36	37	36	25	39	18	24	14	18	14	8	8	17	15	13	11	9	10	9	20	21	32	56	9	15	25	15	17	21	23	24	23	32	41	20	30	32	32	33	37	34	26	28	26	28	23	28	27	28	23	46	19	44	33	14	21	30	13	42	43	11	19	13	65	25	4	24	9	22	11	17	23	20	16	20	14	8	15	10	14	5	10	17	5	13	9	16	12	29	12	12	13	8	20	73	46	54	70	65	80	53	59	93	92	19	10	5	19	4	5	26	21	17	17	0	10	14	7	27	18	2	17	16	40	19	18	15	16	8	6	17	22	12	19	14	16	19	36	8	22	35	16	36	107	26	32	24	16	22	41	38	11	15	19	28	33	17	19	24	22	32	25	45	45	46	37	30	54	41	68	64	60	39	16	14	9	30	19	6	11	16	33	19	15	15	13	23	22	9	4	19	10	4	8	8	4	2	12	6	47	33	21	5	7	5	23	17	10	12	3	3	8	11	14	24	8	27	21	15	12	16	4	7	40	25	6	18	13	5	8	42	39	24	26	6	17	6	7	11	24	23	9	17	15	6	1	2	11	11	11	16	16	27	21	25	19	12	21	19	27	24	20	22	22	21	14	12	7	21	32	3	11	19	18	51	18	3	8	19	18	11	16	27	16	9	37	36	35	33	16	20	11	38	48	25	30	24	16	21	11	29	32	39	46	14	37	8	1	2	47	8	35	31	15	3	36	24	46	39
+Fenoxaprop-ethyl	7	8	6	10	11	7	9	9	8	13	17	14	7	8	8	9	6	7	8	8	6	8	19	8	14	15	13	20	18	32	16	19	26	12	37	16	43	20	8	19	27	22	33	8	24	19	22	20	22	15	10	13	18	13	18	20	18	14	22	18	28	21	17	13	18	14	14	24	24	24	18	23	21	25	29	20	20	13	15	35	25	25	31	23	29	24	32	28	31	31	20	10	22	18	21	15	20	28	30	30	37	25	25	24	36	15	14	14	9	15	12	12	15	16	14	15	13	17	9	29	16	7	8	20	14	21	22	11	16	9	50	20	6	14	11	20	18	20	14	13	7	21	6	6	8	7	10	3	11	15	4	7	21	11	10	30	21	21	26	5	33	37	28	32	36	26	38	23	29	56	54	23	21	11	12	15	5	13	31	28	30	11	26	21	15	16	14	2	27	15	38	19	20	7	16	6	5	17	19	13	19	12	16	18	38	8	14	42	10	22	26	79	22	20	22	16	40	35	6	23	16	26	14	22	26	26	25	24	20	26	28	30	21	16	28	25	36	36	34	23	23	24	20	21	18	5	9	11	34	16	25	25	18	23	32	9	22	11	14	8	4	7	3	4	16	6	40	24	24	14	6	11	37	21	12	30	5	6	10	5	17	48	5	29	19	18	16	21	8	11	27	19	8	18	12	5	8	38	34	27	28	15	27	5	5	7	24	23	20	17	20	6	4	3	13	18	14	25	17	30	16	24	27	11	25	27	22	23	15	21	12	23	18	16	10	23	45	12	13	17	23	42	19	11	9	17	15	18	19	20	13	11	28	35	43	36	12	21	15	31	47	25	19	29	20	29	8	26	37	49	50	37	45	5	3	4	37	39	49	44	15	13	44	35	58	52
+Atrazine	13	7	12	14	13	8	9	10	10	14	27	16	11	11	12	11	6	8	8	8	5	6	19	7	15	19	16	34	29	41	20	30	28	16	32	18	54	23	9	18	20	25	32	6	22	22	24	22	23	20	16	18	17	18	23	20	22	17	20	21	25	25	20	18	26	19	17	21	23	22	16	20	23	30	31	26	15	12	5	20	24	20	22	18	26	16	16	20	33	30	12	7	13	8	12	24	18	25	19	27	41	18	27	26	28	20	23	18	14	16	16	18	18	16	19	20	16	26	19	44	20	20	15	31	21	23	19	17	19	16	38	32	10	33	7	33	27	28	31	30	18	32	22	15	23	12	18	3	16	25	8	18	25	20	19	42	25	21	21	9	27	43	32	35	35	30	48	30	34	53	50	23	9	21	24	14	6	16	24	18	19	4	31	14	12	17	17	2	15	22	46	17	26	19	31	11	9	21	29	18	30	20	21	23	32	11	32	39	22	36	32	22	75	23	26	32	32	42	7	16	37	32	22	11	23	26	24	27	21	25	25	25	26	21	25	26	45	47	39	25	33	28	19	24	29	7	8	15	40	20	19	18	17	27	39	8	26	22	15	17	18	9	6	5	12	10	48	23	21	9	9	11	31	27	17	22	5	11	13	13	17	33	19	39	23	13	7	20	1	8	24	18	6	15	19	7	8	41	40	30	27	19	33	7	11	14	19	20	23	17	23	12	2	6	29	39	7	30	25	27	16	28	39	13	32	22	12	18	19	18	20	31	26	24	9	16	41	15	19	22	26	38	29	7	10	15	17	19	12	22	15	20	28	27	50	31	4	26	16	31	45	20	22	28	16	20	15	16	34	41	42	37	43	14	4	9	36	24	49	38	14	10	37	30	61	60
+Malathion	8	8	8	9	9	11	9	11	9	14	17	10	7	8	11	10	7	8	8	9	7	6	17	9	12	14	12	27	19	25	12	17	19	12	21	12	40	19	6	7	19	15	17	9	22	18	22	20	20	14	12	10	9	10	9	12	19	14	17	18	22	19	17	14	20	16	16	16	19	17	14	19	13	19	16	19	11	4	2	17	15	13	11	9	18	15	16	21	21	17	9	12	18	5	9	10	12	19	17	18	29	18	21	19	21	18	18	16	7	5	6	10	8	12	12	14	12	21	17	30	16	11	9	17	9	16	16	12	15	12	37	24	12	29	12	22	23	24	24	24	13	28	20	7	20	7	16	3	17	23	7	16	17	20	18	35	20	19	20	12	21	37	22	24	27	19	37	24	28	46	38	15	3	10	12	10	4	12	9	5	4	3	16	10	9	18	12	2	12	14	24	14	21	8	23	11	9	17	23	16	23	17	18	20	17	10	31	16	12	23	24	20	23	55	14	18	20	29	5	17	15	21	12	10	14	14	14	19	16	20	21	21	19	15	18	21	28	33	27	20	18	19	13	12	18	6	6	9	26	20	7	7	14	13	30	8	17	15	9	10	9	11	3	4	15	7	33	25	18	8	6	8	19	19	12	13	8	9	12	11	8	19	11	25	20	9	10	8	2	7	15	10	9	14	10	6	7	27	21	19	23	10	20	4	7	10	8	17	17	8	15	10	4	6	14	26	12	19	11	16	10	11	26	11	18	18	14	13	7	21	11	23	16	15	9	9	27	11	13	15	20	24	22	5	5	11	10	14	11	13	12	12	11	15	33	16	4	9	6	20	23	16	14	19	12	16	8	19	34	27	23	18	27	12	7	6	19	18	26	32	11	8	31	23	34	37
+Metazachlor	6	1	6	2	3	4	3	2	2	6	8	5	5	1	5	5	1	1	1	1	3	1	14	3	10	15	5	23	18	27	8	20	20	7	24	8	36	10	6	9	13	13	20	3	20	17	18	19	18	7	4	13	9	12	14	11	14	11	11	7	12	16	13	12	16	13	11	10	10	10	7	11	18	25	21	16	15	13	9	25	18	16	22	20	23	16	15	24	20	22	8	5	15	10	12	20	18	16	14	20	25	16	20	17	30	7	9	4	7	7	6	7	10	10	5	13	9	10	5	30	17	7	7	21	17	15	15	11	14	11	25	20	8	18	2	18	15	16	18	21	11	20	14	7	16	9	15	6	10	16	3	10	17	14	12	27	11	10	12	3	17	25	26	17	18	30	28	17	21	42	39	12	16	14	12	9	5	8	20	12	10	8	18	17	12	11	12	1	15	13	28	11	12	8	19	5	3	9	14	7	11	7	7	12	9	8	20	21	15	27	16	22	26	14	50	19	21	31	11	19	18	23	11	6	11	16	15	22	16	14	14	15	17	13	12	13	26	29	26	13	24	19	13	14	15	3	7	12	19	12	12	11	14	6	23	6	21	10	7	6	9	5	2	6	7	7	33	19	18	6	4	5	25	17	7	16	4	8	12	11	14	28	10	23	11	12	11	11	3	7	14	12	3	13	16	3	6	27	23	19	14	16	15	4	3	8	10	17	15	8	15	9	4	7	17	16	8	17	17	16	10	20	24	7	23	19	13	15	18	15	10	16	18	19	9	18	28	8	9	16	12	17	14	4	7	9	10	9	14	12	9	10	17	26	29	18	5	12	7	25	31	24	16	19	16	23	4	19	27	34	34	23	37	5	2	4	21	27	39	33	8	9	33	22	42	39
+Metolachlor	8	5	9	10	9	8	4	5	5	8	6	8	8	6	6	4	5	6	6	7	4	5	13	5	13	9	12	19	21	24	12	26	19	8	22	14	35	19	7	8	14	14	18	2	15	17	17	16	17	8	7	14	12	10	14	11	14	15	13	9	14	15	12	13	15	13	13	13	16	12	11	12	18	22	18	21	9	6	3	14	17	12	11	10	21	12	16	17	18	18	9	7	13	8	11	19	14	17	13	18	27	12	18	16	20	9	9	9	8	8	8	10	12	15	13	9	11	19	12	29	20	13	11	16	10	8	10	6	6	6	17	26	8	16	10	22	22	24	19	19	8	25	16	9	19	11	13	5	7	7	5	11	15	14	16	29	18	16	17	7	17	26	12	12	15	15	23	9	12	27	30	13	10	10	10	9	3	6	14	12	12	5	19	16	6	13	14	1	14	11	28	12	23	8	21	5	5	14	13	10	17	13	11	13	17	6	22	21	21	34	22	16	32	18	19	41	17	31	10	11	21	27	12	12	12	14	14	16	14	14	13	14	14	14	16	13	22	24	19	12	27	17	11	14	16	10	4	5	18	13	11	11	15	17	25	6	22	12	7	5	20	9	0	4	11	8	28	17	22	3	8	4	25	17	7	8	3	8	12	10	12	22	21	17	16	18	8	11	0	7	20	11	7	22	18	3	7	29	22	29	26	19	7	8	6	9	10	12	24	4	5	15	1	5	27	29	12	8	15	20	10	16	26	12	26	20	8	8	14	13	10	13	19	20	13	14	27	16	16	18	16	17	10	1	3	5	3	10	7	13	10	9	21	21	34	19	3	15	6	26	31	18	20	13	7	14	5	15	25	25	22	20	26	12	4	8	19	28	39	35	13	7	34	28	41	38
+Methyl parathion	6	12	9	12	15	12	10	6	5	14	20	12	8	8	10	11	10	12	14	14	10	11	26	12	15	23	21	33	18	35	19	28	28	13	40	20	48	12	5	24	27	26	32	9	33	29	30	28	31	19	14	22	20	25	23	19	27	18	24	26	30	25	23	20	28	18	18	24	24	24	16	26	30	32	29	33	21	16	10	33	28	26	32	28	26	18	22	27	28	32	18	11	28	17	18	32	32	28	28	29	42	24	29	22	30	24	27	21	18	17	19	18	25	23	19	21	16	30	12	37	22	16	14	33	19	24	25	19	18	17	49	22	13	28	11	24	15	19	32	26	23	32	22	14	22	15	19	7	18	25	7	19	22	17	21	34	17	14	15	6	21	50	35	30	53	44	58	40	47	55	64	26	7	26	25	11	8	21	28	26	28	9	23	19	15	18	16	1	24	21	43	22	22	17	20	9	8	21	23	15	20	17	18	20	27	12	33	49	9	37	41	40	32	20	21	17	79	36	9	16	22	25	31	19	27	29	27	34	26	31	33	36	29	21	33	30	43	51	44	28	27	18	18	29	18	5	10	19	34	20	12	12	18	32	31	14	19	22	19	8	8	11	6	5	22	9	44	32	29	13	8	11	21	15	7	24	7	10	13	13	20	35	9	36	14	9	15	21	5	10	30	24	6	23	19	8	5	33	26	16	19	8	26	9	9	15	14	20	17	10	20	3	2	2	14	23	15	24	23	32	23	27	21	13	40	13	19	28	17	23	20	26	19	15	11	21	42	8	9	18	26	36	24	7	10	17	19	17	25	25	20	18	20	38	43	39	8	26	15	31	47	23	25	26	17	22	14	27	33	41	42	34	43	11	5	4	29	17	35	36	22	10	39	23	57	48
+Pendimethalin	9	4	13	14	16	8	5	8	7	12	26	13	11	4	7	5	4	4	4	4	7	7	24	9	23	24	14	30	33	37	16	22	33	18	32	20	71	21	13	11	17	13	37	3	35	24	26	24	25	6	4	12	31	18	19	8	13	8	13	13	15	14	13	9	16	9	8	9	13	11	8	13	32	32	33	33	19	14	10	29	28	25	30	24	41	27	25	33	39	32	17	15	22	16	16	25	22	34	30	36	52	28	36	33	43	8	10	9	7	9	7	9	14	14	11	4	2	9	7	42	19	9	3	30	21	17	19	15	17	18	36	41	12	28	12	31	34	33	33	32	18	40	23	11	25	16	35	8	13	22	7	19	24	24	26	50	32	30	33	13	43	38	27	21	23	20	45	16	19	75	54	15	10	18	14	16	4	10	33	24	23	7	39	29	11	17	18	0	13	20	57	23	35	9	33	7	7	19	21	14	23	16	17	15	36	11	37	52	27	60	38	35	42	29	31	31	36	86	11	17	31	42	12	18	21	14	13	16	10	13	14	15	12	8	16	13	24	30	25	13	39	28	22	31	29	9	7	13	36	23	16	14	17	16	43	9	33	16	12	11	23	11	2	9	12	10	52	24	33	8	10	6	47	26	11	20	6	9	18	18	24	55	24	29	38	23	17	17	1	11	38	23	7	26	24	5	12	59	50	42	41	32	13	8	7	13	15	26	33	10	14	18	1	4	34	35	17	14	32	31	16	38	43	16	37	31	18	18	25	33	18	23	32	32	17	24	51	21	23	27	25	27	24	4	7	15	12	23	8	19	20	17	33	50	77	35	8	29	12	32	55	23	23	29	14	26	13	22	47	52	54	44	51	16	6	9	34	50	75	54	19	12	61	50	81	78
+Phosmet	1	1	3	1	1	3	1	0	0	0	2	1	0	0	0	0	0	1	1	1	1	1	4	1	2	3	3	7	6	9	2	6	5	1	8	5	9	7	4	0	6	3	8	3	4	4	4	3	5	1	1	4	2	5	6	3	3	3	4	5	4	2	2	1	5	3	5	4	6	4	3	4	9	8	7	10	6	5	2	4	4	4	5	4	4	2	5	8	8	7	5	8	7	7	7	9	6	7	8	8	10	7	9	8	9	4	5	2	2	2	2	3	2	6	3	1	2	4	3	10	9	5	3	5	4	5	5	5	9	7	11	8	6	4	1	5	6	7	6	8	3	7	7	3	6	3	7	2	4	4	0	4	5	6	6	7	4	3	3	0	4	12	7	7	5	8	10	4	6	12	11	6	0	7	5	2	1	8	7	6	6	2	4	7	1	5	6	0	6	3	5	1	6	0	8	0	0	2	3	2	3	3	2	2	5	0	5	8	5	9	11	6	7	5	11	10	9	11	15	4	6	7	3	3	5	3	3	3	1	4	5	5	5	5	4	5	2	4	2	4	6	6	3	2	4	0	3	3	7	6	3	3	6	5	8	2	7	3	3	0	7	2	0	3	6	3	10	5	5	1	1	2	3	5	1	3	1	3	6	4	5	7	8	1	5	4	1	3	0	2	4	2	1	4	7	1	0	9	4	10	9	7	1	3	1	1	5	4	10	5	0	4	0	0	8	7	3	1	8	5	3	2	10	2	9	8	2	7	7	1	1	1	8	7	4	4	6	3	1	2	1	10	1	0	5	4	3	3	4	7	1	3	5	9	8	6	1	3	0	4	8	5	5	6	4	8	2	6	8	8	5	7	10	3	0	1	5	8	7	8	1	3	9	6	10	10
+Terbufos	2	1	0	3	3	3	2	3	3	4	7	4	1	2	2	1	0	1	1	1	1	1	8	1	5	9	2	12	13	17	4	9	11	2	9	6	23	5	2	5	9	9	9	8	20	22	23	21	23	9	7	2	7	4	7	6	12	8	8	10	11	13	12	8	13	8	8	8	11	10	4	8	7	9	12	7	8	5	5	15	6	7	10	8	10	8	10	12	14	11	8	9	16	7	8	6	8	10	12	10	15	11	14	12	19	12	10	9	2	3	5	4	5	11	11	10	6	14	7	12	10	10	7	8	5	14	15	12	12	13	28	10	5	10	3	10	9	11	9	9	4	8	7	3	6	2	7	2	4	6	3	7	13	7	5	13	11	10	11	1	11	24	24	23	21	18	23	17	19	36	28	7	5	2	4	4	8	6	10	6	5	7	18	5	19	14	13	3	10	9	16	7	14	6	9	3	3	4	7	3	6	3	4	6	25	1	8	13	5	12	15	23	16	17	19	11	16	17	4	37	12	23	10	8	8	12	12	14	12	11	11	12	12	9	12	12	17	17	14	11	14	11	10	11	8	6	6	5	13	11	16	14	10	13	7	3	11	5	10	3	3	5	4	0	8	7	21	10	10	3	3	7	21	13	4	12	6	7	3	4	8	15	4	17	12	9	8	10	0	6	10	10	1	9	9	1	1	18	14	18	11	14	12	3	0	6	8	17	9	8	11	11	0	3	18	14	6	12	4	17	7	13	22	7	11	10	14	11	12	12	7	14	9	9	7	8	13	3	4	5	15	20	18	3	2	8	5	12	12	11	7	3	22	15	18	15	2	10	5	20	19	12	14	14	11	16	8	18	22	24	26	16	25	4	3	6	25	21	30	25	2	5	23	14	30	26
+Terbutylazine	11	4	11	8	9	7	4	6	5	7	21	8	9	3	5	5	4	4	4	4	6	6	16	7	9	11	10	24	21	29	12	16	20	10	21	15	33	20	7	10	14	12	18	5	19	19	20	19	20	9	11	14	16	16	16	9	15	10	13	12	15	13	13	11	16	10	10	13	12	13	8	13	13	16	15	15	7	6	4	15	12	9	12	12	16	10	9	15	18	13	7	8	8	5	7	16	12	15	9	16	23	12	19	20	18	12	15	10	5	5	6	7	9	11	11	11	7	18	10	20	12	11	8	17	8	9	8	11	11	12	28	23	10	23	7	14	18	15	24	20	13	22	17	8	18	7	14	6	13	20	7	13	22	18	11	31	17	15	14	9	18	19	18	12	18	17	28	12	14	32	27	15	6	15	17	11	3	10	18	14	13	2	27	13	5	14	13	1	12	17	33	19	18	14	19	6	6	11	15	8	16	8	11	18	21	9	23	29	16	24	19	16	37	15	18	21	22	31	6	12	45	24	12	8	12	11	10	15	12	13	14	14	15	9	13	13	20	22	16	14	20	19	16	20	17	3	6	9	25	9	13	13	10	20	25	9	19	19	10	12	11	8	6	3	9	8	26	17	16	8	11	6	17	18	12	15	3	10	11	7	11	23	12	27	18	15	3	12	2	11	12	15	7	14	10	7	6	28	22	18	21	13	19	7	8	12	13	13	15	7	18	7	0	4	20	27	7	25	17	17	12	21	26	15	17	16	9	12	15	13	10	25	19	17	14	12	24	14	14	12	20	27	28	3	5	14	16	14	10	9	13	9	17	19	31	20	2	16	10	23	29	10	15	20	11	10	10	9	24	29	28	20	28	10	4	6	27	18	35	26	14	9	30	27	39	40
+Trifluralin	10	6	6	8	11	7	5	11	9	13	18	13	9	2	8	7	5	6	7	7	4	3	15	6	13	13	13	17	19	29	9	9	23	11	20	14	52	13	5	10	16	15	25	4	30	28	28	26	26	8	6	15	20	20	10	11	16	12	17	20	18	15	13	11	19	14	12	16	18	17	10	15	13	18	20	18	5	2	14	19	12	11	19	13	24	17	21	21	31	16	15	11	21	12	11	8	14	21	19	19	30	19	28	21	32	8	9	8	6	5	6	4	9	8	6	4	3	6	5	22	13	4	2	20	9	21	19	11	11	11	43	25	7	13	8	18	18	19	14	16	8	19	10	5	11	14	23	3	9	12	3	6	12	12	11	26	22	22	23	9	30	29	21	20	22	22	46	18	22	51	45	17	11	18	18	8	4	10	20	16	15	8	16	10	20	23	16	1	14	20	40	16	23	7	20	9	7	14	13	11	16	12	12	18	29	5	17	32	22	35	28	26	32	21	23	27	25	42	7	23	24	66	6	15	17	14	14	19	15	16	17	17	16	12	16	21	21	26	23	20	33	18	13	23	24	7	5	7	27	16	23	22	12	20	28	2	15	7	15	6	10	3	2	5	8	3	35	20	24	9	3	7	35	15	6	22	6	2	9	8	21	39	10	29	22	20	21	17	1	8	23	12	6	19	15	3	3	46	34	24	27	20	13	4	5	6	10	22	25	16	14	14	4	6	20	20	13	13	10	27	8	25	35	10	28	19	12	13	21	30	17	21	13	14	9	17	37	9	13	7	21	36	19	6	7	16	15	15	14	23	13	11	30	38	45	26	6	21	12	33	38	25	26	23	16	23	18	20	37	40	53	32	37	5	6	6	32	43	51	42	11	5	44	37	56	49
+2,2',3,4,4',5',6-Heptabromodiphenyl ether	8	6	6	7	9	8	6	6	6	6	8	7	10	6	6	7	5	6	6	6	8	10	19	7	12	20	7	20	12	19	6	47	22	9	24	7	19	9	4	21	38	18	45	47	16	19	19	18	20	26	19	16	8	14	15	14	18	14	29	32	37	17	15	14	22	14	15	27	30	26	20	31	21	17	16	16	12	10	1	12	21	17	14	13	11	6	9	17	20	29	5	4	17	2	5	22	17	16	13	19	26	8	13	11	16	26	37	42	38	18	24	28	18	16	26	54	50	76	40	72	58	46	49	61	37	51	43	21	9	8	88	8	7	21	8	9	8	10	22	17	15	15	11	12	11	5	9	3	13	16	4	11	18	17	12	24	4	3	4	4	4	44	40	36	63	48	50	44	48	52	55	19	0	14	15	7	3	8	12	8	10	3	10	12	8	5	10	0	11	8	24	13	7	6	14	6	5	8	11	6	11	6	7	8	16	7	19	19	7	10	33	14	22	12	11	12	31	12	3	10	12	6	186	10	11	17	16	19	17	38	37	39	25	17	49	31	52	52	45	28	11	16	10	17	17	0	6	5	16	9	10	10	6	12	20	8	16	13	7	7	8	6	3	3	6	7	37	17	16	7	6	5	3	14	4	11	6	7	12	9	7	18	10	17	4	6	7	12	0	6	11	14	4	7	6	6	3	17	4	10	6	11	11	5	5	6	11	12	5	7	7	2	0	2	11	13	5	6	23	11	16	15	15	7	22	6	9	13	8	8	4	14	16	13	5	8	47	7	7	9	13	27	8	1	8	11	12	10	11	5	12	13	8	19	18	16	8	6	6	16	19	6	5	10	6	7	7	14	21	14	13	16	17	4	4	5	18	6	13	13	6	8	15	9	27	24
+2-Chlorobiphenyl	4	7	6	15	18	17	16	10	9	9	13	7	5	8	8	7	5	7	7	7	5	5	13	7	11	12	16	12	15	17	10	15	18	10	24	11	27	10	3	18	13	22	12	1	14	13	12	12	13	8	8	17	14	13	15	22	16	13	15	13	14	19	19	18	17	15	12	14	16	14	10	11	11	12	14	12	9	3	7	20	12	9	15	16	14	9	17	19	21	18	12	6	14	8	8	9	8	16	16	18	25	12	12	16	17	17	21	21	17	18	15	16	17	17	18	14	14	19	14	25	9	10	10	16	11	6	8	5	9	4	25	12	10	10	11	16	16	14	15	15	8	17	13	8	9	6	12	3	6	11	5	6	12	8	9	19	14	13	16	6	19	25	14	19	22	21	26	16	21	19	24	21	9	14	13	7	7	9	14	17	16	5	11	11	13	10	9	3	10	15	24	9	19	14	20	9	8	19	19	16	22	15	20	10	24	5	15	17	6	14	17	22	11	10	6	12	19	18	3	8	8	15	10	34	29	24	23	21	21	16	15	15	17	15	14	18	26	27	27	17	13	14	12	10	15	7	5	5	22	9	16	15	7	9	21	9	10	10	12	7	6	7	1	3	11	3	22	16	22	7	5	6	22	13	11	16	5	6	9	8	5	19	6	17	11	6	10	16	1	5	16	15	5	9	6	5	3	18	22	8	13	5	17	4	5	7	13	12	13	8	13	1	2	4	5	10	15	16	13	9	10	11	17	7	9	10	4	12	6	16	10	18	7	6	5	15	18	3	7	10	16	24	14	5	5	3	5	12	12	9	6	8	13	17	23	19	2	14	6	20	24	18	13	15	6	14	12	17	19	23	22	22	22	10	4	3	21	15	23	19	14	2	19	20	24	22
+2,3-Dichlorobiphenyl	5	9	6	13	14	17	15	7	6	12	12	11	8	7	12	10	9	10	10	10	5	5	14	7	13	13	12	18	6	18	7	15	22	12	28	15	23	9	3	24	17	33	20	3	18	19	19	18	19	15	13	25	16	15	17	31	24	20	21	18	21	29	27	26	24	21	19	22	21	22	14	19	12	12	17	13	9	5	4	19	13	13	18	16	12	8	15	20	24	25	11	4	13	6	6	14	11	20	16	17	23	16	20	17	20	23	24	22	19	22	18	21	20	16	19	20	15	26	18	30	16	13	13	23	14	9	11	11	12	8	32	7	8	14	10	15	6	9	15	19	11	15	12	7	10	5	11	4	9	14	4	10	11	5	12	14	11	9	11	3	14	35	22	29	34	26	33	24	30	30	32	25	16	17	16	7	5	13	13	13	13	5	11	10	11	16	11	4	14	17	28	16	22	10	21	8	6	16	20	14	20	17	19	16	28	5	14	22	5	26	19	26	23	14	11	12	27	21	5	8	12	17	11	29	43	39	36	31	32	23	22	23	25	25	20	25	33	32	33	24	13	11	11	11	15	2	7	13	21	16	14	13	9	12	23	3	13	8	7	8	6	5	2	4	14	7	30	15	21	12	8	8	17	11	8	17	5	9	11	4	7	20	6	23	8	5	10	21	3	8	22	18	4	7	5	4	2	23	19	10	8	4	15	6	4	9	22	11	11	12	12	3	2	5	9	12	11	15	16	16	7	18	17	8	19	16	9	14	7	13	12	19	8	6	11	14	22	2	9	12	20	28	17	6	8	8	13	13	16	14	10	9	16	22	14	28	2	12	8	18	31	17	16	18	10	14	12	17	23	27	30	21	27	5	3	2	25	13	24	14	10	1	21	16	26	22
+2,2',5-Trichlorobiphenyl	8	8	7	11	11	15	12	7	6	8	13	14	8	10	11	12	9	9	10	10	7	6	18	6	10	14	8	18	6	20	7	25	25	11	39	12	22	8	2	30	28	45	29	6	28	26	27	26	28	26	21	35	14	14	22	40	39	37	34	27	29	50	47	41	39	35	36	34	35	35	25	28	15	19	16	16	8	7	3	13	15	17	14	14	12	9	12	16	22	22	8	4	17	9	11	19	14	19	17	20	27	18	19	15	21	28	26	25	24	25	24	23	19	22	24	23	14	25	19	29	19	15	12	22	13	16	14	10	11	9	39	6	4	17	9	15	6	7	16	19	15	13	11	7	8	4	10	2	7	12	5	10	10	8	10	17	11	8	12	5	12	47	24	32	42	31	42	33	38	41	43	32	15	20	18	4	4	8	15	10	12	3	11	8	7	11	10	3	9	16	31	16	20	11	16	5	4	12	18	11	14	13	14	11	33	5	16	23	6	16	24	26	26	14	16	14	29	14	3	12	11	14	17	24	39	58	50	53	48	32	30	31	39	39	30	39	38	36	40	37	11	13	11	15	20	0	7	13	25	13	12	11	12	15	24	4	13	10	11	6	8	5	4	3	10	6	38	14	19	11	7	9	16	10	6	15	4	7	9	5	9	31	8	24	7	5	13	18	1	6	24	19	3	8	3	3	3	24	22	14	10	6	15	4	4	8	23	12	7	16	11	6	1	3	8	12	11	14	15	17	9	19	20	10	16	10	15	21	8	16	16	21	9	8	7	17	30	4	10	12	21	38	20	5	10	10	13	13	12	19	8	7	17	25	15	31	4	15	9	24	33	13	21	24	17	8	16	13	19	24	32	21	26	6	3	2	29	15	25	18	7	1	18	14	28	24
+2,4',5-Trichlorobiphenyl	5	6	6	11	10	14	12	7	6	7	12	12	8	7	8	9	6	6	7	7	6	6	16	5	10	12	8	17	4	20	5	22	23	11	37	11	19	8	1	27	25	42	26	3	25	23	24	23	25	24	19	32	12	12	21	39	36	35	31	25	27	44	42	35	36	34	34	32	32	33	24	27	15	17	15	15	6	7	3	12	15	16	13	13	10	8	11	14	19	18	7	4	14	8	11	16	13	18	16	17	24	16	18	14	20	26	25	23	23	25	23	22	19	22	23	22	14	23	18	26	19	15	12	20	11	15	13	10	11	9	37	6	4	15	9	15	5	6	13	16	13	10	9	6	6	4	10	2	7	11	5	9	9	6	9	14	11	7	11	4	11	44	23	30	38	27	38	28	33	38	39	29	13	19	16	4	4	8	15	10	12	3	10	8	6	9	8	2	9	15	30	13	19	10	16	5	4	12	17	11	14	11	14	9	29	5	14	22	5	13	22	25	24	14	15	14	27	13	3	12	10	14	16	23	36	50	50	46	45	29	28	29	36	37	28	37	35	33	35	35	11	12	11	14	18	0	5	12	24	12	12	11	11	13	22	3	12	10	11	6	8	5	4	3	8	6	35	14	19	11	7	8	15	9	6	15	4	7	8	4	8	29	8	22	6	4	11	16	1	6	23	15	3	6	2	3	3	21	20	12	8	5	13	4	4	8	21	12	7	16	9	6	1	3	8	12	11	11	13	16	8	18	19	9	16	10	14	20	8	15	13	19	8	7	7	16	27	4	10	11	19	34	17	4	8	9	12	10	9	16	6	5	15	23	15	28	4	14	9	22	31	11	17	21	16	8	15	12	15	22	30	19	22	6	3	2	28	15	24	18	6	1	18	14	26	21
+2,2',3,5'-Tetrachlorobiphenyl	8	7	6	9	9	13	9	7	6	10	12	11	7	10	11	11	9	8	9	9	5	6	20	6	9	17	8	20	10	22	8	30	29	10	43	9	25	10	2	30	50	48	41	12	43	38	40	38	38	33	29	42	11	18	32	39	61	50	52	51	53	67	57	51	68	50	52	55	58	57	46	50	28	27	16	21	9	10	2	13	21	22	11	13	15	13	12	15	22	25	10	6	17	13	15	28	17	17	18	26	30	19	24	22	22	36	34	28	23	28	27	30	22	28	31	25	17	34	23	34	20	19	17	26	15	25	23	15	11	12	54	9	6	18	8	21	7	10	18	26	15	14	13	8	14	2	8	3	5	10	5	11	11	12	13	20	9	7	10	3	8	61	27	49	57	46	61	49	51	60	62	38	15	27	21	5	3	13	10	6	8	0	12	10	8	16	13	2	9	21	37	19	26	12	16	7	5	13	18	11	11	13	12	14	41	5	22	28	8	22	32	24	27	19	22	16	34	16	3	14	15	19	19	21	31	53	46	81	61	54	54	53	69	51	42	64	51	53	57	61	14	15	13	18	26	2	9	15	27	12	12	12	20	21	32	7	21	13	10	6	16	5	4	4	14	6	48	26	23	8	6	8	13	13	5	15	3	8	11	7	12	35	16	23	11	10	15	16	2	6	30	22	4	11	3	4	3	21	15	14	15	8	12	3	5	10	28	12	10	11	9	4	1	3	8	16	14	11	17	21	12	19	17	10	24	13	18	22	18	17	14	18	11	10	7	18	41	5	14	17	21	46	20	2	8	18	22	11	13	18	10	10	16	25	20	37	8	15	8	28	43	16	24	27	19	9	14	18	27	29	36	18	26	9	3	2	32	12	24	21	9	5	22	15	28	24
+2,3',4,4'-Tetrachlorobiphenyl	6	7	4	9	9	13	9	7	6	8	8	10	5	9	9	9	8	7	8	8	4	5	14	5	10	15	6	16	6	20	5	24	23	7	36	7	16	7	1	25	38	44	30	6	35	32	33	33	33	26	25	38	11	16	24	38	51	46	41	40	40	58	50	48	55	47	45	43	45	44	37	38	25	25	12	17	7	9	2	10	19	22	11	11	9	7	11	12	21	20	7	5	16	10	14	22	15	17	16	25	25	17	19	17	18	28	27	23	19	23	20	23	17	22	27	23	15	27	19	29	20	17	14	19	13	19	18	13	9	9	43	3	4	16	8	17	7	8	14	19	11	10	8	5	7	2	7	2	5	9	5	7	10	8	8	13	8	3	5	2	5	49	21	40	47	40	46	35	37	47	47	33	11	23	17	3	4	11	7	4	5	0	10	8	8	11	10	3	6	18	32	12	20	10	14	6	4	11	14	9	9	10	10	11	39	4	16	22	6	13	25	20	21	16	16	14	26	10	1	12	12	15	17	21	32	48	45	61	63	43	42	41	56	49	33	51	41	45	45	48	12	11	8	14	21	1	5	9	20	10	11	10	19	17	24	3	14	11	9	6	15	4	3	3	9	4	39	23	20	7	5	6	12	12	3	11	3	7	9	5	10	30	15	23	10	7	15	14	1	4	22	20	4	6	2	4	3	17	16	12	12	6	11	3	4	7	22	12	9	6	7	4	1	2	6	15	12	9	14	15	10	16	16	9	19	9	16	20	16	15	10	16	7	7	6	14	33	5	12	12	22	41	18	2	5	17	18	10	12	16	9	8	16	20	10	32	5	13	6	23	39	13	20	19	15	7	13	18	19	24	28	16	23	6	3	2	23	10	19	13	6	1	14	9	24	18
+2,2',3,4',5,5',6-Heptachlorobiphenyl	6	9	7	5	7	8	5	5	5	7	10	10	9	8	9	9	10	9	11	11	2	4	17	7	8	14	9	16	7	17	15	38	28	9	41	8	25	11	4	29	85	30	86	29	32	29	31	28	29	41	40	34	6	9	27	25	65	50	76	73	104	46	42	40	70	49	51	79	83	81	56	98	13	14	13	21	7	3	2	9	23	24	8	10	16	11	10	11	23	41	8	8	19	9	12	15	10	16	20	28	29	12	19	14	17	57	58	59	37	29	29	36	27	27	34	53	33	43	29	58	35	21	24	45	24	43	35	16	14	8	68	13	7	17	10	21	5	9	14	18	12	16	13	12	14	4	6	3	6	9	6	8	6	7	11	15	4	6	7	2	7	64	32	56	70	65	83	52	57	67	84	25	9	13	12	4	3	9	7	8	8	1	8	7	13	14	7	3	7	13	33	19	25	10	19	8	6	10	17	7	11	9	8	18	33	5	16	22	7	14	45	26	25	20	14	14	31	13	4	11	13	16	38	16	23	32	29	54	43	128	114	114	69	58	112	90	88	77	76	88	12	7	9	20	26	5	11	11	21	16	6	5	13	18	29	10	12	15	4	9	10	3	3	5	17	5	49	23	23	6	3	5	11	9	9	13	6	3	7	3	8	27	11	22	10	7	12	15	5	5	26	19	6	10	6	5	5	17	18	11	12	6	15	3	7	8	28	18	10	6	11	3	3	5	8	15	12	13	13	18	12	12	15	10	11	11	19	13	10	14	11	18	9	8	4	21	51	6	13	17	18	48	16	1	12	15	20	10	12	16	12	13	11	26	22	29	12	13	4	27	30	14	13	15	12	15	8	17	23	27	32	14	26	8	4	4	28	8	13	18	10	4	18	14	21	15
+2,2',3,4,4',5',6-Heptachlorobiphenyl	7	8	8	6	8	7	5	4	4	7	10	10	9	5	6	7	9	8	10	10	3	5	19	6	7	15	9	16	8	19	14	40	29	9	40	8	26	11	4	29	95	29	87	32	31	27	29	27	27	40	41	33	5	8	27	23	67	51	84	77	112	45	42	39	74	51	53	81	86	84	59	105	14	14	14	26	8	4	3	10	26	24	9	14	18	12	10	14	27	41	8	8	15	9	11	16	10	17	21	28	30	14	18	17	19	55	57	64	37	30	32	39	30	26	32	54	32	45	26	54	35	21	21	46	23	43	34	16	15	10	66	13	7	18	8	21	5	8	16	20	12	16	13	12	15	3	6	3	6	9	7	10	5	9	11	17	4	6	7	2	6	65	32	59	71	68	83	51	56	68	87	25	10	15	11	6	2	10	9	9	9	0	10	9	10	14	9	1	5	12	32	19	22	10	17	8	7	9	16	8	10	9	8	16	29	6	18	24	5	16	45	28	25	21	14	13	33	14	5	11	14	17	37	15	22	30	28	54	42	114	130	126	75	60	115	95	88	81	81	93	11	9	9	19	25	4	8	11	21	18	6	5	12	17	31	9	13	16	5	8	10	5	3	4	15	6	44	25	20	5	2	5	10	10	6	14	6	4	6	4	7	29	11	18	10	8	13	13	6	5	27	17	5	11	5	5	5	16	16	10	13	7	10	3	8	8	28	15	9	5	10	4	1	3	9	16	10	10	13	17	14	12	12	11	13	13	21	12	11	13	11	15	12	11	3	18	50	6	15	19	17	49	16	0	14	13	17	8	10	19	10	12	11	27	25	26	11	14	3	26	29	15	12	13	11	13	7	15	21	28	34	12	25	9	5	4	29	6	15	22	11	5	22	18	21	17
+2,2',3,3',4,4',5-Heptachlorobiphenyl	7	8	8	6	8	7	5	4	4	7	10	9	10	5	6	7	9	8	10	10	3	5	20	6	7	17	10	17	9	19	14	42	28	10	45	9	26	11	4	30	96	30	90	33	31	27	29	26	27	42	41	33	5	8	32	24	66	50	82	80	111	43	41	39	72	50	52	83	84	86	59	108	13	14	13	25	8	4	2	10	28	24	9	13	17	13	11	15	29	43	9	7	16	9	12	16	11	16	21	29	31	14	18	17	20	56	62	64	39	32	33	41	31	28	33	57	36	50	26	58	36	20	22	49	23	43	37	18	15	10	71	13	8	19	8	20	5	8	16	20	13	17	14	13	15	4	7	3	6	9	7	10	6	9	11	17	4	6	8	2	7	68	34	66	77	74	89	52	60	72	91	25	11	13	11	7	2	9	10	10	10	1	10	9	10	14	9	1	7	12	34	20	21	10	17	8	7	9	17	8	10	9	8	16	30	6	18	23	6	16	46	30	25	21	15	14	36	15	5	12	14	17	39	15	23	31	29	53	41	114	126	135	76	62	118	97	92	83	85	93	12	8	9	19	26	4	10	11	22	16	6	5	13	18	33	10	12	17	4	8	10	5	3	4	14	6	48	27	20	5	2	5	10	10	6	15	5	4	6	4	6	30	11	19	10	8	13	13	6	5	27	19	6	12	5	5	5	15	16	9	12	7	11	3	7	8	30	16	10	5	10	4	1	4	10	15	10	11	13	17	16	12	12	11	13	13	18	14	11	12	11	15	12	9	4	19	54	6	15	20	16	48	15	0	15	15	19	8	10	20	10	12	10	26	26	25	11	14	4	29	29	16	11	14	12	13	8	16	23	28	34	11	26	9	5	4	28	7	15	21	10	5	21	16	22	18
+2,2',3,4,5'-Pentachlorobiphenyl	6	4	6	5	6	11	5	4	4	6	9	9	5	7	5	5	5	4	5	5	2	5	14	4	8	13	6	20	10	21	12	28	29	7	36	10	24	10	4	26	61	37	55	19	38	36	35	34	35	35	34	42	7	11	34	31	72	55	69	70	69	59	51	46	78	54	58	70	68	70	52	66	21	17	15	23	13	12	5	11	31	29	11	10	18	12	8	12	19	28	8	7	18	9	12	27	17	18	19	26	29	22	23	20	22	39	41	36	23	27	24	31	23	26	33	27	19	37	23	39	25	17	15	26	17	26	25	17	14	12	51	9	6	19	8	19	9	12	19	22	16	15	13	9	16	3	7	4	6	9	6	11	9	11	12	20	9	7	10	3	7	58	25	52	64	56	62	46	49	62	60	36	12	19	14	5	4	11	10	8	8	0	11	10	8	13	9	2	4	13	31	15	20	10	15	6	4	9	14	7	8	7	7	11	37	5	20	24	5	18	37	21	26	19	17	14	29	12	5	12	15	16	25	17	25	39	36	69	56	69	75	76	87	65	58	76	50	63	68	76	12	15	12	17	23	1	8	11	24	15	6	6	16	17	28	8	17	15	7	7	17	7	4	3	13	6	40	23	21	5	5	5	9	12	5	12	4	5	12	5	11	27	19	21	9	11	13	16	2	8	28	17	4	12	4	4	5	19	15	13	16	10	11	2	7	10	25	13	7	7	8	6	1	3	10	18	12	10	16	19	13	16	13	11	18	16	17	16	16	17	11	18	12	11	6	13	43	7	14	18	20	45	18	0	12	17	16	8	8	22	8	9	12	25	22	33	11	13	6	22	33	16	16	21	16	10	11	13	20	25	32	14	24	8	5	4	25	10	19	23	9	5	24	15	26	21
+2,3,3',4',6-Pentachlorobiphenyl	4	3	4	5	5	10	5	4	4	4	6	7	4	5	4	3	3	3	3	3	2	3	11	3	7	8	4	16	8	14	6	22	23	4	32	8	14	9	2	22	52	37	45	13	31	28	28	28	28	29	30	37	5	10	29	32	59	53	55	55	57	47	46	43	62	51	53	56	58	57	47	55	16	11	11	18	8	7	3	9	21	22	8	7	12	8	5	8	14	21	7	6	16	9	12	18	13	13	15	20	23	16	16	14	15	35	33	27	19	21	20	25	17	25	31	22	18	31	20	31	20	15	12	18	13	22	23	13	11	9	42	5	3	15	7	15	7	9	12	19	12	11	8	6	9	2	5	2	5	7	5	7	7	6	8	14	9	7	9	2	6	49	19	42	52	45	48	37	40	50	48	31	10	16	12	3	4	7	8	8	7	0	8	7	8	7	8	2	4	11	23	8	17	9	12	4	3	7	12	6	7	6	6	7	34	4	15	19	5	12	30	16	21	15	13	14	21	8	5	9	9	12	17	15	25	39	37	51	49	58	60	62	65	68	48	57	38	50	52	57	10	10	7	10	17	1	5	10	19	12	6	6	13	14	21	4	14	12	4	6	13	4	3	2	9	4	36	18	18	5	5	5	8	8	3	7	4	3	7	3	7	22	14	21	8	6	8	11	2	4	21	13	4	7	2	2	3	12	13	10	11	6	11	3	6	8	22	14	6	7	7	4	1	3	7	16	10	10	12	15	11	14	12	10	14	12	16	12	10	13	11	17	7	6	4	11	37	5	12	14	19	39	16	0	10	14	13	6	6	16	9	8	9	17	14	28	11	10	4	21	30	11	13	18	17	9	11	12	14	23	24	11	22	6	4	3	21	7	16	16	6	2	17	11	20	15
+2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	6	11	8	7	10	6	4	5	4	7	11	9	11	6	7	8	10	10	13	14	4	6	17	8	6	15	10	13	7	12	15	39	27	12	36	10	22	11	4	28	96	29	95	46	17	18	19	16	19	43	42	29	3	16	30	24	52	42	68	66	108	35	31	31	56	39	41	67	80	69	46	97	12	12	8	24	12	6	2	7	20	17	7	9	15	12	11	13	22	48	8	8	17	7	11	16	10	15	13	26	27	10	16	17	20	59	73	60	48	32	42	44	31	37	43	61	44	65	26	61	39	33	42	56	24	57	43	22	12	9	85	12	8	14	8	18	6	6	18	17	12	20	13	15	15	6	9	2	5	9	7	9	6	8	13	15	3	4	6	3	8	69	37	68	90	74	104	65	75	70	92	21	11	12	20	8	3	15	10	9	11	2	9	8	9	17	10	1	9	10	29	18	20	6	15	8	7	8	14	7	9	9	8	17	26	6	16	17	8	16	54	28	25	18	12	16	33	16	4	12	13	16	49	14	20	30	28	42	33	112	115	118	58	48	181	82	93	70	69	77	9	8	9	14	27	4	9	6	16	17	9	8	13	20	31	9	9	16	4	5	14	6	2	3	13	8	46	24	18	4	2	6	7	5	5	13	5	6	3	4	4	21	14	14	9	6	13	12	5	5	29	16	7	11	8	5	6	11	17	6	13	7	6	3	5	8	26	14	12	8	6	3	1	2	7	15	8	7	11	15	13	8	9	11	11	12	22	8	9	8	11	11	12	10	4	21	60	7	14	21	14	41	9	0	10	15	15	9	10	23	8	11	11	24	25	21	8	12	4	28	24	13	14	12	9	9	6	14	16	21	29	11	21	7	2	4	21	6	11	17	12	6	16	13	20	17
+2,2',3,5,5',6-Hexachlorobiphenyl	7	7	7	8	10	10	7	5	5	7	9	9	7	8	7	8	9	8	9	9	3	6	17	6	7	16	10	18	8	19	12	29	30	9	38	8	26	11	4	28	78	38	74	25	43	39	40	39	40	37	37	38	5	9	31	31	66	47	84	99	91	54	48	45	73	49	50	87	87	92	63	87	12	12	13	26	9	6	6	13	27	22	11	13	20	14	10	12	22	36	9	7	16	9	10	20	14	16	19	27	30	18	20	18	20	56	59	51	28	28	29	29	26	25	37	37	29	37	24	42	33	21	20	33	26	30	31	13	17	11	58	12	8	18	10	19	5	10	17	19	15	14	13	11	15	2	6	3	3	8	7	10	6	10	12	16	5	6	7	2	6	62	31	58	70	64	75	54	60	69	76	35	10	17	11	7	4	15	9	8	7	1	9	8	11	16	9	2	6	14	38	16	23	12	18	8	7	11	17	8	12	7	9	14	36	5	19	25	5	14	41	25	26	21	13	13	30	13	5	12	13	21	31	18	25	39	37	64	51	90	95	97	76	57	82	112	74	80	79	104	11	9	11	16	25	3	7	9	21	16	5	5	15	19	28	8	16	15	6	10	10	4	4	7	14	6	48	26	21	5	3	6	11	11	6	13	5	3	9	4	10	31	11	22	10	8	12	16	5	6	27	18	5	9	4	5	4	14	15	10	15	8	12	3	8	8	28	14	8	8	10	5	1	3	9	19	12	10	12	17	13	13	15	10	13	13	21	17	14	19	12	20	10	9	6	16	41	6	16	17	19	48	18	1	12	18	18	8	9	22	10	12	11	28	24	31	13	14	6	24	31	17	15	18	16	11	12	15	21	23	40	12	24	8	4	3	25	7	14	23	11	4	24	18	21	17
+2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	9	6	5	8	8	12	8	6	7	8	15	11	6	5	5	6	5	5	6	6	6	4	16	5	9	17	17	30	15	24	16	40	35	11	40	12	37	15	3	35	71	40	75	53	30	24	28	27	25	40	40	32	19	39	29	31	45	36	65	71	83	42	40	32	50	34	35	63	74	66	49	84	28	25	11	22	14	7	2	13	29	30	13	10	17	12	14	15	29	63	11	6	18	13	16	27	18	21	21	37	43	16	22	19	27	54	68	58	61	47	58	68	35	27	42	58	44	64	30	69	49	35	43	56	24	62	48	21	19	12	84	23	4	28	9	28	15	15	19	24	17	26	14	10	17	13	14	5	11	18	6	12	13	9	14	25	12	13	11	6	18	96	58	87	108	86	113	86	95	100	120	38	23	31	39	8	4	24	17	16	18	4	13	9	15	18	18	1	21	18	49	18	31	17	23	8	5	18	24	13	25	16	18	20	29	8	26	31	16	32	68	36	45	28	26	22	43	24	2	17	20	21	52	26	33	38	35	51	41	88	88	92	50	38	93	74	187	139	128	71	11	13	12	22	30	7	12	14	27	21	13	12	16	26	39	10	14	18	11	14	18	8	5	5	14	6	64	34	34	7	6	6	19	15	7	18	6	9	8	8	9	31	19	31	20	5	19	24	3	6	42	21	9	12	8	5	8	28	25	17	16	5	15	3	8	12	28	16	12	11	12	5	2	4	11	21	14	15	15	25	23	20	18	14	19	17	29	22	10	19	21	24	13	10	10	26	47	3	14	22	28	46	21	4	9	12	19	15	12	20	27	14	26	41	35	37	9	19	9	31	50	22	15	16	12	18	13	25	26	26	42	12	29	9	2	3	35	8	23	32	13	5	29	21	39	33
+2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	10	4	4	9	9	12	10	6	6	10	13	12	5	7	7	5	4	4	4	4	9	8	25	8	15	17	13	33	19	28	13	39	36	11	50	11	43	18	4	42	66	35	62	47	44	35	37	38	34	41	37	30	24	48	34	28	57	46	69	77	78	44	42	35	61	44	46	72	75	74	53	73	31	27	23	32	21	11	3	15	36	31	16	14	23	16	19	22	43	61	10	8	22	10	11	31	20	31	31	42	58	23	30	34	31	51	54	56	58	54	54	70	44	29	35	60	44	76	42	78	53	33	37	58	20	78	68	28	23	20	123	23	8	29	12	30	18	19	26	27	18	26	17	7	17	10	16	5	11	19	6	12	14	11	20	30	15	16	13	8	18	108	84	98	102	100	126	96	108	131	121	41	27	41	49	12	6	37	17	16	18	3	20	14	17	19	21	2	22	20	58	16	34	18	31	8	6	21	24	15	25	18	20	18	40	7	29	37	16	38	64	36	47	33	29	24	51	30	4	17	22	26	52	27	32	36	33	53	45	77	81	83	63	50	70	80	139	192	140	76	17	15	14	27	39	8	9	15	35	22	13	13	20	27	42	9	19	18	12	15	19	8	7	6	15	9	77	36	37	11	6	6	22	16	9	18	6	10	10	11	12	40	20	34	23	7	20	21	4	7	45	17	9	12	10	5	8	34	29	24	25	10	18	3	8	13	32	23	18	14	14	7	3	6	15	30	17	16	23	34	25	22	24	14	28	20	27	28	16	25	22	28	18	15	12	33	58	6	17	25	31	54	25	5	15	18	25	16	12	28	28	19	32	46	39	39	16	18	8	32	55	29	17	27	23	21	17	29	34	31	46	18	30	9	3	5	42	13	32	40	15	5	34	25	45	39
+2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	9	5	4	6	7	11	8	5	6	10	16	10	6	7	6	5	6	5	6	6	8	6	22	7	12	15	15	30	17	22	16	36	32	11	41	9	39	14	3	38	68	40	59	44	39	32	35	35	32	37	34	33	17	36	32	31	61	48	68	72	77	46	45	38	67	47	47	70	72	73	53	74	30	27	13	30	19	12	3	12	31	28	13	11	19	16	17	17	31	51	9	5	18	12	13	30	18	25	26	38	44	16	25	25	28	49	52	56	52	53	55	67	35	28	34	50	39	66	34	69	39	28	38	44	20	64	53	22	20	15	100	19	6	28	9	25	15	16	23	25	19	24	14	7	19	7	12	4	11	18	3	12	13	12	15	29	11	13	11	8	16	96	64	88	97	90	105	78	88	106	114	43	21	35	37	9	4	25	10	12	13	3	14	10	14	16	14	1	22	15	46	19	30	17	25	7	5	19	25	12	22	13	17	17	37	8	29	34	11	34	60	34	39	27	26	19	44	25	2	14	16	23	45	27	33	40	35	57	45	76	81	85	68	52	69	79	128	140	164	76	10	12	11	23	33	6	11	11	30	19	12	12	16	26	35	11	13	18	13	11	14	7	4	6	14	8	64	31	32	8	4	6	18	13	7	19	5	9	8	9	8	37	14	28	18	7	22	22	5	5	43	18	8	13	4	5	5	28	24	17	20	7	14	3	8	12	31	19	11	12	12	4	2	5	11	18	16	17	22	28	23	20	15	9	20	15	29	21	14	20	19	22	12	10	8	28	54	5	16	22	26	52	21	5	9	15	22	13	13	18	26	13	24	42	35	37	12	18	8	30	47	25	14	23	21	19	12	23	25	28	43	12	28	11	4	4	39	9	23	31	14	5	31	24	40	35
+2,2',3,4,5,5'-Hexachlorobiphenyl	7	7	7	7	9	9	6	5	5	7	9	9	7	8	7	8	9	8	9	9	3	6	15	6	7	16	9	18	8	18	11	28	29	9	38	8	25	11	4	28	72	36	69	22	41	37	38	37	38	36	36	35	5	8	29	29	65	47	82	96	88	51	46	44	71	48	50	84	84	90	61	84	12	11	13	26	9	6	6	11	26	21	9	12	18	13	8	11	19	34	7	6	15	7	8	19	12	12	17	22	25	15	17	17	18	53	55	45	27	28	29	29	26	24	36	33	27	35	23	42	30	21	18	31	26	28	29	13	17	11	53	13	8	19	10	19	5	10	16	19	15	14	13	11	15	2	6	3	3	8	7	10	6	10	12	17	5	6	7	2	6	58	28	56	67	60	70	50	55	64	72	33	8	15	10	6	4	13	9	7	7	0	8	8	9	15	9	2	4	14	33	16	23	12	18	8	7	10	17	8	11	7	8	14	35	5	19	23	5	14	39	23	25	20	13	12	28	13	4	11	14	20	28	17	24	37	35	61	48	88	93	93	76	57	77	104	71	76	76	104	11	9	11	15	24	3	7	8	21	14	5	4	13	14	28	8	15	15	5	10	10	4	4	6	14	6	45	23	21	6	3	6	9	11	6	14	5	3	9	4	10	28	11	22	10	8	10	14	5	6	26	17	5	9	3	4	4	14	13	10	15	8	12	3	8	9	27	14	7	8	11	5	1	3	9	18	12	11	11	16	13	14	13	9	13	13	17	16	12	18	12	18	10	9	6	14	39	6	16	17	20	46	18	0	12	17	16	8	9	19	10	12	11	24	24	28	13	14	5	22	29	16	13	17	14	9	12	14	19	22	37	9	22	8	4	3	25	7	15	21	9	4	22	16	22	18
+Praziquantel	9	8	10	7	8	6	5	7	6	10	12	11	6	7	11	12	7	8	8	8	7	7	20	11	8	13	13	22	23	32	12	20	18	8	27	12	47	19	10	8	12	12	23	0	15	20	21	22	22	4	3	7	13	9	15	9	11	10	10	9	11	13	12	12	12	10	10	9	8	9	7	10	18	25	29	31	8	6	6	36	24	21	25	17	33	25	27	28	26	22	15	9	15	14	17	15	12	19	21	25	39	18	26	25	28	4	5	2	6	6	4	7	11	8	7	3	4	9	8	28	13	9	5	19	14	15	15	11	16	10	25	36	12	19	8	32	25	28	20	22	11	23	19	12	19	9	18	5	12	12	5	13	16	16	18	35	27	25	30	12	31	18	33	9	8	11	27	6	9	48	29	6	6	13	7	13	3	3	24	20	19	13	28	20	13	11	13	2	13	17	36	8	29	14	29	10	8	18	16	11	20	14	14	15	30	5	25	31	16	36	16	23	33	18	24	27	27	39	6	14	20	33	11	13	13	11	11	14	12	12	11	12	12	10	9	11	11	17	10	11	57	15	12	22	23	11	6	14	24	11	16	16	15	17	33	8	21	11	5	8	21	6	4	5	12	5	29	13	22	9	7	5	26	20	12	13	4	5	11	9	22	27	22	22	27	14	14	15	3	5	16	18	9	20	18	6	6	42	29	30	31	20	18	7	8	13	11	25	31	12	12	16	5	10	27	35	10	16	27	14	8	22	42	10	27	17	5	16	12	20	17	22	22	22	8	18	33	15	15	13	16	17	21	7	6	19	11	17	20	12	13	17	13	30	48	20	2	13	12	20	35	23	16	29	15	31	8	18	41	48	35	46	50	14	9	13	25	36	52	45	11	6	45	34	55	48
+Mexacarbate	5	5	4	9	11	9	6	8	7	7	10	8	5	6	7	6	4	5	5	5	4	4	11	2	15	14	12	25	20	24	15	19	16	12	19	17	36	14	11	12	10	12	12	2	15	9	9	9	11	3	2	10	17	14	11	11	11	10	10	10	9	12	12	11	13	10	10	12	9	11	8	8	19	25	21	17	16	15	5	14	15	16	18	17	20	11	11	17	26	16	6	6	11	7	11	24	22	20	13	18	31	17	20	22	26	6	5	4	8	8	7	10	9	6	5	6	4	5	5	23	12	8	4	18	12	14	13	9	11	9	25	24	11	26	7	13	23	25	26	23	19	28	19	8	21	12	14	6	15	20	10	17	23	20	21	33	25	27	29	7	33	20	16	13	11	11	26	7	11	31	28	12	7	15	14	14	6	8	15	14	12	6	21	16	9	11	10	0	9	12	29	13	23	8	18	3	3	11	17	5	13	8	8	12	25	3	29	29	17	23	14	24	28	19	19	17	18	28	6	11	19	18	16	14	11	13	12	15	11	7	9	8	15	10	8	9	13	15	12	9	15	39	29	21	17	8	7	8	28	18	16	16	9	7	25	10	29	16	16	10	13	12	2	5	12	12	25	23	28	13	9	9	26	26	9	22	3	14	23	16	11	23	14	28	18	19	2	10	1	13	20	5	3	22	17	4	10	28	16	25	13	22	18	5	6	10	10	6	16	7	16	8	0	2	24	21	5	17	21	13	11	22	25	10	28	27	10	13	24	21	12	23	22	22	13	10	28	13	14	19	19	12	22	8	2	7	9	6	11	10	7	9	18	22	35	14	5	11	8	14	22	16	11	14	10	21	6	13	21	26	22	26	29	8	2	5	19	19	32	36	14	11	37	31	39	38
+Aminocarb	3	2	4	9	10	6	4	5	5	6	7	6	3	2	5	3	2	2	2	2	3	4	10	2	11	9	10	19	15	21	13	14	11	5	13	12	29	11	10	9	11	10	10	2	13	8	7	5	7	5	1	6	13	6	11	9	10	7	10	11	9	9	10	8	12	7	7	11	10	11	8	9	18	21	16	15	13	11	3	10	13	13	17	15	16	11	10	12	22	13	8	4	7	5	8	21	19	15	12	12	23	12	13	15	16	7	5	3	4	6	4	6	6	6	6	5	3	4	3	15	9	7	3	15	11	10	9	9	11	9	17	20	9	22	4	12	19	21	20	14	18	22	15	9	18	11	14	6	14	18	9	14	20	17	19	25	20	23	23	7	27	20	14	12	13	8	21	7	10	26	23	9	5	7	7	11	7	6	16	14	14	3	18	11	8	8	10	0	7	7	20	11	19	7	14	3	3	10	17	7	13	8	9	9	18	2	20	18	14	17	9	20	19	13	13	11	18	22	3	10	16	13	10	12	11	11	11	13	8	9	9	9	12	7	9	11	12	14	11	11	12	29	29	21	13	9	5	6	19	12	10	10	8	4	19	11	23	12	16	8	12	10	3	2	9	10	21	16	20	10	7	6	20	22	8	21	1	11	15	16	11	17	13	23	12	14	1	4	0	9	16	6	1	14	11	3	8	20	11	16	10	13	12	6	5	10	7	4	8	3	13	7	0	2	20	16	3	14	14	13	11	18	20	9	22	20	10	12	21	20	9	19	18	16	8	5	22	12	10	16	16	7	18	5	3	4	5	2	8	7	4	5	10	16	26	13	3	10	3	10	16	13	10	7	7	13	5	13	18	19	15	14	18	6	2	5	14	12	24	26	11	10	26	22	29	29
+Isocarbophos	5	5	4	5	6	7	3	5	5	7	12	8	6	6	7	7	5	5	5	5	7	7	18	8	14	11	11	23	19	26	13	11	15	10	12	12	36	4	6	12	16	15	13	4	27	24	25	23	23	9	4	12	15	17	13	11	16	12	16	17	17	13	12	10	19	10	11	16	15	16	9	17	17	19	20	16	12	12	8	23	13	15	19	16	19	11	15	17	28	19	9	7	16	9	10	21	19	16	13	19	24	19	22	17	23	13	12	7	8	7	9	9	8	11	9	10	4	9	4	21	11	5	4	18	10	18	16	7	13	8	35	15	6	23	5	12	16	18	23	17	18	16	11	5	12	9	16	5	15	18	4	13	19	15	15	32	14	11	13	7	16	24	19	23	28	20	38	21	25	42	37	14	7	15	17	9	4	8	20	13	15	7	20	12	10	13	11	2	13	12	29	15	14	9	11	3	3	7	12	3	9	7	6	9	24	5	23	29	13	27	30	21	24	12	14	14	29	31	2	11	20	23	17	10	11	15	14	18	14	20	19	19	17	10	14	16	22	27	23	15	22	21	21	48	12	6	6	14	28	18	14	13	10	19	20	9	18	18	12	3	8	10	3	2	7	10	37	20	18	12	8	6	20	21	5	18	5	9	14	8	12	23	8	29	14	18	9	14	1	9	13	12	6	18	17	4	11	35	16	17	12	10	14	4	6	10	14	19	6	9	11	3	2	1	15	11	7	15	12	21	17	27	19	8	22	18	15	25	21	17	11	16	14	13	7	19	29	4	10	17	19	32	19	6	5	17	16	13	16	19	15	10	21	26	28	22	9	17	13	29	26	23	18	14	9	25	9	17	22	28	37	22	30	5	2	3	27	15	40	39	13	9	34	23	43	39
+Acephate	11	7	11	10	10	7	9	11	11	15	22	15	9	11	14	14	6	7	7	8	8	8	22	6	14	17	7	20	16	27	9	16	35	13	27	14	37	12	6	13	26	21	45	4	14	10	11	11	11	15	12	19	19	19	21	16	21	15	17	21	26	22	19	17	23	15	16	20	25	21	14	22	14	13	21	16	12	10	7	24	21	17	23	18	23	18	21	22	34	25	14	7	15	11	11	15	13	26	20	28	33	21	27	23	27	19	17	18	14	17	14	18	15	17	18	21	19	25	14	34	11	12	15	36	18	28	26	13	9	8	49	20	5	18	9	15	15	14	19	16	10	20	14	9	10	9	15	3	9	12	1	9	11	9	13	22	17	19	21	8	24	29	25	26	26	21	39	19	19	46	41	20	17	19	20	8	5	15	18	12	15	5	25	12	14	16	8	3	14	21	46	12	23	10	25	8	6	15	15	8	16	11	10	15	18	6	18	27	14	27	19	18	29	18	15	16	18	29	4	8	17	24	17	15	15	20	18	26	21	26	25	26	23	17	27	25	30	39	33	24	23	17	13	12	131	5	6	10	35	10	16	16	10	19	49	6	14	10	8	9	11	6	3	7	7	6	31	17	16	7	7	6	22	15	13	17	8	7	6	9	14	29	12	26	14	11	13	19	6	4	24	19	1	16	10	6	4	32	21	20	13	11	16	3	5	9	19	11	12	8	16	6	3	5	11	15	9	18	16	10	10	19	23	7	17	19	12	12	6	27	14	25	13	13	8	21	65	5	9	19	22	30	24	6	7	8	9	9	9	19	10	13	16	27	42	24	9	18	13	27	32	13	16	16	12	16	10	16	30	32	35	34	33	7	1	3	24	32	45	40	12	4	36	28	51	42
+Carbaryl	1	2	1	2	4	1	2	1	1	3	6	2	0	1	2	3	2	2	2	2	0	0	2	2	2	3	5	9	9	8	3	4	6	2	6	5	12	6	0	0	3	0	3	0	8	3	4	3	4	1	1	1	4	4	3	0	1	1	3	3	3	2	1	2	1	1	1	2	3	2	2	4	1	4	9	9	1	0	2	8	6	5	6	5	7	4	10	8	8	4	6	3	6	3	4	2	2	5	6	7	10	6	3	5	4	2	2	1	1	0	0	3	1	3	4	3	3	2	2	7	1	2	0	5	2	2	4	2	3	1	8	8	3	8	3	9	11	10	7	7	2	11	7	1	8	1	4	1	5	5	2	5	8	7	9	12	12	11	11	5	11	7	1	5	8	1	7	3	4	9	9	5	7	6	4	4	6	1	3	2	2	2	7	1	8	6	1	1	1	7	11	3	11	9	8	7	8	9	8	5	10	7	8	5	9	1	8	5	4	9	6	5	7	6	3	10	5	9	0	6	3	7	0	7	2	0	0	2	1	5	4	4	1	1	4	3	7	8	6	3	11	8	9	6	5	12	2	3	9	7	7	7	8	3	9	1	7	4	4	6	6	5	4	0	3	3	12	9	9	3	2	4	11	8	7	5	3	4	1	6	5	9	6	10	9	3	5	5	1	0	2	4	2	5	5	0	2	10	10	5	10	4	8	1	0	1	1	8	9	2	8	5	2	5	7	8	2	10	3	5	2	3	9	6	5	3	4	4	0	8	5	8	3	3	2	4	8	4	1	4	9	7	9	1	1	3	3	5	8	7	2	4	5	7	12	4	1	2	2	7	4	7	5	6	3	10	2	6	9	11	7	11	11	1	1	3	8	8	11	12	4	3	12	11	12	12
+Mevinphos	2	4	2	1	1	2	1	1	1	4	5	3	1	3	4	3	3	4	4	4	2	1	6	3	3	4	5	6	8	5	6	7	5	6	8	4	13	3	1	8	8	8	9	3	7	7	9	7	8	5	3	3	3	7	6	4	6	4	5	6	8	7	5	5	7	3	4	6	6	6	5	9	9	8	9	8	6	4	4	7	9	9	6	6	7	4	7	9	8	10	5	4	10	7	8	10	6	9	8	9	11	5	8	6	12	8	8	7	5	5	6	5	2	4	6	7	4	8	2	10	4	2	2	11	5	7	7	4	5	3	11	9	2	9	2	7	7	9	9	8	6	6	7	4	5	5	6	1	6	8	1	4	8	8	5	13	8	8	7	3	9	12	8	9	10	8	16	7	8	9	16	3	4	5	5	0	2	6	6	6	7	4	4	6	4	4	2	1	7	5	7	6	7	3	4	2	2	5	8	3	5	4	4	6	10	1	7	8	2	9	11	9	8	6	7	4	10	7	3	6	6	5	6	5	7	7	5	9	5	11	8	10	8	5	9	7	12	9	11	7	6	7	5	6	6	2	17	13	13	8	6	6	5	5	10	5	7	8	4	3	1	2	1	4	6	1	16	5	9	7	3	4	11	8	4	9	2	2	5	4	3	11	2	11	5	4	5	5	0	3	6	7	1	11	1	0	2	10	9	10	5	3	11	2	0	4	6	5	3	3	8	2	0	1	2	2	4	9	6	4	5	8	8	2	6	2	4	8	7	7	8	9	4	3	4	9	14	1	3	9	7	14	9	5	3	5	5	5	7	5	5	6	4	11	12	8	2	6	6	10	9	11	6	10	10	11	1	7	11	14	12	13	14	1	1	1	10	10	11	11	4	5	12	8	15	14
+Dicrotophos	2	5	2	1	1	2	3	3	2	3	9	5	2	5	5	5	4	5	5	5	4	5	12	7	4	2	4	13	7	15	9	11	14	6	13	6	20	5	4	7	12	14	13	1	9	9	9	9	9	6	6	9	10	8	8	11	13	9	9	9	10	13	13	10	13	10	10	10	9	9	9	10	8	13	14	8	10	6	5	14	12	9	11	8	7	3	9	13	9	10	4	4	10	7	8	14	13	14	11	16	13	7	12	9	13	9	8	7	5	6	4	4	7	11	10	5	6	7	4	18	6	5	5	13	9	6	8	4	9	3	14	15	3	13	5	8	9	11	7	7	7	7	5	5	7	6	6	2	10	12	3	8	8	9	5	11	9	8	9	6	11	16	14	10	16	9	18	10	12	22	24	11	3	7	9	2	5	7	9	11	11	2	7	8	8	6	4	3	6	8	19	4	13	11	9	4	3	6	14	5	11	5	7	8	13	5	7	19	2	17	16	11	15	9	12	5	19	13	3	5	9	7	5	5	13	13	12	15	9	11	11	11	11	10	6	9	14	15	11	8	14	8	6	14	10	3	13	27	18	10	8	7	8	9	10	4	12	6	7	6	2	1	4	5	7	3	22	10	11	11	5	7	10	6	11	9	4	3	5	4	8	13	3	15	6	2	4	9	2	4	8	9	2	8	5	1	1	19	17	12	2	4	16	5	3	5	9	10	3	8	14	1	1	3	2	3	5	17	6	5	5	17	13	3	13	9	9	10	7	12	11	12	3	2	6	14	16	3	9	6	12	19	14	2	4	12	14	9	15	13	10	10	11	16	19	12	1	7	11	13	16	15	12	17	13	20	4	15	17	24	20	18	22	3	3	4	15	15	20	17	5	4	17	13	25	18
+Monocrotophos	7	9	12	12	14	12	9	11	10	16	23	14	10	10	10	10	10	10	11	12	9	10	26	11	16	14	15	28	28	34	19	22	36	15	29	20	62	14	11	15	17	24	36	2	29	22	23	19	20	8	4	17	22	22	21	20	24	16	16	23	20	24	25	17	26	16	18	18	19	18	12	18	26	26	31	24	15	10	12	32	25	28	33	31	29	20	25	32	37	25	19	9	22	17	20	28	26	33	30	32	38	27	29	32	40	17	19	15	13	10	10	10	11	13	14	12	7	14	8	38	15	8	5	33	17	22	18	9	13	10	41	35	9	31	9	19	25	26	26	25	20	31	15	12	24	14	18	3	18	26	6	19	25	23	20	41	27	26	32	12	36	46	28	23	27	19	47	21	23	55	48	24	20	20	22	15	8	14	31	25	27	11	25	22	17	20	13	3	14	22	50	19	30	16	28	8	8	19	28	15	26	20	21	20	30	11	30	41	15	32	33	34	40	26	19	18	34	36	7	13	25	27	16	22	21	25	24	27	20	21	21	22	24	19	16	21	27	35	30	21	24	28	19	28	35	9	13	18	85	19	26	25	14	15	48	10	25	20	15	11	13	11	7	9	10	10	46	27	29	15	10	8	36	23	19	30	6	10	17	11	14	42	14	39	26	13	10	13	5	9	23	16	5	21	12	6	7	37	38	27	16	14	30	6	11	19	12	21	16	14	27	9	2	4	18	18	13	29	28	20	18	35	31	7	25	24	13	27	20	35	27	29	18	17	13	23	50	9	17	25	29	29	28	10	11	13	11	19	19	20	12	13	28	38	45	30	5	23	15	31	34	26	25	29	20	31	16	27	35	47	43	48	46	14	5	6	36	47	60	54	18	8	49	38	68	60
+Dimethoate	1	4	3	7	8	7	3	6	6	2	8	6	2	3	2	3	3	4	4	4	4	4	8	5	7	10	7	19	12	16	10	16	17	2	16	13	27	7	7	8	13	15	14	8	20	13	15	14	17	13	12	11	13	11	9	11	14	11	15	11	14	12	11	12	14	9	11	14	14	16	13	16	14	16	14	15	11	9	4	13	11	13	15	13	14	9	17	17	17	16	11	11	15	6	10	12	12	15	16	15	21	18	18	13	14	11	16	13	10	7	6	10	8	7	9	13	10	14	9	23	12	9	8	14	8	14	16	10	11	11	25	19	7	16	6	15	16	21	15	15	10	16	14	6	12	9	13	5	10	13	6	12	13	12	12	21	13	11	13	5	12	26	18	21	31	18	32	22	26	29	32	16	6	9	11	4	3	9	12	7	7	4	11	9	7	14	10	0	7	10	20	11	20	9	11	6	6	9	15	7	11	8	8	8	14	1	15	21	9	16	19	16	20	20	12	13	20	23	6	11	9	16	9	9	16	13	12	12	10	16	18	16	15	12	17	16	21	22	19	14	11	18	12	18	10	7	8	10	19	33	5	5	15	14	16	5	14	10	12	8	9	8	1	4	10	9	29	20	20	7	5	6	18	18	5	13	5	9	11	8	11	17	10	20	12	10	13	11	6	8	12	8	5	14	9	2	7	25	16	16	13	8	16	6	4	5	8	12	13	7	13	3	0	2	11	15	5	17	8	10	6	11	20	9	12	16	9	13	13	13	9	18	10	10	10	11	20	6	10	11	10	17	13	2	4	4	6	13	14	14	10	8	11	16	18	15	5	10	6	17	20	16	14	14	8	12	5	13	23	18	22	15	18	7	3	4	17	11	23	20	7	8	22	14	25	23
+Dimethomorph _isomer1	8	5	5	9	11	6	10	9	7	12	16	8	6	8	9	10	5	5	6	7	10	9	19	11	15	11	12	11	15	31	10	6	17	13	14	8	31	10	4	8	5	12	20	1	21	13	14	13	12	5	5	12	19	15	8	12	7	6	6	3	6	11	10	10	7	6	6	5	8	5	5	5	10	16	20	7	13	7	12	20	7	8	16	10	15	9	21	22	23	8	11	12	19	14	13	7	16	20	19	20	25	16	18	25	26	4	4	4	6	4	5	4	5	5	4	5	6	6	5	17	7	4	6	13	3	12	11	1	11	1	27	7	2	3	5	8	8	10	11	8	3	12	2	3	2	8	10	2	3	7	2	1	13	9	6	21	17	14	17	4	21	18	15	6	11	8	17	4	7	34	26	15	18	16	14	10	5	2	23	23	21	11	25	19	12	10	10	1	13	18	34	9	9	13	11	5	5	9	11	9	13	10	11	13	25	6	8	30	3	12	15	25	19	7	12	11	12	16	3	16	13	23	10	16	14	12	12	12	11	6	6	6	6	6	9	5	13	13	12	5	16	16	10	14	16	7	6	8	26	5	51	48	7	14	18	5	21	9	5	5	0	7	4	6	8	2	26	14	18	12	3	9	33	13	7	23	2	5	8	4	15	29	0	21	11	14	7	16	3	9	18	17	5	12	4	2	4	23	27	21	22	17	18	3	2	7	15	24	11	12	14	6	1	2	9	11	8	17	14	12	10	26	25	6	16	12	11	13	12	19	8	22	8	7	7	20	31	7	5	10	19	26	18	5	5	8	8	13	11	18	5	6	21	31	25	26	6	20	12	20	30	20	17	20	18	25	9	15	27	37	32	29	40	2	3	5	25	27	33	30	14	5	30	26	43	36
+Dimethomorph_isomer2	8	5	5	9	11	5	8	9	7	12	15	8	6	8	9	10	5	5	6	7	10	9	20	11	14	11	13	11	14	31	10	6	15	13	13	6	30	10	3	8	4	11	18	1	21	12	13	12	11	5	5	12	18	15	7	11	7	6	5	2	5	11	10	10	7	6	6	5	7	4	5	4	8	14	18	7	13	6	10	18	8	9	14	8	14	9	19	20	21	7	10	11	17	12	11	6	14	18	16	18	23	16	17	23	25	4	4	4	6	4	5	4	5	5	4	5	6	6	5	15	7	4	6	13	3	11	10	1	11	1	26	7	2	3	5	8	8	10	11	8	3	12	2	3	2	7	8	2	3	7	2	1	13	9	6	21	17	14	17	4	21	18	15	6	12	8	17	4	7	33	24	14	18	15	14	10	5	3	22	23	21	11	24	17	12	10	10	1	13	18	34	9	9	12	11	5	5	9	11	9	12	10	10	13	25	6	8	28	3	12	15	25	18	7	11	11	12	14	3	14	13	22	10	15	13	11	11	12	10	5	5	5	6	6	8	5	12	13	12	4	16	16	10	13	16	7	6	7	25	5	48	49	8	14	18	5	19	9	5	5	0	7	4	5	8	2	26	14	18	11	3	8	33	13	7	21	2	5	7	4	14	27	0	22	11	11	6	15	3	9	18	16	5	13	5	3	4	22	26	21	22	15	17	3	2	7	15	22	11	12	12	6	1	2	9	11	9	16	13	11	11	25	22	6	15	10	9	10	10	17	8	21	8	6	7	19	29	7	5	9	17	25	18	5	5	8	8	13	11	17	5	5	20	29	25	26	6	20	11	19	29	19	17	19	16	26	9	14	28	35	30	27	39	2	3	5	25	26	32	29	14	5	29	26	42	36
+Vamidothion	1	3	0	4	5	5	4	2	2	1	5	4	0	2	3	4	2	3	3	3	2	1	7	3	3	11	4	9	10	22	5	12	13	2	19	4	21	7	3	6	13	13	14	4	15	15	15	14	15	9	5	13	5	8	9	9	16	11	10	10	14	19	18	15	16	12	12	12	13	13	9	12	12	15	16	19	11	7	6	11	16	12	13	11	10	6	12	16	13	14	8	8	17	4	7	9	13	15	16	14	20	16	16	12	13	7	7	5	3	5	4	6	7	8	7	8	9	10	8	21	13	6	5	15	8	8	9	10	10	8	19	13	3	10	6	14	10	13	10	11	5	12	8	4	8	4	7	2	5	7	6	5	7	8	5	14	9	8	8	2	9	23	9	17	19	24	28	18	21	24	29	10	10	10	12	3	4	5	11	5	6	2	8	6	10	9	8	2	7	7	21	3	18	8	11	6	7	9	10	7	12	5	8	8	19	1	12	22	8	16	13	18	17	14	14	15	18	17	6	10	10	12	6	7	9	12	11	20	19	13	12	13	16	13	13	15	16	20	16	13	15	9	8	10	10	8	5	8	14	15	7	8	36	8	17	3	15	5	4	5	10	3	3	3	8	3	25	14	16	3	3	5	15	12	6	6	4	3	6	4	13	15	10	8	7	9	9	16	4	4	11	11	4	9	13	0	3	24	11	16	17	13	11	3	1	1	9	11	17	6	6	11	1	3	13	16	5	10	9	14	7	9	17	8	15	10	7	9	11	5	4	10	9	9	6	14	20	7	6	6	6	16	8	3	8	9	12	9	13	13	10	7	10	16	21	19	2	6	6	20	21	16	10	21	6	14	4	14	22	24	20	16	22	1	3	4	12	12	21	16	3	2	13	11	18	16
+Temephos	4	8	9	3	3	3	2	8	7	11	11	10	8	7	9	10	6	8	8	8	5	7	13	8	9	9	7	9	8	23	6	12	19	6	21	5	23	7	2	12	14	17	24	2	14	13	14	11	12	16	13	16	11	17	21	11	17	15	19	10	17	21	19	17	21	12	14	16	17	16	12	14	7	13	13	14	9	8	4	13	22	17	11	8	13	8	19	23	26	16	16	10	14	7	9	11	10	22	21	29	34	24	25	20	29	18	14	15	9	8	11	13	13	21	17	11	8	12	8	16	10	8	7	14	8	20	21	8	12	5	31	12	3	9	5	10	7	9	11	12	7	8	7	5	6	2	5	2	5	9	2	6	5	6	4	11	10	9	9	8	16	33	20	26	32	22	39	27	30	38	41	15	5	10	16	7	2	13	16	12	14	5	15	10	8	10	10	1	18	16	31	12	10	6	7	4	4	6	9	5	9	5	6	12	17	4	7	24	8	19	23	23	27	13	6	17	32	16	5	13	20	20	12	9	12	15	13	21	17	18	17	18	17	14	20	19	26	27	26	14	17	7	4	19	19	3	5	9	15	14	14	14	8	62	21	7	11	6	4	3	11	3	1	2	9	2	26	19	15	4	3	5	13	4	6	6	3	3	3	3	6	27	12	16	14	6	13	18	5	4	21	13	4	8	5	2	2	12	13	8	22	4	8	6	6	4	12	10	14	9	4	3	1	3	5	14	7	9	14	12	7	14	11	7	12	7	20	16	3	13	12	14	13	9	5	8	27	8	8	5	13	33	15	3	4	10	11	6	11	16	18	11	15	19	22	26	7	11	6	24	29	9	17	20	8	10	10	9	14	25	32	17	26	6	1	2	28	12	31	19	12	2	22	18	20	16
+Methomyl	21	10	13	14	15	14	15	11	10	17	29	15	13	9	13	14	12	12	13	14	13	12	34	11	24	25	20	28	26	46	19	24	45	16	38	17	65	19	6	20	28	26	52	4	17	15	17	17	17	20	18	26	18	23	26	19	26	21	27	25	27	30	26	22	29	19	21	27	26	25	19	27	30	31	34	28	19	13	11	33	35	32	33	29	40	27	34	39	48	35	23	14	22	21	22	24	22	45	37	38	56	31	36	38	51	25	23	23	19	17	16	22	20	15	16	21	14	26	16	50	16	16	12	39	21	26	21	10	12	10	39	32	12	29	10	28	23	23	32	37	20	29	25	16	23	14	21	4	14	23	6	18	18	23	16	36	27	28	29	15	38	38	26	25	25	28	45	24	27	47	50	24	21	21	22	15	4	14	27	18	18	9	33	21	19	21	10	0	19	28	54	23	31	17	34	14	12	27	33	21	31	23	26	26	21	14	32	37	20	41	22	32	39	30	23	25	31	43	8	7	25	28	20	21	23	24	22	32	24	29	31	33	28	21	31	28	39	42	35	28	33	25	19	20	49	9	10	10	48	16	18	18	17	21	110	10	27	18	12	11	14	8	4	6	14	5	44	25	29	11	4	11	38	22	15	28	6	9	17	11	19	48	16	40	31	13	14	20	5	6	21	20	5	24	16	10	9	42	30	32	26	22	20	6	10	15	19	23	30	9	19	11	3	8	21	31	14	25	30	15	15	22	35	13	24	25	12	22	15	30	19	31	19	17	12	23	65	13	17	22	37	28	30	7	13	9	7	17	16	19	11	15	21	39	49	35	6	21	13	21	48	23	18	22	8	30	14	26	47	45	50	47	47	12	6	7	28	43	70	58	20	8	57	44	77	61
+Ethiofencarb	5	5	6	6	7	7	5	4	4	6	7	5	7	4	5	5	3	5	5	5	6	6	10	6	6	8	9	14	12	9	12	10	5	7	9	7	15	5	5	7	11	5	11	1	7	6	6	4	6	7	4	3	5	5	8	2	7	5	8	8	10	5	5	4	7	4	5	7	7	7	4	9	10	13	11	10	9	8	5	11	12	12	13	11	12	7	10	10	8	7	8	5	9	8	9	12	13	10	9	11	14	10	11	11	11	9	11	10	9	7	8	8	7	9	8	8	6	7	5	10	5	7	7	7	5	10	9	8	9	8	13	9	9	11	4	8	7	7	14	12	12	14	13	8	12	10	9	5	11	11	4	10	10	9	9	14	8	8	6	4	10	10	8	8	10	7	10	7	8	12	12	5	4	5	4	6	2	5	12	10	11	6	12	10	3	5	8	0	6	4	10	10	10	5	8	5	4	7	11	6	8	7	6	6	9	3	14	11	6	10	9	9	8	8	6	6	14	9	2	3	9	2	8	9	3	4	3	7	3	10	9	10	8	4	9	8	10	9	11	8	8	10	11	9	6	1	5	4	10	5	5	5	3	7	10	15	10	11	11	3	3	8	2	4	5	5	11	8	10	5	2	3	9	8	3	9	2	6	9	7	6	9	4	8	5	7	3	5	0	6	7	6	4	8	7	5	4	10	6	7	5	5	5	5	5	8	4	1	4	1	4	1	0	0	8	8	5	5	8	8	10	9	8	7	11	7	5	8	8	8	6	7	11	8	7	5	12	3	5	9	9	8	6	4	4	2	2	3	3	4	5	4	6	11	13	9	3	10	5	8	11	11	2	4	2	7	3	8	11	10	8	11	12	6	2	2	8	7	11	13	8	8	14	9	14	13
+Furathiocarb	4	2	4	5	7	10	7	3	3	3	10	8	5	2	3	2	1	2	2	2	5	5	13	4	12	13	9	30	24	33	15	17	19	12	23	14	42	18	11	8	15	14	21	1	13	11	11	10	13	5	4	10	12	14	15	12	16	14	15	19	13	16	16	14	19	15	14	15	15	16	11	13	21	32	28	24	17	15	9	24	24	23	33	21	31	22	26	30	35	9	16	13	23	18	21	22	25	34	26	28	44	23	28	33	37	6	5	2	5	5	4	6	8	11	8	7	6	10	10	31	14	10	6	21	15	18	18	10	17	11	33	19	11	25	7	18	22	23	27	24	17	34	20	9	22	15	18	7	12	16	8	18	27	23	21	35	15	13	16	4	15	22	28	17	19	15	31	14	19	43	27	14	7	19	15	13	5	6	22	16	17	4	35	21	10	12	9	1	9	10	30	11	20	10	16	6	6	13	14	9	15	10	13	7	15	7	31	32	18	26	4	22	26	17	21	22	19	33	7	11	19	15	16	10	13	13	12	21	14	12	13	12	17	14	9	16	14	19	13	15	21	29	23	18	14	7	7	12	25	14	21	19	15	11	27	10	56	18	13	5	16	10	4	7	9	13	32	13	20	8	10	9	20	27	8	17	2	13	21	18	13	46	17	19	23	16	8	9	4	11	20	18	5	15	19	3	7	33	25	29	23	24	12	5	5	9	12	12	29	7	12	12	0	5	29	32	6	13	30	17	14	23	32	9	33	22	9	21	24	14	7	18	25	25	15	12	39	18	10	23	15	27	12	2	6	7	7	10	10	24	13	14	16	31	42	20	4	15	8	16	23	20	14	31	14	22	11	8	28	42	29	31	43	8	5	11	25	28	39	35	12	13	33	22	47	42
+Methabenzthiazuron	6	7	9	8	9	8	7	6	5	9	11	6	10	6	8	8	8	8	9	9	7	9	18	9	6	7	12	20	12	14	13	14	16	13	11	14	22	9	7	9	15	9	14	2	12	12	12	9	13	12	7	9	11	14	9	7	13	10	13	10	15	10	8	8	14	9	11	12	13	12	11	13	12	13	14	11	13	12	5	11	13	14	12	11	11	6	8	12	12	12	5	6	12	7	9	17	17	12	10	14	18	11	14	14	17	10	12	7	10	9	10	10	8	9	10	11	9	12	9	15	9	12	10	13	8	14	9	11	12	12	20	16	12	20	6	10	9	11	16	12	12	16	17	12	15	9	8	3	14	18	7	13	13	15	13	19	7	8	8	3	12	17	14	16	15	13	17	11	14	20	21	14	5	15	16	7	4	6	12	10	11	3	13	10	4	14	4	1	10	15	21	13	19	13	21	9	9	12	16	12	16	12	12	12	12	9	16	21	10	13	19	11	22	15	10	12	22	16	3	5	19	7	13	10	8	10	10	13	11	15	16	17	15	12	16	15	18	18	18	15	11	16	12	18	10	4	8	6	20	10	9	9	5	6	18	11	18	26	9	8	7	8	5	4	5	9	24	13	13	12	6	4	8	14	9	13	3	9	12	9	7	17	7	19	8	5	1	5	1	6	6	8	4	10	6	6	5	14	13	16	7	9	16	2	6	12	9	9	5	2	11	2	1	3	10	14	7	14	10	10	18	15	16	6	18	12	10	14	15	12	9	15	14	11	8	7	17	7	15	21	14	10	11	1	3	5	7	9	10	12	7	9	11	13	15	9	6	13	8	10	15	10	13	15	8	13	5	8	13	18	13	16	18	15	3	6	10	8	9	18	9	7	16	10	24	21
+Methiocarb	3	2	1	6	7	6	5	3	3	4	8	5	1	1	2	2	1	2	2	2	2	3	11	3	5	10	8	16	14	15	9	11	12	2	9	7	17	6	6	8	7	11	12	0	8	10	10	9	10	4	0	7	6	4	7	10	6	6	6	7	5	9	8	7	8	5	5	6	4	6	4	5	15	17	16	15	12	8	6	14	14	15	17	15	13	9	13	14	14	10	11	4	9	9	11	13	16	13	13	14	15	12	14	11	13	2	1	0	1	3	2	1	7	4	2	3	1	3	1	11	8	3	1	7	5	6	6	3	4	3	11	13	5	18	3	11	16	16	12	8	11	11	7	5	9	6	5	5	13	15	5	8	16	14	7	17	11	10	14	3	13	14	10	9	13	8	13	5	8	19	18	7	8	4	4	10	3	6	12	8	9	5	10	6	9	11	9	0	6	3	13	6	11	5	8	3	3	9	11	6	9	5	8	2	14	3	14	16	6	4	10	14	15	9	7	7	19	12	3	10	10	15	7	12	7	11	11	10	9	4	5	4	7	4	4	6	11	12	13	5	5	16	16	12	8	4	4	7	15	12	5	5	4	4	12	11	13	9	20	5	4	5	3	2	4	6	15	9	13	8	2	8	18	16	9	16	1	9	8	7	9	10	5	15	5	8	6	3	1	7	11	2	1	6	5	2	2	12	11	11	5	5	8	5	3	5	5	8	4	5	7	3	0	0	6	10	5	8	9	12	11	9	12	5	9	12	10	14	10	15	9	14	8	7	6	5	15	4	8	10	12	9	10	7	7	3	3	8	11	8	6	8	9	17	19	8	3	9	6	11	12	12	6	9	5	10	6	14	15	17	13	15	15	6	2	2	15	12	18	18	9	8	17	14	20	19
+Tebuthiuron	3	2	5	6	6	4	4	5	5	5	9	2	2	2	4	4	2	2	2	2	2	2	4	2	6	5	7	11	10	12	8	6	9	5	9	4	17	7	1	5	6	5	8	0	9	7	6	6	7	5	6	5	9	6	7	5	7	5	8	9	11	7	6	4	8	5	6	7	10	10	8	9	2	6	12	7	5	1	0	7	10	7	5	5	6	4	4	8	10	6	1	2	5	3	3	4	3	8	9	8	11	8	9	11	9	8	9	6	5	5	5	6	6	6	10	8	8	14	10	13	6	7	6	11	7	4	3	3	5	3	9	13	3	10	5	9	14	10	11	12	6	14	6	7	7	2	3	2	6	10	4	7	9	10	6	17	10	12	12	5	14	12	10	10	12	7	12	7	8	14	15	9	7	9	9	6	1	5	5	4	3	1	8	4	5	3	3	2	5	7	11	3	12	10	12	4	4	7	12	8	11	7	9	5	12	4	8	8	3	7	4	8	17	10	6	5	8	11	0	3	12	6	7	7	8	6	6	6	6	9	8	8	7	6	5	10	14	15	11	10	8	10	8	3	9	6	3	6	11	8	5	5	5	3	11	3	5	8	5	19	1	5	2	0	5	0	16	11	13	6	5	5	14	7	8	11	3	4	5	3	9	9	2	15	9	2	2	5	1	4	5	8	3	3	2	4	4	15	7	6	6	2	12	3	4	6	4	11	3	6	10	1	1	3	5	10	3	15	4	4	6	8	14	5	5	8	4	6	1	13	12	14	7	4	3	3	9	2	5	6	11	10	10	4	6	1	3	6	5	5	1	5	5	6	15	10	0	5	5	8	10	5	4	9	7	8	3	10	12	13	8	10	15	6	2	3	11	11	14	18	8	1	18	13	18	16
+Iprovalicarb isomer 2	2	0	4	2	2	6	1	3	3	2	4	5	1	2	2	2	0	0	0	0	0	1	4	0	3	9	4	13	14	18	8	16	8	1	19	9	22	10	7	7	10	9	10	6	4	6	5	3	7	2	4	11	5	6	12	7	17	12	9	13	11	16	13	11	16	12	12	9	12	10	9	8	22	17	16	23	9	10	8	9	17	21	11	10	14	11	10	11	14	17	7	5	11	7	10	20	19	13	15	16	21	18	17	11	12	7	4	8	7	6	6	7	8	9	8	4	5	12	8	22	16	6	4	12	8	7	8	11	6	5	16	21	8	14	5	20	17	18	15	14	6	18	15	4	15	5	11	3	6	5	5	9	13	9	15	22	10	8	12	4	9	22	6	18	17	24	27	18	18	19	25	10	5	9	7	8	1	9	7	5	5	1	16	8	2	5	3	1	3	6	19	2	20	2	17	4	4	11	8	4	8	7	6	5	6	2	17	13	15	22	8	4	18	9	9	20	8	23	7	3	11	10	8	6	6	8	8	16	15	10	10	10	17	13	14	10	18	19	14	10	21	13	12	8	11	6	1	2	13	9	0	0	10	11	14	3	16	7	4	1	32	8	0	4	5	8	19	12	13	1	5	0	11	14	4	3	2	8	9	10	11	12	32	6	10	12	10	8	0	7	9	9	2	9	15	2	5	28	10	19	21	13	2	2	4	6	5	5	14	5	1	10	3	5	18	18	5	2	16	10	3	3	22	7	17	14	8	5	15	5	4	7	12	13	6	9	21	10	9	8	5	10	5	1	8	4	5	5	4	13	6	8	3	14	25	12	7	2	0	6	13	10	5	12	1	8	3	6	17	17	11	16	15	7	1	4	6	14	23	21	6	7	22	14	26	26
+Propham	5	2	4	3	4	7	2	3	3	4	5	3	2	3	3	3	2	2	2	2	4	4	7	4	3	3	6	12	12	12	7	10	6	4	7	10	14	7	6	7	4	5	4	2	6	4	3	2	4	2	2	3	7	2	7	5	7	4	5	4	5	4	5	4	5	4	4	5	4	4	2	4	8	9	8	9	5	6	4	8	5	6	10	9	8	5	5	8	12	3	5	4	6	2	5	9	9	9	8	8	13	8	8	8	8	5	5	5	5	5	5	6	7	4	5	2	3	4	4	10	6	3	3	4	5	4	3	3	3	3	10	12	6	12	4	5	9	7	12	11	10	13	10	4	12	5	8	5	8	10	6	10	8	6	9	14	10	9	8	6	11	7	3	4	1	4	9	4	5	10	11	5	2	4	3	8	3	4	6	5	5	2	11	8	1	6	6	0	4	5	12	5	12	6	8	3	2	7	9	4	6	6	6	5	5	5	12	14	6	8	8	7	9	11	5	9	11	11	2	5	8	3	6	7	5	5	5	5	4	3	5	5	7	4	6	4	8	8	7	4	6	12	10	10	6	5	2	1	11	8	7	7	3	3	8	8	10	8	5	5	8	14	2	2	6	8	12	10	11	6	6	1	11	8	3	10	3	9	8	7	3	7	8	11	6	9	2	4	0	10	5	2	4	12	6	5	10	10	6	9	6	7	6	2	7	7	3	4	4	3	6	3	0	1	11	11	5	6	10	3	6	9	12	7	12	12	2	7	11	10	5	9	9	8	6	3	10	5	7	9	11	8	10	0	0	1	1	5	6	5	3	2	5	9	12	6	1	4	4	5	7	7	4	5	1	8	2	2	7	10	8	6	13	6	2	2	10	5	12	13	9	4	12	10	14	14
+Propoxur	1	0	0	1	2	1	2	0	0	2	6	0	1	1	1	0	1	0	1	1	1	1	6	1	1	0	3	6	5	4	3	5	5	3	3	4	7	2	0	3	3	4	4	0	6	2	2	2	3	3	1	3	3	1	2	3	4	2	3	4	3	4	3	3	4	2	3	4	4	4	3	3	4	3	6	5	2	2	1	4	4	4	5	4	1	1	1	3	2	4	2	1	4	1	2	5	5	3	4	5	5	3	4	4	3	2	2	1	1	0	1	2	1	1	2	0	0	1	0	5	0	0	0	4	5	3	2	2	2	1	3	6	4	7	0	2	6	5	6	4	3	5	4	4	4	1	0	0	6	7	3	5	5	6	5	6	4	4	4	0	3	7	5	2	6	2	4	3	3	6	6	4	1	1	2	1	5	4	2	1	2	1	6	1	4	5	3	1	1	6	6	4	7	5	7	4	3	3	6	2	5	3	3	3	4	1	5	7	1	1	4	3	6	3	2	0	6	2	0	4	6	2	3	1	2	4	4	4	3	3	3	3	4	3	2	4	5	7	4	4	4	2	3	3	3	4	1	4	7	1	4	4	3	1	4	2	4	5	3	2	0	2	7	1	0	4	6	1	2	4	1	3	2	3	4	2	0	4	0	0	2	4	0	6	2	0	0	2	1	1	0	2	0	2	0	0	0	3	3	1	0	0	6	0	0	1	1	5	1	1	7	0	0	1	1	5	0	6	3	5	5	6	3	0	3	0	3	6	2	5	6	7	4	1	2	2	4	2	1	4	6	4	6	1	3	3	3	3	4	5	4	5	2	3	6	3	2	4	2	4	2	3	2	5	4	2	3	4	4	6	5	5	5	3	1	1	5	1	3	5	1	1	6	4	7	7
+Pyraclostrobin	2	0	1	2	2	3	3	1	0	0	3	2	0	1	0	0	0	0	0	0	0	0	5	1	3	8	4	6	4	9	4	4	2	5	8	3	13	2	3	1	5	3	8	1	7	7	7	7	6	0	3	5	5	6	5	3	4	1	3	7	4	3	3	2	5	4	2	5	8	6	3	3	7	7	5	5	3	3	6	7	7	7	7	6	7	5	7	9	8	4	5	3	6	6	5	6	5	8	8	9	13	7	10	9	11	3	4	2	3	2	3	2	2	1	2	1	4	5	3	10	4	1	4	6	4	8	6	3	4	4	10	6	6	3	1	7	5	6	8	7	3	7	6	3	5	5	9	1	2	2	0	3	3	2	6	7	5	3	3	2	4	8	7	5	4	6	11	7	8	10	9	4	4	7	5	2	1	6	7	4	4	3	5	7	2	1	3	0	4	1	9	0	5	3	8	2	2	4	3	4	5	6	5	1	7	2	6	5	4	6	2	4	5	4	6	4	5	9	3	0	3	5	3	3	4	3	3	4	3	5	4	4	3	2	3	7	5	6	6	6	5	5	2	2	7	0	4	5	9	4	6	5	3	2	6	4	7	4	2	0	4	2	1	16	3	1	9	3	6	2	0	0	8	6	1	3	1	1	4	2	4	12	4	3	4	3	4	4	0	3	3	3	0	3	6	1	0	5	7	8	6	6	3	1	1	3	2	4	4	1	4	0	0	0	5	4	2	5	4	3	4	4	9	2	6	7	3	6	6	2	1	2	3	3	4	5	10	3	1	4	2	5	2	2	3	1	2	5	5	4	3	9	3	10	6	7	2	5	4	5	10	9	5	7	6	6	2	5	9	9	6	7	8	4	0	0	5	7	11	8	4	2	8	4	9	8
+Thiobencarb	7	8	5	6	7	6	4	7	6	7	9	7	3	7	8	8	8	9	9	9	6	6	12	6	5	6	6	10	9	12	9	13	14	3	15	11	20	9	4	8	15	9	9	3	15	12	13	14	13	12	9	8	9	4	9	7	14	9	13	9	15	12	12	11	14	10	9	13	17	14	10	13	9	11	11	11	7	2	2	13	9	8	8	5	13	8	12	11	10	12	6	8	14	10	8	7	5	11	9	9	19	9	14	8	13	10	11	10	6	6	6	12	8	7	9	5	4	12	9	16	10	9	6	6	5	3	5	4	8	4	15	9	4	8	7	10	9	10	10	12	8	13	9	5	12	4	8	4	3	6	6	7	6	6	8	13	9	7	8	4	10	17	12	16	17	11	21	14	19	20	18	7	9	5	3	4	5	9	9	9	8	3	10	10	9	10	8	1	11	9	13	9	19	3	11	4	4	9	11	8	8	10	8	13	18	4	9	16	6	12	12	16	12	15	7	11	22	12	6	8	9	8	6	11	14	10	8	14	9	17	15	14	13	9	13	14	14	15	14	14	12	12	9	7	7	3	6	7	10	10	8	8	8	9	14	5	9	5	4	5	5	6	0	3	27	3	21	11	19	6	3	5	16	6	10	8	2	3	3	3	8	14	6	15	10	6	8	7	1	7	11	7	4	9	6	4	6	15	16	12	13	5	11	5	5	9	10	14	10	6	8	4	3	5	11	12	11	11	5	13	5	10	15	6	10	10	6	6	5	13	7	15	7	6	8	14	17	6	4	10	10	16	14	3	1	7	6	13	13	7	9	6	8	13	20	14	3	9	4	14	15	12	13	12	9	12	5	12	18	17	18	9	19	8	3	4	14	13	22	17	8	3	17	17	22	19
+Isoprocarb	0	1	2	2	3	5	1	1	0	2	7	3	2	1	2	2	1	1	1	2	2	2	6	3	2	4	3	14	9	9	6	10	5	4	9	9	12	9	6	5	7	6	5	1	2	4	3	2	5	4	2	7	3	5	6	5	6	4	7	5	6	4	6	4	6	4	4	6	7	6	3	6	11	10	9	11	6	8	3	6	8	10	12	11	9	7	5	8	8	5	4	5	7	3	6	12	14	10	8	8	11	8	10	6	8	4	2	2	3	3	3	5	5	2	3	2	1	2	2	11	5	3	1	7	5	8	7	4	4	4	11	11	4	13	5	6	8	8	13	13	12	12	8	5	10	6	7	4	10	12	4	14	12	11	9	13	8	5	6	2	6	9	3	6	8	5	11	5	8	10	13	7	1	5	6	8	3	2	8	5	5	2	10	9	2	6	3	0	3	5	13	5	9	4	10	3	3	6	8	6	7	5	6	3	4	4	12	11	9	7	6	6	10	7	7	8	9	10	3	7	8	3	7	3	7	6	6	6	4	5	6	6	6	4	8	6	6	9	8	6	5	12	10	10	6	3	1	3	10	9	2	2	3	2	5	5	13	9	6	0	8	8	4	1	3	14	7	8	8	2	6	2	7	12	4	9	3	13	9	10	3	7	8	13	5	6	2	3	0	8	6	2	1	7	8	2	5	9	10	8	7	9	9	2	4	8	6	3	5	3	10	4	0	2	10	10	3	9	11	6	7	7	11	5	14	8	6	8	12	5	4	13	10	10	7	3	11	5	6	12	10	3	10	1	1	2	2	6	5	6	2	3	5	8	9	4	1	4	1	4	5	6	4	6	3	6	3	1	7	8	8	8	9	5	1	3	8	6	9	13	6	7	10	7	14	14
+Linuron	10	9	8	14	15	14	10	12	11	11	16	12	10	10	13	14	9	10	11	11	10	9	28	12	19	30	16	35	23	50	15	35	46	15	47	19	65	17	7	31	43	38	45	16	51	39	43	41	43	23	27	36	32	37	38	30	40	30	37	47	45	44	40	33	45	29	32	40	45	43	33	43	31	39	40	34	24	17	13	35	39	36	31	29	28	24	26	37	50	50	20	17	32	17	18	37	29	45	40	50	54	32	39	37	47	39	37	31	27	24	22	27	27	27	35	36	25	38	28	57	33	22	21	49	29	34	34	22	27	24	70	28	11	34	14	28	28	33	30	31	20	28	19	14	17	14	27	7	20	28	8	17	26	20	22	45	29	26	29	11	32	77	50	61	85	60	95	58	65	92	93	40	21	40	39	11	8	24	29	24	25	9	29	24	24	34	22	5	19	28	70	22	31	22	34	13	11	20	32	16	27	20	21	26	47	9	34	53	14	41	47	40	48	33	33	28	44	52	10	21	26	35	37	22	30	38	35	48	39	49	44	48	40	36	46	48	64	77	64	45	29	25	21	37	31	12	16	22	46	29	26	26	25	26	44	11	32	24	15	16	19	12	6	9	21	7	138	49	45	16	14	11	37	23	20	28	6	11	17	13	23	52	20	39	31	18	21	25	6	9	36	28	9	26	21	4	11	63	40	36	28	18	34	9	7	15	27	39	22	20	26	13	5	11	23	27	15	33	30	36	25	38	48	15	36	30	21	31	27	31	20	34	21	16	17	36	65	10	20	28	27	66	28	6	17	23	29	28	31	36	28	34	29	60	56	53	16	30	14	54	57	41	35	49	32	40	20	44	68	73	68	48	70	12	8	9	58	31	62	61	18	9	55	39	80	64
+Metobromuron	4	5	9	8	9	9	5	9	8	7	10	9	5	8	6	8	5	5	5	5	4	6	16	7	13	15	10	22	19	28	11	25	22	5	34	14	42	10	4	16	25	17	20	13	18	21	21	20	23	15	14	18	11	17	13	14	23	18	23	21	28	25	23	22	23	19	18	22	24	23	17	24	15	15	14	15	9	5	8	17	18	15	14	13	15	13	15	17	29	25	9	9	12	5	9	12	10	20	18	25	33	19	17	19	19	16	24	20	14	15	13	18	13	15	17	17	15	23	18	30	18	13	14	14	12	21	23	9	13	8	38	19	8	21	13	17	22	23	22	20	13	22	13	9	14	8	16	5	12	19	9	13	15	10	16	30	21	21	23	11	25	36	17	28	38	29	48	29	33	38	44	24	14	15	18	9	7	13	17	12	11	5	14	10	10	16	11	1	9	11	30	9	25	13	21	5	4	11	16	8	14	10	11	8	25	6	23	30	14	19	33	24	23	25	19	17	32	24	5	10	17	20	17	16	15	14	14	26	23	23	25	27	23	18	24	26	34	36	31	23	13	23	16	20	17	9	5	10	27	20	14	14	14	19	25	8	13	13	9	11	12	10	1	3	11	8	49	57	34	11	7	4	19	16	8	18	6	7	12	10	16	22	12	26	21	12	18	17	3	10	20	14	6	18	10	3	11	31	6	22	18	8	17	2	7	9	13	19	15	15	16	6	1	6	12	24	8	20	13	13	13	16	23	13	17	18	14	16	12	22	14	24	9	8	7	15	28	10	15	12	28	27	21	4	9	10	14	8	16	15	10	11	14	21	44	30	6	8	7	28	30	20	13	21	14	16	8	21	26	22	37	12	24	7	3	4	28	15	32	36	15	6	34	31	44	41
+Monolinuron	5	8	10	10	11	12	8	10	9	9	11	6	7	9	9	9	7	8	8	8	6	8	16	10	12	16	15	21	21	30	16	21	26	8	28	16	38	16	6	17	20	19	22	5	30	22	23	23	24	14	10	20	19	15	23	17	22	16	19	22	21	22	22	17	23	18	18	21	21	22	18	19	16	20	24	20	12	5	8	21	22	19	16	14	21	14	23	23	27	23	11	9	20	16	17	14	12	23	22	25	34	22	20	19	26	23	22	22	12	14	13	18	13	20	19	17	16	34	21	39	19	21	17	27	14	10	12	7	9	6	28	20	10	19	11	24	24	24	18	21	14	21	17	10	16	11	17	6	10	19	10	12	18	16	19	35	23	23	25	9	27	34	17	27	34	16	36	19	24	36	43	23	18	19	17	10	7	14	17	20	19	6	20	14	16	13	13	2	14	22	44	11	29	18	27	10	8	20	23	16	20	19	18	15	27	5	21	32	15	27	21	24	21	18	18	22	29	33	5	10	16	24	16	22	21	19	19	23	20	23	20	20	21	18	18	21	34	37	32	21	22	28	20	18	16	9	9	11	29	20	18	18	16	15	29	10	20	13	13	13	13	11	2	6	19	8	45	34	56	11	8	7	28	19	14	18	4	9	11	12	19	32	13	24	18	16	10	14	4	9	19	13	5	19	16	4	12	39	27	25	20	15	23	4	6	10	16	25	16	11	19	9	2	6	18	21	17	22	13	20	13	20	29	13	18	21	8	15	12	18	7	22	13	13	13	21	32	14	15	17	21	26	21	6	7	10	12	19	21	18	9	14	14	29	45	26	3	21	8	30	32	25	23	24	14	25	8	21	35	40	31	28	36	12	7	9	26	25	40	38	16	5	40	34	49	42
+Pirimicarb	2	4	2	4	4	3	6	6	6	6	7	5	2	5	6	5	3	4	4	4	6	6	11	7	5	2	5	14	8	13	9	8	12	7	9	5	16	3	3	5	4	11	10	1	10	6	7	6	6	6	2	10	8	8	7	10	6	5	6	4	5	7	8	6	7	5	5	5	6	5	4	5	6	12	12	8	9	4	4	13	8	7	10	7	5	2	6	10	8	4	2	3	8	5	6	10	9	8	6	12	11	7	6	11	12	4	4	2	2	2	2	2	4	6	4	6	3	2	2	13	3	2	2	11	6	4	2	0	1	0	11	7	2	13	6	3	11	9	12	9	6	10	3	3	5	6	3	1	11	10	3	3	12	9	7	16	13	14	16	5	17	11	10	10	10	6	9	6	7	13	14	8	5	7	8	5	2	3	8	10	8	4	7	8	6	5	4	0	4	6	14	3	9	8	7	2	2	5	11	5	7	5	6	8	13	4	11	18	0	6	5	14	9	8	6	3	13	8	1	3	8	9	7	7	12	11	11	8	7	6	5	5	5	5	4	5	7	11	8	6	9	13	10	12	7	3	7	11	15	7	12	11	3	4	11	5	8	12	8	6	1	6	4	2	6	2	16	11	11	20	3	6	13	9	6	10	2	2	7	3	6	15	1	13	4	2	0	7	2	6	9	4	3	6	1	2	2	11	11	9	1	3	14	3	2	4	6	6	3	7	12	0	1	1	2	4	2	14	9	5	7	17	11	4	10	7	6	13	6	15	7	15	5	2	4	11	13	1	5	8	14	9	14	4	3	8	10	5	8	9	5	8	9	12	16	8	2	9	8	10	10	14	8	10	8	11	6	12	11	14	15	16	16	2	2	2	14	11	13	17	9	5	15	15	19	19
+Siduron	1	3	3	1	1	4	1	2	2	2	2	1	1	3	4	3	3	3	3	3	4	5	7	5	4	2	2	9	4	9	4	5	4	3	6	8	13	3	1	5	2	6	2	1	6	8	8	6	7	1	2	3	4	3	3	6	6	5	3	4	2	6	5	5	7	5	5	4	5	4	3	2	6	5	6	4	2	4	0	4	5	2	5	3	3	2	1	4	7	6	1	2	7	0	3	8	9	7	3	7	8	5	8	5	1	2	4	2	2	3	2	3	4	3	3	3	4	5	4	8	5	4	3	4	5	3	5	3	4	2	10	4	1	8	3	4	4	5	7	6	7	7	4	1	3	3	5	3	5	7	3	5	6	5	5	8	4	4	4	1	3	9	10	7	4	5	9	5	6	12	9	6	2	5	6	2	2	3	3	2	2	2	8	4	2	4	3	2	5	3	12	2	8	4	3	2	2	6	5	2	5	2	5	3	6	3	7	8	4	8	7	6	9	6	4	8	8	10	1	3	11	3	6	5	8	7	7	6	5	3	2	2	5	5	2	3	6	6	4	3	7	9	7	8	7	2	3	5	10	5	3	3	3	3	4	2	10	6	2	5	5	6	1	0	3	6	14	7	8	3	14	3	5	5	4	7	3	5	7	3	4	6	5	7	1	3	2	3	1	7	4	2	1	4	3	1	3	9	11	10	5	6	7	3	2	4	7	7	1	4	6	1	0	3	5	7	4	9	7	6	5	9	9	4	11	9	0	5	7	5	3	5	7	6	8	4	12	3	3	5	5	10	5	1	2	2	5	1	2	3	5	3	10	8	7	6	1	4	5	6	10	2	4	8	6	5	3	6	10	9	10	8	8	2	1	1	9	9	9	9	4	3	9	8	13	12
+Bendiocarb	1	3	4	3	4	3	5	2	2	4	6	4	2	3	2	2	2	3	3	3	2	2	4	3	2	5	4	8	7	8	5	4	10	7	5	5	12	5	6	4	5	7	8	0	7	4	4	4	4	4	3	5	5	3	4	6	5	4	5	5	5	5	6	4	5	4	4	6	6	6	4	5	7	7	9	8	6	5	4	11	7	7	8	9	8	3	8	10	7	7	4	2	6	5	5	7	6	10	8	8	8	9	6	5	11	4	3	2	3	2	1	2	3	4	3	3	1	2	1	7	4	2	1	5	5	5	4	3	3	3	11	8	4	9	5	4	11	12	7	6	5	8	5	4	6	5	3	2	7	9	4	5	10	6	4	11	6	7	7	2	8	11	8	8	8	4	9	5	7	11	10	4	6	3	3	3	3	4	7	8	10	1	6	4	8	7	5	0	5	6	10	4	8	4	6	3	3	6	8	5	7	5	5	7	11	2	7	9	1	6	5	11	11	8	5	4	11	6	2	7	6	7	5	6	8	9	8	8	6	5	5	5	5	5	6	6	6	6	6	6	5	9	6	6	6	4	4	7	8	6	9	8	5	5	11	3	9	4	8	5	0	1	3	0	5	2	11	4	7	6	3	13	11	10	9	11	1	3	5	3	3	9	1	9	3	2	4	4	2	5	7	5	3	4	1	1	1	7	10	10	2	1	11	5	1	4	3	4	6	6	7	1	2	2	4	6	3	10	4	4	3	9	7	3	4	5	7	5	3	8	5	8	4	3	4	5	11	2	4	6	8	7	7	7	3	2	2	4	7	8	3	5	7	10	10	7	2	7	3	4	7	8	6	6	3	8	4	4	6	12	11	10	12	2	2	1	11	11	8	13	5	5	13	11	10	11
+Bifenazate	10	4	7	13	15	13	14	11	10	14	16	7	8	6	11	10	4	4	4	4	2	2	18	5	14	16	19	20	25	41	19	12	24	10	30	20	58	18	8	7	11	13	36	0	35	31	31	29	31	3	6	15	15	19	16	12	9	8	11	13	9	11	12	10	9	8	8	10	9	9	8	12	18	24	31	29	15	6	17	38	31	33	33	29	41	31	40	38	41	19	27	16	20	28	27	12	12	35	34	35	50	27	28	29	40	6	8	6	5	6	5	6	7	6	8	5	5	9	10	34	8	5	3	23	8	19	16	4	11	8	28	30	10	12	6	25	20	23	16	17	7	20	18	7	15	11	21	6	8	10	5	10	14	10	16	25	27	28	28	12	40	31	24	12	11	11	38	11	12	55	42	14	21	20	17	20	8	4	30	27	25	10	30	19	22	10	13	1	16	24	42	12	31	16	28	11	12	27	25	23	31	24	29	16	32	11	20	36	16	26	23	37	31	19	25	25	21	47	3	21	17	35	3	22	17	16	15	13	12	11	10	10	9	8	7	11	19	22	18	9	26	26	20	20	22	11	11	10	36	18	33	33	15	13	38	9	20	8	18	14	11	11	2	8	16	7	37	19	28	13	5	11	66	18	16	34	7	7	13	13	21	35	11	38	27	13	25	18	6	11	26	12	9	20	13	5	10	48	35	36	22	16	24	5	12	15	14	29	20	9	20	18	6	11	32	27	19	26	16	27	15	23	37	14	18	23	10	21	13	32	27	35	17	16	10	27	42	10	10	9	28	34	29	12	15	8	6	20	20	18	9	12	28	36	47	30	3	20	16	34	34	30	24	24	21	41	12	25	45	51	41	50	51	14	5	9	33	49	58	49	25	5	49	34	54	46
+Carbofuran	3	3	3	6	8	6	2	5	4	4	6	7	3	4	3	4	2	3	3	3	3	3	10	1	11	15	10	27	20	26	13	16	13	7	19	15	34	16	9	6	10	10	10	1	19	14	13	12	15	3	1	9	13	10	11	8	12	10	12	13	8	11	11	10	14	9	9	11	9	11	7	9	21	23	21	23	13	15	5	13	20	19	20	18	21	10	14	18	20	19	8	7	12	7	10	21	20	20	14	18	25	15	17	15	20	3	5	4	3	1	1	3	7	4	3	5	1	2	2	21	10	4	1	14	12	13	11	7	12	8	18	26	13	23	7	17	21	22	25	21	15	28	17	7	22	9	16	4	13	17	8	16	25	18	18	33	20	21	24	7	27	24	12	16	21	9	25	6	9	27	28	11	11	11	11	13	5	9	14	12	12	7	23	14	6	13	10	0	9	8	23	8	21	7	16	3	3	10	16	4	15	6	9	7	21	2	32	25	17	26	17	21	27	19	17	17	15	26	5	13	18	15	14	13	11	10	9	13	12	9	10	10	12	8	5	11	15	16	13	11	20	26	22	21	15	8	8	6	23	18	13	13	12	4	22	8	27	14	16	7	14	8	3	6	6	12	23	16	19	9	5	10	18	34	13	16	2	13	21	15	13	22	15	23	17	17	4	6	3	10	16	10	3	18	17	2	4	26	15	25	19	24	18	3	3	10	8	6	16	7	15	11	1	2	24	23	4	18	19	13	11	15	23	7	26	21	12	14	23	20	9	22	21	21	12	10	24	15	10	16	23	14	19	9	2	8	8	5	12	14	7	10	19	18	28	15	3	10	9	16	23	20	17	14	8	20	6	14	23	28	22	19	27	6	4	7	20	20	26	33	12	13	34	27	34	34
+Cycluron	4	4	6	6	6	5	5	6	6	7	11	4	5	6	8	8	5	4	5	5	2	2	6	4	5	8	5	12	10	11	9	8	15	6	14	9	22	9	5	4	7	6	9	0	13	9	10	10	10	5	3	6	6	3	7	6	5	3	4	4	6	5	4	3	5	3	4	5	6	5	3	5	6	9	14	9	5	2	4	14	12	12	11	9	11	7	14	12	8	8	8	3	9	10	10	3	4	11	11	12	14	5	8	7	13	4	2	1	1	2	1	1	4	5	7	4	5	9	9	19	7	8	6	8	8	6	7	2	3	2	11	19	5	16	6	7	15	13	11	10	7	14	10	5	12	5	6	3	9	11	5	9	14	11	8	18	15	16	14	6	18	12	11	10	10	4	18	10	11	22	16	8	5	6	4	4	5	4	9	9	8	5	11	2	10	7	4	3	8	12	20	4	18	9	14	7	7	13	16	10	14	11	14	10	13	7	11	12	3	13	10	12	17	12	7	7	7	11	1	4	12	6	4	11	8	6	6	5	3	9	6	6	5	3	5	6	7	9	7	6	12	9	8	5	13	7	4	11	19	5	7	7	6	6	15	3	8	9	9	8	4	3	4	1	10	4	20	8	14	6	4	9	16	13	26	11	6	5	4	3	9	11	6	17	8	2	6	5	1	5	8	8	2	4	4	2	4	16	17	11	5	3	19	4	4	8	6	17	6	7	14	1	7	9	6	10	9	20	7	7	7	6	14	4	5	11	3	6	2	13	10	12	4	3	4	9	15	2	6	8	13	8	12	9	5	4	5	11	11	7	5	6	7	13	18	6	1	8	7	11	11	13	7	11	7	12	5	14	18	24	13	18	23	5	2	3	12	15	16	21	8	7	22	18	20	19
+Diethofencarb	5	6	5	9	12	10	9	7	7	9	14	6	5	7	9	9	7	7	8	8	7	6	14	6	13	14	15	26	16	27	14	13	23	10	18	17	35	12	10	12	11	14	29	3	24	19	20	18	18	5	6	9	13	13	15	12	8	5	9	10	13	11	9	8	9	5	5	11	9	11	7	13	17	21	21	16	13	8	11	27	20	20	28	25	24	18	25	25	26	9	18	6	9	12	11	19	17	25	19	19	29	13	19	21	26	7	9	5	6	9	8	6	8	10	8	11	8	8	3	23	9	7	6	17	11	18	17	9	8	8	27	20	8	21	7	8	17	21	19	19	14	21	14	9	12	11	10	3	15	18	4	11	22	15	17	31	18	18	19	5	24	21	20	17	11	13	22	12	16	34	31	11	12	11	12	12	5	3	23	17	19	9	22	18	12	10	9	0	11	16	33	7	20	10	15	5	4	15	22	14	18	13	16	11	17	7	22	29	7	16	12	30	22	13	16	8	24	20	3	12	15	22	11	16	17	15	15	15	11	13	14	15	12	7	13	13	18	18	19	14	13	22	21	18	17	5	9	9	30	13	23	21	6	6	28	9	17	13	16	11	3	10	2	3	8	9	28	18	18	10	7	11	34	16	11	44	2	7	11	10	15	29	4	30	10	7	9	9	5	12	19	13	7	18	7	6	6	29	32	24	5	9	23	7	6	13	11	10	11	13	21	6	2	5	15	11	8	21	16	12	11	22	22	6	23	17	6	16	13	28	14	21	11	9	11	13	33	3	6	13	20	17	18	6	8	4	5	11	13	12	5	6	19	33	32	16	5	17	12	13	24	18	13	15	13	19	7	19	22	30	31	29	32	5	2	2	27	33	41	31	16	10	35	30	43	40
+Diflubenzuron	2	3	2	3	3	3	2	3	3	5	6	5	2	3	4	5	2	3	3	3	2	2	4	3	4	4	3	6	5	5	3	5	5	3	6	7	9	2	2	3	5	5	6	1	3	3	4	3	3	4	4	4	3	1	3	4	4	4	5	4	6	3	3	3	4	4	4	4	6	5	5	5	3	5	4	5	3	2	1	8	4	4	6	5	6	4	6	7	4	4	3	4	4	1	2	3	3	4	5	6	7	2	2	1	1	7	7	6	5	5	5	5	5	6	7	5	5	5	4	8	4	3	4	3	2	5	4	2	1	2	7	7	2	8	3	4	4	4	6	5	6	8	6	3	7	4	4	1	6	7	1	6	3	3	4	5	6	5	6	6	7	5	2	3	4	2	8	2	4	3	5	5	1	1	2	2	2	4	3	2	2	2	2	3	3	2	3	1	5	5	8	3	8	5	6	5	5	7	7	6	7	7	7	6	6	4	7	6	0	5	3	5	5	8	4	3	7	6	1	6	3	6	6	5	5	4	4	3	3	6	6	5	4	4	5	5	6	6	5	5	4	3	1	5	8	3	2	4	6	5	2	2	4	3	6	2	2	3	1	3	2	3	0	1	2	3	6	6	4	2	3	1	7	2	6	2	11	2	2	2	6	7	2	9	2	1	4	7	0	3	7	4	1	2	1	4	1	5	7	3	5	1	8	2	4	4	3	2	2	1	6	0	0	0	2	4	3	6	3	1	3	4	5	7	4	2	1	2	1	7	4	8	2	2	0	2	7	1	5	1	7	6	7	2	2	2	2	4	3	2	0	0	4	5	9	8	1	3	2	6	10	3	1	5	3	3	0	2	3	7	6	7	6	2	1	1	2	4	6	7	4	1	7	5	10	7
+Fenobucarb	0	1	2	2	3	7	2	1	1	4	6	1	2	1	2	2	1	1	1	2	0	1	8	2	4	7	3	14	10	10	5	11	5	5	7	8	15	8	5	6	6	7	4	1	4	5	4	3	5	1	0	3	3	5	6	7	5	4	4	4	4	7	7	6	6	4	4	5	4	5	2	4	13	13	10	12	7	8	3	9	8	10	13	12	10	7	6	9	11	8	6	4	7	4	7	12	13	12	9	10	14	10	12	6	8	2	1	1	2	2	1	2	6	2	1	4	3	5	4	10	8	4	2	6	5	6	6	6	4	4	9	11	6	12	2	8	9	9	14	12	9	14	10	5	10	5	7	5	8	10	3	14	14	11	8	14	7	5	6	1	5	13	5	6	7	4	9	4	6	10	12	5	3	5	5	7	3	3	7	5	5	2	10	9	2	6	4	0	4	8	11	5	11	5	13	3	3	7	10	6	10	5	8	4	5	3	14	13	10	8	3	6	11	9	8	8	10	9	3	7	10	2	7	6	9	7	7	8	7	3	4	4	5	3	6	3	9	10	9	3	5	14	11	9	7	4	2	3	10	9	5	5	3	3	9	6	13	9	9	4	8	9	4	1	3	13	11	7	9	2	5	3	7	13	5	7	2	15	11	12	4	7	9	9	4	6	2	3	0	7	9	3	1	7	8	2	4	9	9	9	7	10	7	3	3	5	3	6	5	1	8	3	0	2	10	11	3	9	10	6	6	7	12	5	14	9	6	9	12	6	5	9	10	11	6	3	11	6	7	9	7	5	11	4	2	2	1	7	4	6	2	3	3	10	10	6	1	7	1	2	7	5	4	3	0	8	3	4	10	12	11	9	11	7	1	2	10	6	9	12	6	9	10	9	14	15
+Dioxacarb	1	2	6	4	6	10	6	3	3	3	8	3	4	3	3	3	2	2	2	2	3	1	12	0	13	12	11	20	16	22	12	11	11	7	12	11	25	5	7	6	9	10	8	1	15	17	17	16	17	2	3	7	7	9	8	9	10	7	9	10	6	11	10	8	11	7	8	9	6	9	5	6	16	16	16	16	13	14	5	12	16	16	17	15	14	6	8	16	20	7	5	7	15	8	10	18	16	19	12	15	22	15	17	16	15	3	4	2	2	4	2	2	6	2	2	7	4	5	5	16	8	7	3	16	9	12	10	10	12	10	21	12	8	19	4	11	13	19	22	20	16	20	14	8	15	13	13	5	10	11	2	13	16	15	11	26	10	6	11	3	14	21	17	9	10	10	18	9	10	24	17	10	2	12	11	7	0	5	14	15	12	6	15	15	3	10	6	1	8	7	15	11	8	5	7	1	1	6	7	5	7	6	7	5	13	4	22	18	10	13	8	10	13	12	12	12	13	18	6	3	11	9	12	9	11	9	8	11	9	7	6	6	12	7	3	9	8	10	8	9	11	23	15	14	6	1	5	5	17	11	8	7	6	3	17	9	21	12	8	5	9	8	0	4	3	9	17	12	11	7	7	5	13	21	4	11	2	11	28	12	7	16	11	8	4	12	2	7	0	10	8	9	1	10	10	2	3	21	14	17	12	13	7	3	3	4	3	6	6	5	6	2	0	2	14	9	3	4	14	15	16	15	14	6	20	14	2	9	18	7	5	7	11	11	9	5	20	6	4	12	9	11	6	1	3	5	6	4	4	6	6	9	12	16	16	11	3	10	9	17	17	8	11	12	5	10	4	7	17	16	16	21	18	5	1	2	16	10	17	18	10	7	19	14	28	27
+Promecarb	1	0	0	5	5	9	5	1	1	3	5	6	2	0	2	1	0	0	0	0	1	2	8	0	6	9	7	18	16	12	7	11	7	4	11	7	20	10	6	6	7	4	4	0	4	3	2	3	4	0	0	4	8	5	8	4	3	3	5	8	4	5	5	4	5	3	3	5	3	5	3	4	14	17	12	13	11	9	3	9	9	11	13	13	15	10	9	11	16	8	6	3	7	4	6	15	14	11	9	11	16	11	11	9	13	3	3	3	4	3	3	3	5	5	5	2	1	2	2	12	7	4	1	9	8	10	9	6	10	6	11	17	6	15	2	10	15	14	16	16	11	18	14	6	16	9	15	4	9	13	3	12	17	15	13	17	11	13	13	7	17	12	8	6	8	7	15	3	7	15	17	4	4	8	5	11	1	6	9	6	6	1	13	8	1	7	10	0	3	7	13	5	17	1	11	3	2	8	12	5	9	7	6	2	6	2	17	14	13	15	11	5	13	11	11	10	13	18	4	4	7	8	9	8	4	5	4	7	5	3	4	4	5	3	4	4	8	11	9	4	9	16	16	8	9	6	4	4	11	8	4	4	4	3	11	7	18	9	7	3	10	7	0	2	3	10	13	10	12	3	3	3	13	15	3	10	2	12	12	20	10	9	11	12	10	10	3	2	0	5	12	3	1	12	11	2	4	18	10	10	10	14	3	4	2	6	4	0	9	3	3	6	0	1	13	11	4	3	12	9	10	10	13	7	17	10	6	10	12	10	8	8	15	16	6	2	13	8	5	8	9	7	6	3	2	4	3	4	4	6	6	7	9	13	20	10	1	5	2	7	13	13	9	4	4	9	5	6	13	11	7	13	15	4	1	4	14	10	16	19	10	10	18	16	20	20
+Fenoxycarb	6	0	4	2	3	3	1	3	3	3	8	7	2	4	5	4	0	0	0	0	1	1	9	2	5	12	4	14	15	20	8	9	10	3	19	11	28	11	6	3	8	6	13	1	17	13	14	11	13	2	2	6	4	4	9	5	10	7	8	12	9	9	8	7	12	7	7	9	7	10	5	8	15	18	24	15	13	5	8	21	20	17	14	13	18	14	15	20	19	15	12	10	15	15	17	13	9	17	18	20	25	18	22	20	20	3	3	1	1	3	3	4	4	8	7	5	6	8	7	20	8	8	4	9	12	11	11	9	14	9	16	21	4	17	3	22	14	17	11	11	10	12	10	6	11	9	14	3	7	10	2	7	10	9	9	19	16	16	21	11	24	18	17	11	14	11	22	7	8	33	26	8	10	10	6	7	2	7	18	16	16	6	15	10	9	12	10	2	9	10	25	5	17	6	20	7	5	14	16	11	17	13	13	10	18	4	14	22	8	17	14	17	17	8	14	12	20	24	5	8	11	21	7	5	7	9	8	12	10	8	7	6	11	7	4	10	9	12	8	10	22	11	11	12	14	5	3	8	14	11	15	14	13	6	19	6	13	7	9	9	11	3	2	4	8	3	23	16	19	6	4	3	21	13	9	15	6	4	7	10	37	20	11	17	14	7	11	8	3	9	12	6	0	9	10	2	3	27	16	23	18	15	13	1	4	11	8	14	11	9	10	10	3	4	14	17	7	14	11	18	9	10	26	8	17	11	8	14	10	15	8	14	12	12	6	12	24	10	7	7	11	19	13	7	11	13	12	11	13	13	7	9	16	22	29	18	2	9	6	20	20	18	15	19	18	23	12	18	28	28	24	22	27	10	4	7	18	28	34	26	11	4	26	20	35	29
+Indoxacarb	14	12	8	14	15	12	13	11	9	15	25	14	8	10	11	13	12	13	14	14	11	10	28	13	20	28	14	27	24	40	18	19	36	20	44	17	63	16	8	17	29	33	40	4	35	29	31	30	30	9	7	28	25	33	27	26	29	23	26	31	32	32	32	24	32	22	21	26	27	28	19	26	28	28	32	28	16	11	18	42	34	31	43	35	48	32	46	53	74	26	30	19	29	25	28	26	20	52	47	62	67	36	41	48	50	10	17	9	14	13	15	14	17	16	20	14	14	23	12	45	20	12	11	31	22	39	40	14	18	24	75	27	10	22	8	21	22	24	26	26	15	28	18	11	17	15	27	3	10	13	7	13	17	15	19	32	24	21	22	10	26	47	51	32	32	30	68	32	36	85	65	29	17	32	29	14	6	19	38	29	28	12	42	25	16	22	17	1	19	27	55	17	28	17	31	13	12	25	23	20	25	25	24	19	40	13	30	51	16	35	24	48	33	19	28	22	35	55	7	15	23	39	18	19	20	31	29	35	30	27	29	30	27	22	21	31	31	40	37	28	27	23	17	23	29	9	11	13	42	17	29	27	15	27	48	9	46	17	10	9	12	7	4	12	14	7	52	22	32	15	6	9	35	22	11	29	7	7	16	9	20	141	12	30	23	11	16	28	8	7	29	30	6	20	17	10	8	43	50	35	35	25	21	5	4	12	19	23	29	16	18	9	0	4	24	29	9	23	32	32	20	33	42	14	31	28	20	31	24	21	14	25	18	16	13	24	70	13	18	25	29	54	23	8	15	16	17	25	24	36	20	22	35	52	48	43	8	34	15	47	62	36	31	48	26	36	26	23	41	73	72	70	75	13	6	6	54	41	70	51	20	6	45	35	59	49
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+Benzoximate	1	2	1	3	5	6	6	6	5	7	5	3	1	3	5	5	2	2	2	2	0	0	6	3	6	8	6	3	8	15	4	10	7	1	15	10	22	5	1	6	13	11	10	6	18	16	15	15	15	6	5	12	11	11	10	10	9	8	8	11	13	15	13	12	13	9	8	7	15	11	6	13	8	20	11	13	9	8	12	14	13	15	14	12	20	15	16	14	16	11	12	10	14	12	11	15	11	16	16	16	26	14	15	12	18	10	8	10	4	4	4	9	6	7	5	3	5	10	5	22	13	6	5	15	6	15	17	7	5	4	23	12	2	2	2	11	6	10	3	6	1	3	3	1	3	2	10	1	1	3	0	2	3	4	3	5	12	12	10	4	11	21	12	13	19	25	27	17	20	26	29	13	10	9	10	5	3	10	14	10	11	4	9	11	12	6	10	1	7	12	20	3	13	4	10	6	6	14	11	11	14	11	14	7	18	2	3	13	6	13	12	16	7	10	11	8	15	17	1	8	3	21	7	10	10	13	11	15	15	12	13	13	13	8	13	12	19	20	22	10	14	2	1	9	13	5	5	4	10	13	7	6	9	13	14	3	8	1	6	2	10	2	0	4	8	2	21	18	10	0	2	4	25	4	6	9	4	2	2	3	11	16	10	14	9	5	35	12	2	3	15	12	1	6	8	1	0	19	19	16	10	3	7	3	7	8	7	12	12	5	8	8	1	2	3	10	11	11	13	8	8	8	9	8	9	6	11	9	12	16	10	15	10	10	2	14	26	4	7	1	14	14	14	5	9	8	7	12	13	21	7	8	12	27	11	16	2	10	7	13	21	16	11	13	6	11	7	12	14	20	20	19	18	8	2	1	18	19	26	18	10	2	19	15	10	10
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+Carfentrazone-ethyl	5	4	6	6	6	9	7	6	5	6	7	9	6	7	5	7	4	4	5	5	2	4	17	4	13	14	11	18	15	28	14	24	20	7	32	17	41	11	5	20	23	24	27	8	24	24	26	25	26	16	12	15	14	12	22	21	23	20	26	22	27	22	21	20	28	21	18	24	30	25	15	26	15	22	21	12	11	5	9	22	15	17	19	12	25	24	18	21	22	36	14	7	19	10	10	15	11	19	16	22	31	18	19	23	27	21	25	22	18	24	24	23	22	14	19	16	13	17	11	33	23	7	10	22	10	17	18	9	12	11	36	21	2	16	5	23	16	16	16	17	9	21	9	4	12	11	13	5	6	10	2	8	15	7	9	25	13	12	13	6	14	42	18	45	46	27	55	37	40	47	59	22	16	10	12	6	0	11	29	30	31	9	15	17	11	8	11	0	20	12	41	14	17	10	16	4	4	15	12	11	13	13	13	15	29	7	21	30	18	34	40	27	24	15	14	20	30	38	4	10	12	23	11	16	22	24	23	30	22	26	27	27	28	21	29	27	42	45	43	26	16	20	16	13	24	2	6	8	23	12	18	18	11	21	21	7	20	6	11	5	9	5	0	3	11	6	36	20	19	9	4	7	26	16	8	19	7	9	8	12	12	29	9	21	15	16	15	20	5	9	83	22	6	12	12	1	5	28	24	20	23	9	12	3	7	12	23	14	20	9	10	5	2	2	17	22	9	11	22	22	16	21	19	9	23	17	22	16	12	20	13	19	19	18	9	22	41	10	12	17	17	37	15	9	8	12	9	4	13	15	11	6	23	28	50	36	14	16	9	25	46	19	15	19	10	16	7	15	30	25	40	20	29	8	1	1	35	25	44	40	15	6	37	24	43	38
+Fenhexamid	5	7	7	8	8	8	6	6	5	6	9	6	5	6	7	7	5	6	7	7	8	7	14	9	10	12	6	15	12	26	8	13	17	9	28	7	25	7	3	15	16	19	18	2	18	21	22	19	22	14	12	19	8	13	15	15	15	13	15	10	16	19	19	17	16	13	12	14	19	16	11	16	11	16	14	12	12	8	9	20	14	12	17	15	12	9	16	17	16	18	10	10	11	8	9	12	8	20	18	25	25	11	16	14	17	16	21	15	10	12	14	13	10	11	18	14	10	20	12	16	10	7	10	11	12	13	11	7	9	4	20	14	7	15	5	11	11	12	15	14	9	12	10	11	8	8	9	4	8	11	3	11	10	9	6	18	9	8	7	5	9	18	24	13	22	26	33	14	16	32	37	17	7	14	13	5	2	8	21	19	20	2	15	18	8	8	12	2	13	13	26	12	13	11	17	9	8	9	14	6	12	11	9	9	27	5	14	17	7	19	25	19	18	10	12	11	24	23	2	10	15	12	14	15	18	19	15	22	20	19	17	19	17	13	16	18	21	17	18	17	18	5	6	12	19	4	7	9	16	8	17	16	11	13	20	6	18	8	2	8	9	2	2	3	7	2	28	14	13	4	2	5	12	10	8	13	4	3	9	3	6	30	9	15	11	12	12	22	2	1	22	47	3	9	9	2	4	27	21	16	19	9	14	6	3	7	16	14	12	3	12	6	3	2	15	21	6	15	17	19	9	15	23	7	20	13	11	13	7	9	10	16	14	12	7	15	27	9	8	11	15	35	13	4	8	8	8	13	13	13	7	11	13	19	21	21	1	10	11	20	30	11	10	19	8	10	4	16	27	32	27	25	33	4	3	3	24	15	28	23	9	4	23	13	34	28
+Flutolanil	5	4	2	3	4	3	3	3	3	3	3	2	3	2	3	3	3	4	4	4	4	3	4	4	4	3	4	6	5	10	3	3	4	5	5	4	11	6	1	4	5	4	6	1	5	4	6	5	6	5	5	5	4	5	5	3	4	4	5	5	5	4	3	4	4	4	4	5	5	5	5	5	3	7	5	6	4	1	2	4	3	2	6	1	4	4	4	4	1	2	2	2	5	1	1	3	3	6	2	6	7	3	3	3	5	4	5	6	4	3	3	4	4	4	3	3	2	3	2	7	1	2	2	3	3	2	4	2	2	3	8	7	4	3	6	6	2	4	6	5	3	7	5	3	4	2	3	2	4	7	2	3	3	3	3	7	5	5	4	2	3	6	4	3	4	6	8	1	3	9	9	5	0	3	4	2	1	1	6	3	3	2	5	4	2	3	5	0	3	4	9	6	6	2	4	3	3	5	4	4	5	4	5	5	7	4	8	6	2	6	6	8	6	9	3	7	6	7	1	1	7	6	4	5	4	3	3	4	4	6	5	6	4	4	7	5	9	9	8	5	9	3	1	6	1	2	1	2	5	5	5	5	4	4	5	4	5	4	1	3	2	4	0	0	4	1	9	6	5	3	1	3	9	3	2	7	1	1	1	1	0	6	2	5	5	4	1	3	1	1	6	3	12	5	4	3	8	9	7	5	5	2	7	3	3	5	3	4	7	5	2	2	1	3	7	8	5	4	3	5	3	9	6	3	7	6	0	5	2	3	2	7	6	5	1	3	7	2	5	4	4	11	3	1	0	4	4	4	2	3	6	6	5	6	10	4	2	4	1	6	5	8	3	6	5	6	3	3	7	7	5	4	6	2	3	3	7	5	8	8	3	1	7	5	11	12
+Furalaxyl	9	3	4	5	7	8	3	3	3	8	9	6	5	7	6	7	5	4	5	5	4	3	13	2	9	8	10	17	22	21	15	15	10	6	18	17	38	12	9	8	11	10	19	3	14	15	15	14	16	6	5	4	4	7	11	5	10	7	9	6	11	9	8	8	9	6	7	9	7	8	5	9	16	20	19	14	11	7	7	20	14	13	18	15	20	16	19	22	23	7	11	10	12	9	9	15	11	20	14	17	25	14	20	17	20	8	8	7	6	4	5	7	6	7	6	6	4	7	3	18	11	6	3	8	10	8	6	7	16	8	13	20	9	20	5	16	18	20	20	19	13	21	16	7	17	8	17	5	11	11	5	12	13	14	16	29	18	19	18	9	22	16	11	9	15	9	19	9	10	22	24	6	11	6	6	10	2	4	17	17	18	8	14	12	4	9	6	1	13	14	23	14	20	5	17	4	3	10	15	7	12	10	8	13	13	3	22	25	16	29	18	18	15	14	13	22	23	26	4	9	14	19	7	9	7	8	6	11	6	10	11	12	12	7	11	9	12	12	13	9	20	22	14	18	16	5	11	8	21	14	12	13	9	8	24	8	15	10	6	3	9	12	2	3	9	7	26	18	19	6	4	4	20	18	4	18	2	7	10	12	9	20	10	19	16	20	6	7	1	7	12	9	5	41	18	5	9	30	14	21	20	15	12	3	5	11	7	10	19	5	13	11	5	5	19	17	10	13	11	11	6	15	20	7	20	22	9	14	12	21	12	16	14	15	8	10	23	11	10	14	16	22	15	4	3	8	5	10	17	12	6	6	11	21	30	15	1	8	10	16	22	15	11	13	9	19	3	15	24	26	20	17	30	7	5	7	24	24	38	32	15	6	30	28	40	37
+Kresoxim-methyl	7	3	4	3	4	6	1	1	1	3	2	6	4	2	2	3	2	3	3	3	4	4	12	6	8	9	8	15	18	23	11	13	3	4	17	9	28	13	7	4	6	2	10	1	7	11	11	12	11	4	1	2	8	7	11	1	2	2	2	2	4	2	2	2	2	2	2	2	2	2	1	4	15	18	18	17	6	6	6	15	13	12	17	12	18	13	15	16	17	9	8	5	10	10	10	13	13	16	15	15	21	12	14	17	17	4	5	4	5	3	4	7	8	6	5	2	3	6	5	16	11	7	4	9	8	10	11	7	9	8	14	20	10	13	2	17	20	20	17	18	9	23	17	8	20	10	17	5	7	7	7	11	15	12	17	24	13	10	9	5	14	13	10	5	6	9	22	6	7	25	16	6	4	5	5	8	1	5	12	11	11	4	19	15	2	7	9	0	4	4	21	5	17	2	18	7	5	10	9	5	9	8	5	5	21	5	19	23	19	24	13	12	19	10	16	18	19	24	7	9	10	15	6	6	5	3	2	3	2	6	5	5	4	2	8	4	8	10	4	3	18	17	11	17	10	5	1	5	12	9	4	5	13	5	16	7	19	6	5	2	15	6	0	6	6	8	21	10	16	1	3	1	13	17	4	7	1	8	10	11	10	17	16	6	11	16	8	9	1	6	12	9	4	18	29	5	6	26	18	22	20	18	2	3	5	6	2	15	25	4	3	11	1	1	21	24	7	3	10	10	4	19	21	8	24	19	7	14	16	6	5	6	14	16	9	3	16	12	10	10	7	10	4	1	2	11	7	11	11	10	9	6	7	19	27	16	1	14	3	11	22	17	12	16	5	17	4	5	24	26	18	17	25	9	3	6	18	17	29	23	10	7	22	16	29	28
+Mepanipyrim	9	5	4	5	6	7	5	5	5	7	10	5	5	6	5	5	5	5	5	5	5	5	8	5	6	2	5	6	7	6	6	4	4	7	8	5	10	5	4	2	4	3	6	0	2	2	2	2	2	4	3	2	1	1	5	2	2	2	3	4	4	3	2	2	2	2	2	4	2	3	3	4	4	5	4	4	2	2	3	7	4	3	6	7	7	3	7	7	10	2	6	2	5	3	3	4	4	8	6	8	8	6	6	8	5	5	6	6	6	4	5	5	6	5	4	6	7	10	6	7	3	6	7	5	3	5	4	2	1	1	6	4	5	6	4	2	3	3	8	9	10	9	9	6	9	4	5	3	6	7	3	6	4	3	5	6	4	4	5	3	6	6	3	3	2	5	4	3	4	2	4	5	4	1	1	6	1	4	7	7	6	1	9	8	2	3	5	0	4	5	8	6	7	2	9	6	6	9	9	8	9	8	9	8	5	8	9	6	2	7	5	5	7	6	3	3	8	5	1	1	7	3	6	5	4	3	3	4	4	5	5	5	4	2	5	5	5	5	5	4	6	4	3	4	6	0	0	1	6	2	2	3	0	2	10	5	3	6	2	4	2	5	0	1	4	2	4	3	4	2	1	1	5	2	2	6	4	2	2	2	2	10	2	8	4	6	1	4	1	3	1	2	3	5	5	12	4	8	7	5	2	2	6	3	10	5	5	2	3	1	3	2	0	0	6	6	6	4	5	2	3	6	5	6	6	6	4	3	2	6	4	8	5	4	1	2	7	2	4	5	6	5	4	0	0	0	0	5	5	3	0	1	4	6	8	7	0	9	2	2	11	6	3	3	2	5	2	4	4	6	11	7	9	5	2	2	4	7	8	9	6	2	7	6	9	7
+Mepronil	5	2	4	3	4	5	2	2	2	4	6	3	3	4	4	4	2	2	2	3	4	3	6	3	9	2	3	8	6	12	8	8	8	4	7	8	14	6	3	3	6	3	7	2	3	5	4	4	5	4	3	4	3	3	3	3	4	3	4	4	5	3	3	3	4	3	3	4	3	4	2	5	4	10	5	5	4	2	3	9	3	6	8	5	8	7	6	8	9	3	4	1	5	4	5	5	5	7	7	11	12	8	8	10	8	3	3	3	3	4	4	6	3	4	4	3	2	5	5	9	3	4	3	3	3	2	3	0	0	1	5	9	4	9	4	4	8	6	11	10	8	10	10	5	10	6	8	7	7	8	9	9	4	5	9	12	7	4	7	2	7	6	2	1	3	4	6	2	2	11	7	5	5	1	3	4	1	0	6	6	6	0	9	7	1	3	1	0	4	5	10	5	10	5	7	3	3	6	8	4	4	8	5	7	8	7	12	9	5	7	8	8	8	7	6	7	5	12	0	1	6	3	3	3	2	3	3	3	3	5	5	5	5	3	6	4	8	8	5	4	6	10	8	11	4	2	2	1	7	7	4	4	3	2	9	4	7	5	2	4	5	10	0	0	6	5	11	11	12	2	3	1	10	4	4	6	1	4	3	4	3	8	5	6	7	8	0	2	0	5	5	4	8	9	6	4	14	8	7	12	6	6	6	1	6	7	4	7	4	8	3	2	0	1	10	8	6	4	4	2	2	13	8	6	9	12	0	8	6	6	3	7	7	6	3	3	10	5	7	8	6	3	7	0	1	3	2	7	5	1	2	2	7	8	12	2	0	7	0	3	4	8	2	5	1	8	1	3	7	8	8	3	8	5	3	2	8	9	14	13	8	2	12	9	14	14
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+Myclobutanil	8	5	6	13	14	10	13	7	5	10	20	5	6	4	5	5	3	4	5	5	5	6	17	8	16	14	16	19	23	30	15	14	26	13	29	16	56	17	7	7	18	19	31	2	34	33	35	32	32	7	4	20	19	19	13	16	17	14	14	15	15	14	13	13	17	12	13	13	15	13	9	14	14	23	32	28	11	7	19	44	25	24	33	27	33	21	37	37	41	26	23	17	27	25	24	12	15	37	36	37	47	27	34	30	42	5	6	3	10	3	6	8	8	6	7	6	8	15	13	33	15	4	4	19	14	15	15	3	5	6	35	34	6	14	8	22	20	25	18	19	8	18	12	4	14	12	26	7	8	12	2	9	14	16	13	25	26	19	22	9	28	34	30	18	20	26	40	16	21	55	60	20	13	24	18	11	7	10	29	26	27	11	34	20	20	13	17	3	20	17	41	14	27	17	25	11	11	27	26	23	29	22	25	17	27	9	19	32	14	44	39	34	40	21	23	22	26	50	4	14	22	34	4	22	19	22	20	15	16	18	16	16	15	13	17	15	25	29	24	13	29	16	11	16	21	10	9	17	38	16	27	26	11	13	30	6	25	13	11	7	10	6	3	7	16	10	40	6	27	11	11	10	35	15	17	32	7	9	14	10	16	50	10	31	21	14	19	21	5	10	24	21	7	14	18	7	7	47	70	38	22	20	24	7	9	15	20	29	21	12	18	13	2	8	24	21	19	25	14	36	23	29	31	11	27	21	17	22	18	21	22	30	16	17	15	27	42	7	12	17	26	38	26	9	11	15	15	30	24	29	15	15	37	46	34	31	4	30	18	37	39	37	32	35	23	40	23	30	45	61	51	59	61	11	4	5	40	42	55	53	17	4	52	27	52	37
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+Picoxystrobin	8	2	8	6	8	6	3	4	3	3	13	10	2	0	0	1	1	2	2	2	4	4	15	4	10	12	10	18	25	32	11	13	11	3	24	11	45	19	6	7	13	10	17	2	15	17	17	17	17	6	5	10	10	8	14	5	14	10	15	13	13	12	11	11	15	11	10	13	13	14	10	12	20	22	24	27	13	9	6	25	17	15	30	13	25	19	31	26	29	15	16	12	22	23	25	20	22	31	33	30	38	27	24	29	26	7	7	6	7	7	7	9	12	10	10	1	1	8	9	24	13	4	2	13	8	10	12	9	15	10	25	32	12	15	9	29	27	26	18	16	9	24	20	6	19	9	17	3	5	7	7	9	14	16	19	31	22	20	19	10	23	26	20	13	13	15	35	10	14	49	31	11	6	11	8	9	2	8	14	9	8	7	24	10	4	13	9	1	6	8	27	4	34	3	25	6	6	18	15	12	16	14	14	10	20	2	21	23	18	41	26	28	27	23	14	26	19	41	9	11	21	27	6	13	8	10	8	15	12	12	13	12	16	11	13	15	16	25	20	15	31	13	10	12	13	10	5	2	16	13	22	22	17	22	26	5	23	7	5	6	21	6	0	6	13	7	28	18	20	1	5	2	22	19	5	5	5	7	12	10	18	35	21	14	28	18	10	11	4	6	23	19	5	20	20	2	6	38	22	27	61	20	3	4	4	11	11	19	29	5	3	17	1	2	24	37	11	7	19	18	9	15	37	10	21	21	14	17	16	15	13	10	21	21	8	12	29	15	12	14	14	36	11	1	3	10	7	13	11	17	11	12	16	31	48	20	3	15	2	19	27	21	17	28	17	21	11	14	36	40	33	26	41	13	6	9	21	26	50	35	14	7	39	31	44	43
+Piperonyl butoxide	2	0	2	6	8	5	2	2	1	2	10	5	2	1	1	0	0	0	0	0	1	2	8	0	9	14	4	19	22	25	9	10	9	9	19	8	29	15	8	3	8	4	14	1	13	11	10	10	11	0	1	8	10	13	6	3	8	7	8	9	6	7	7	7	9	7	7	8	5	7	5	6	15	20	16	17	9	11	7	13	17	15	21	12	20	10	14	18	23	9	10	12	15	9	11	13	14	20	14	20	26	18	20	23	23	0	0	0	2	2	2	3	4	3	2	0	1	4	4	20	8	5	1	10	14	13	15	6	5	8	22	16	8	16	5	14	20	19	21	20	8	29	14	6	17	8	17	4	6	7	6	11	18	23	16	33	11	9	10	4	10	10	22	8	6	8	22	4	7	30	22	7	4	15	12	9	0	3	14	9	9	4	24	14	7	7	9	0	2	8	22	3	12	1	13	2	2	8	8	5	9	7	7	3	10	2	27	20	17	24	6	15	19	10	16	19	8	32	7	14	13	20	11	5	4	6	5	8	6	6	7	7	10	6	7	8	5	10	7	8	20	22	13	10	11	4	3	4	14	8	17	15	13	4	22	5	24	9	5	2	13	7	0	6	5	9	18	8	15	3	6	1	16	24	3	9	1	10	13	14	15	25	14	3	17	18	3	3	0	8	9	9	2	15	18	2	6	27	20	26	20	37	1	3	3	6	7	9	20	4	1	16	0	1	25	28	3	4	21	13	8	22	29	9	24	16	2	12	23	8	5	6	21	21	10	5	21	15	9	15	7	9	6	1	2	8	6	9	5	13	3	8	10	24	30	16	3	13	6	10	23	13	9	18	8	15	9	6	25	32	22	25	30	4	7	9	13	29	36	25	10	9	26	18	35	33
+Prometon	6	9	6	8	8	9	7	9	8	12	18	9	5	8	9	10	7	8	9	9	7	7	19	9	8	13	10	21	21	22	11	15	23	9	19	13	36	11	7	10	7	14	24	1	19	13	16	16	15	8	4	11	8	7	15	10	10	8	9	11	10	11	10	10	11	8	10	11	11	12	10	10	11	13	23	14	14	5	9	29	18	16	21	19	17	15	17	20	16	8	14	5	16	11	13	12	11	19	20	20	25	11	14	12	18	11	10	6	3	6	4	5	7	9	10	9	9	15	10	24	4	7	7	19	16	9	8	4	7	5	19	22	7	21	13	12	22	20	21	23	12	22	14	9	17	7	7	3	14	20	6	15	23	15	15	36	27	25	28	8	31	27	22	15	14	10	22	11	14	37	21	14	10	8	8	11	9	8	16	16	14	10	16	11	23	8	8	4	15	16	29	14	25	13	17	9	7	17	22	12	19	14	16	20	23	8	22	28	1	17	17	27	33	20	15	7	26	13	1	12	19	13	11	17	15	15	13	12	11	15	10	11	11	11	6	12	15	18	14	12	18	18	12	14	16	8	11	16	30	16	18	17	11	8	20	5	12	16	8	12	2	6	6	3	11	9	34	17	23	14	7	11	24	18	19	23	8	7	7	3	13	21	2	36	14	3	7	15	4	8	12	14	7	12	2	6	6	26	24	18	3	1	47	6	7	13	11	25	8	15	28	2	6	9	7	10	14	34	17	11	15	24	27	6	14	13	8	20	3	27	19	35	8	4	6	11	25	2	8	12	28	18	29	10	14	9	12	23	24	11	9	17	12	25	33	14	4	13	10	18	22	21	11	26	18	25	8	23	30	37	32	35	37	5	5	6	26	31	31	32	15	9	37	34	44	43
+Pyracarbolid	2	4	2	2	2	3	2	2	2	2	2	2	2	2	3	3	3	4	4	4	4	4	5	4	3	3	5	6	6	7	3	7	4	1	6	5	8	4	3	2	5	4	4	0	4	3	3	3	3	1	2	2	2	1	5	2	2	2	3	2	3	3	2	2	2	1	1	3	3	3	2	3	4	6	6	5	4	3	1	8	5	4	7	5	5	2	6	6	5	4	2	3	3	3	3	7	5	6	5	5	6	5	6	3	7	3	3	3	1	2	1	1	3	5	4	3	3	5	1	6	5	4	2	7	4	5	6	3	3	3	7	6	3	7	4	3	3	3	6	6	5	5	5	7	5	7	7	3	5	9	1	7	5	3	2	6	4	4	3	1	4	5	4	5	5	3	7	5	7	7	7	2	0	2	1	3	1	3	5	5	5	2	4	5	4	5	7	0	4	3	8	2	5	3	4	2	2	4	8	4	6	4	4	4	7	3	5	5	6	5	6	5	7	4	4	8	9	8	3	3	7	4	5	4	6	4	4	3	3	3	3	3	2	3	3	3	3	3	3	3	7	5	6	4	3	1	2	5	6	6	3	3	3	6	6	5	5	2	5	3	2	2	0	1	5	2	9	2	4	3	3	5	5	3	4	7	2	3	3	4	1	5	3	7	5	5	3	5	2	2	3	6	3	3	3	3	1	6	7	4	4	3	6	10	3	5	3	6	3	3	5	0	1	1	5	4	4	9	5	6	4	4	8	6	4	4	2	4	4	6	3	4	4	4	2	3	7	2	3	3	6	7	4	0	2	0	1	5	4	1	3	5	4	7	6	6	1	3	1	7	8	3	2	6	0	5	1	3	5	9	7	8	9	3	2	1	5	4	7	5	3	4	8	6	9	9
+Pyrimethanil	6	4	7	4	5	7	4	3	3	6	8	5	5	4	4	4	3	4	4	4	4	4	6	4	5	1	7	8	7	9	10	7	9	6	10	8	13	6	3	2	6	5	8	0	2	2	2	2	2	3	3	2	4	3	7	4	6	6	7	7	7	4	5	4	6	5	6	6	8	8	6	8	4	6	6	4	3	3	4	8	7	10	6	6	11	9	6	7	6	3	7	6	5	6	7	4	4	5	7	9	11	8	6	6	6	4	5	4	4	4	4	4	5	5	4	4	5	9	5	7	5	5	5	4	3	5	4	1	1	1	6	7	5	8	4	4	6	4	10	10	11	12	8	5	12	5	5	4	8	9	5	8	6	3	7	9	8	7	9	4	10	7	1	2	2	3	3	3	4	4	4	5	4	3	3	7	1	4	10	10	9	1	12	8	5	2	6	0	5	4	7	6	8	5	10	5	5	10	7	8	9	9	10	8	6	10	12	9	6	6	7	5	11	7	3	6	9	7	1	0	8	5	5	5	4	4	4	5	4	7	8	7	7	6	5	8	8	8	8	8	8	6	5	6	5	0	0	3	11	4	2	2	1	6	10	5	5	6	3	4	4	7	0	1	5	4	7	7	6	2	2	1	12	3	4	6	4	3	3	2	4	4	4	7	6	5	7	4	2	4	7	3	3	5	5	10	6	8	9	7	4	3	7	3	13	7	3	5	3	2	5	2	1	1	7	10	7	5	5	4	7	8	7	7	5	7	3	5	4	9	8	9	6	5	1	5	11	3	7	6	6	5	8	0	1	1	1	3	3	1	1	1	1	7	10	7	0	9	3	3	10	4	4	3	1	5	1	4	5	7	9	7	8	9	2	2	3	10	13	13	9	2	12	8	13	12
+Pyriproxyfen	6	3	7	4	5	4	2	2	2	6	7	5	4	2	3	4	3	3	3	3	4	5	8	5	5	3	6	14	10	13	10	9	7	8	13	12	18	9	7	6	7	6	9	1	11	7	7	6	6	7	4	5	9	4	9	4	11	7	9	9	9	9	8	6	11	8	7	8	8	7	4	8	7	11	11	9	7	4	4	9	11	12	10	8	14	11	10	10	8	8	5	7	9	7	7	10	9	12	9	9	16	8	8	11	10	7	7	6	3	3	2	5	6	10	7	4	3	10	4	16	7	4	3	6	3	8	7	5	5	5	14	14	6	13	2	12	8	9	13	10	7	13	9	6	10	4	7	4	10	10	3	10	8	11	10	16	11	11	10	7	15	14	6	10	11	9	16	9	12	14	17	7	7	5	4	7	5	3	13	12	12	5	13	5	6	3	5	0	8	6	13	8	13	7	14	3	3	9	11	10	10	11	10	9	14	5	15	10	8	12	11	7	14	10	8	9	15	13	1	6	12	6	6	7	9	8	8	10	7	8	8	8	10	8	8	8	12	13	12	9	13	10	10	10	9	1	4	5	19	5	7	7	1	4	15	8	9	12	5	6	6	7	1	3	9	8	15	9	10	4	4	4	15	10	8	13	4	5	4	6	11	12	6	12	10	9	8	4	0	5	12	7	5	11	6	5	7	15	15	13	11	6	13	5	7	21	8	7	5	5	9	7	1	2	9	11	6	11	8	6	6	11	14	6	7	9	6	9	7	11	7	13	10	9	4	8	15	6	7	11	11	7	12	4	3	3	0	8	6	6	3	3	8	10	14	11	1	11	3	8	13	9	13	11	6	12	6	7	10	12	9	11	12	10	4	6	7	16	20	20	9	6	18	15	21	20
+Quinoxyfen	7	6	4	5	4	5	4	6	5	3	5	8	5	7	5	6	6	6	6	6	10	11	18	8	11	9	5	10	8	17	7	10	15	4	28	7	21	9	2	21	26	23	23	4	14	12	13	12	13	18	12	20	13	12	19	19	22	21	23	20	31	23	22	19	26	19	20	27	26	28	20	28	14	12	7	10	8	6	5	15	9	11	8	9	11	9	13	14	13	23	9	4	15	8	10	12	14	12	15	20	24	13	17	18	13	23	18	17	18	19	20	16	15	16	17	15	12	21	14	17	7	10	10	14	10	14	19	6	5	5	33	5	3	11	7	9	6	8	14	13	7	11	5	5	8	1	6	2	3	7	3	4	6	7	11	13	3	3	4	2	8	19	14	28	24	27	37	24	27	34	35	19	15	15	15	5	1	8	13	12	12	2	9	8	6	10	8	3	9	11	21	8	14	9	11	3	3	7	12	5	8	5	7	13	21	7	14	20	4	16	24	24	19	8	10	10	14	15	5	8	13	10	11	13	22	23	21	28	22	28	28	30	25	22	26	28	28	32	31	27	11	10	7	14	19	1	6	9	12	8	15	15	9	12	19	4	12	9	5	4	5	3	1	2	10	6	27	13	16	6	7	3	14	8	6	11	3	3	3	4	8	19	5	12	11	5	7	16	3	5	23	16	3	7	2	5	4	19	20	13	11	7	11	3	3	8	43	14	8	8	7	5	2	3	7	12	10	10	10	13	9	13	15	5	20	16	13	10	10	10	4	12	8	8	7	11	20	8	10	15	11	29	10	3	6	9	12	12	7	16	9	8	15	20	19	16	11	9	7	17	28	13	10	16	7	11	6	21	21	22	23	12	22	4	2	2	15	20	18	21	7	6	16	11	23	14
+Triadimefon	5	4	5	4	5	4	5	5	4	4	6	1	3	4	4	4	3	4	4	4	5	5	18	8	14	11	7	12	13	31	6	12	22	3	21	12	32	11	4	11	17	9	18	4	27	22	23	24	22	6	5	12	17	12	12	9	14	10	12	13	14	12	11	10	13	10	11	13	18	14	11	15	14	20	23	15	8	4	12	20	20	18	20	16	21	19	24	26	26	20	15	8	19	19	19	8	13	21	26	31	32	15	21	18	19	8	8	4	6	5	5	10	9	7	7	7	7	25	19	29	17	9	8	16	10	12	14	1	5	2	26	22	4	10	7	21	14	19	9	9	4	8	6	2	5	4	9	4	3	9	4	3	9	8	6	16	20	17	20	8	21	29	24	14	26	18	37	17	19	47	38	16	13	12	13	6	8	10	13	10	11	10	11	13	19	12	5	3	12	14	30	5	26	13	20	6	6	17	18	13	18	13	16	11	32	5	8	32	9	29	23	23	20	17	17	12	20	26	4	17	13	22	12	12	11	12	12	12	12	18	15	16	13	14	14	14	16	23	19	14	25	6	4	19	11	8	5	10	21	12	24	22	11	10	23	1	12	9	8	11	5	4	5	4	14	3	39	19	25	6	7	4	29	6	17	10	2	6	6	0	14	23	5	25	13	10	12	17	7	4	14	14	4	10	15	2	7	28	29	19	19	9	25	6	5	7	14	51	15	8	17	5	1	7	7	18	14	25	11	17	18	25	28	3	22	19	12	19	12	21	12	19	7	8	10	14	32	5	11	9	18	25	22	5	9	14	12	25	27	19	15	16	18	36	35	24	3	20	8	24	36	24	16	28	17	26	13	29	32	41	37	31	40	10	4	4	25	29	37	34	12	3	36	27	44	39
+Trifloxystrobin	7	4	4	7	8	6	6	3	3	4	8	8	5	4	2	6	3	4	5	5	3	2	7	3	6	12	12	13	16	27	9	11	15	9	22	9	37	15	7	7	10	9	20	2	11	12	14	13	15	7	3	6	7	10	7	7	7	6	8	8	9	9	8	9	8	7	6	7	8	7	6	9	19	24	29	22	9	10	10	19	15	13	24	15	26	18	23	25	27	13	14	15	18	16	19	12	11	26	26	23	34	17	24	27	30	4	6	4	6	4	4	8	11	6	6	2	2	5	6	23	11	6	3	13	9	11	14	8	15	10	27	24	10	12	7	24	19	20	15	16	5	24	15	6	17	6	15	2	5	7	6	7	13	13	18	21	20	18	14	8	21	19	19	11	10	17	28	9	13	37	27	8	6	10	7	7	3	5	26	15	16	4	21	17	9	9	8	1	11	9	22	6	24	2	21	7	7	17	14	12	16	12	13	10	18	3	18	19	15	31	9	20	23	17	15	24	17	33	10	9	15	25	5	13	11	7	7	10	9	10	9	10	7	6	12	8	12	18	11	7	31	16	8	6	12	9	3	3	16	13	11	11	17	14	30	4	29	5	4	3	14	4	1	4	10	5	22	15	16	3	1	6	20	16	6	11	2	5	6	9	11	29	14	13	25	14	12	10	1	3	20	12	7	19	25	3	4	31	21	20	29	20	8	3	3	5	8	15	47	11	4	12	1	3	22	31	8	7	20	13	5	12	29	8	21	19	8	14	15	12	11	13	16	18	8	10	24	13	11	13	9	29	12	5	5	9	7	13	11	16	8	12	13	27	36	17	6	12	3	22	24	21	14	24	9	19	15	11	29	32	26	24	36	7	3	5	23	26	40	32	7	5	32	22	37	33
+Zoxamide	4	3	1	2	2	3	1	3	3	4	9	5	3	4	5	5	2	3	3	3	3	4	8	4	4	2	2	8	6	12	3	5	9	6	12	1	17	5	2	4	5	16	7	2	14	8	10	10	9	4	2	6	5	7	5	16	7	7	4	11	5	10	7	6	10	6	7	6	7	8	3	5	4	9	8	6	3	1	3	12	7	4	8	4	5	1	5	7	10	11	4	5	9	4	4	3	3	9	8	9	8	11	11	12	13	6	3	2	7	4	7	5	4	8	5	7	3	7	4	14	4	5	3	9	6	7	6	8	8	8	21	7	2	8	4	6	4	6	5	8	6	6	6	3	5	3	5	1	5	8	2	7	6	6	6	11	9	7	10	2	12	20	11	11	13	10	14	9	10	20	23	9	4	7	8	0	2	6	9	11	11	5	10	4	7	12	5	2	5	8	18	6	9	5	14	2	1	6	9	5	8	5	7	9	14	3	6	9	0	9	17	17	17	8	8	4	10	10	5	8	7	16	7	8	12	16	16	11	6	6	5	5	7	7	8	8	11	14	12	8	12	7	3	9	8	2	3	8	14	7	12	12	6	9	9	1	7	2	5	6	5	3	1	1	6	3	20	15	11	7	4	6	9	7	7	13	1	1	5	3	9	16	5	13	9	3	5	8	4	5	9	3	5	5	4	1	8	8	12	10	5	4	15	3	2	5	8	8	11	27	6	0	0	3	4	6	2	12	7	12	4	9	14	5	11	12	3	8	7	10	8	12	2	1	6	4	12	3	2	7	12	18	10	2	6	10	11	7	8	10	3	4	15	14	15	15	4	8	6	22	16	18	12	16	16	15	12	10	11	18	22	14	19	0	0	0	22	13	9	17	3	2	19	12	27	21
+Secbumeton	5	7	3	9	10	7	7	8	7	10	15	7	5	7	8	8	6	7	8	8	4	4	13	7	8	10	8	21	20	18	10	10	19	10	13	15	32	9	7	8	9	9	22	1	13	12	14	14	13	5	5	6	8	6	10	7	8	4	7	7	10	9	7	6	8	4	5	9	8	9	7	9	6	13	15	10	9	4	9	24	15	13	22	19	15	13	17	19	15	6	11	4	13	11	11	11	11	17	18	16	20	10	13	9	17	8	6	4	3	5	3	5	6	6	5	7	4	10	7	17	6	4	5	16	7	5	6	1	2	1	13	21	8	20	10	8	20	16	19	20	14	19	12	8	16	5	6	2	12	17	6	17	20	14	18	31	22	23	24	9	29	17	13	11	11	6	16	10	12	29	15	7	12	6	6	10	7	5	17	17	12	8	14	9	23	11	6	1	11	17	25	15	24	13	18	9	9	16	20	12	16	13	15	17	20	9	18	23	4	14	15	20	23	15	15	5	20	14	0	11	18	14	7	13	12	11	9	9	7	11	10	10	8	7	6	10	12	14	12	11	12	16	13	11	16	8	8	14	27	13	14	12	6	4	19	4	12	11	7	10	1	6	7	4	8	10	26	16	19	12	6	7	20	15	14	21	6	8	6	3	10	18	1	33	13	4	8	12	3	4	10	12	2	13	3	3	3	17	18	15	3	1	28	5	5	9	7	17	4	6	38	2	4	7	6	9	11	30	9	9	9	19	22	4	9	12	7	14	4	27	17	26	4	3	6	12	26	4	8	8	26	15	29	9	14	7	7	16	20	8	7	11	7	23	28	11	4	11	6	12	21	16	8	18	13	18	5	18	23	29	28	27	30	6	4	2	21	23	29	25	14	7	31	27	35	33
+Fenazaquin	4	0	2	0	1	1	0	0	0	2	3	4	0	0	0	0	0	0	0	0	0	0	2	0	1	4	2	7	15	14	3	8	3	1	10	8	17	12	3	0	4	3	6	0	12	10	11	8	11	1	0	2	2	1	4	2	4	4	5	6	4	4	3	4	5	5	5	5	5	5	4	5	7	14	13	13	4	2	2	5	10	8	5	5	10	6	11	10	10	6	5	6	9	5	6	5	5	10	7	7	16	8	9	10	11	0	2	1	0	0	0	0	1	3	1	0	0	2	3	13	7	1	0	5	3	4	3	4	4	6	8	15	4	6	3	16	15	14	7	8	2	12	7	2	9	2	13	1	2	2	4	4	7	9	8	15	10	11	13	5	11	6	8	4	4	7	12	3	3	18	13	1	5	2	1	6	0	0	5	4	4	1	10	3	4	6	4	0	3	3	9	0	13	0	12	3	3	6	5	4	7	4	5	4	8	1	12	4	10	16	6	6	12	10	9	15	3	18	4	11	7	14	2	1	3	6	6	4	4	3	4	4	6	4	3	5	5	7	4	5	16	8	7	3	6	5	2	1	9	3	6	6	11	3	11	1	12	2	3	1	10	3	0	0	4	4	13	6	9	0	1	1	18	11	1	6	0	3	2	6	10	9	10	5	12	10	8	4	0	4	5	6	2	11	11	2	2	18	13	17	17	16	2	0	2	7	5	5	12	0	2	19	0	1	17	16	6	2	8	6	2	4	14	5	11	10	4	4	12	8	6	8	10	12	3	3	7	11	8	4	5	7	9	1	2	5	1	9	4	5	0	3	8	15	17	4	0	6	3	7	12	10	8	8	4	11	2	9	14	15	14	11	15	5	5	7	5	17	19	17	3	2	17	15	19	18
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+Spiroxamine_isomer2	0	2	0	1	1	3	3	3	3	3	1	0	0	1	1	2	2	2	2	2	1	1	3	2	1	3	2	3	3	4	1	3	7	1	3	2	6	2	1	5	2	3	2	0	4	5	6	7	6	0	1	2	1	1	3	3	3	3	3	3	3	3	3	3	4	3	3	3	2	3	3	3	2	2	11	4	1	0	2	10	4	3	7	8	3	2	4	5	2	1	2	2	5	1	1	1	1	2	2	3	5	2	5	5	7	2	3	0	1	5	3	2	5	3	4	5	5	8	8	8	1	5	5	9	5	2	3	3	4	3	7	4	0	6	4	7	3	5	3	5	1	2	3	0	2	0	2	1	0	4	1	1	3	1	3	6	5	5	4	1	6	9	9	7	7	7	9	7	8	12	8	5	3	6	5	1	1	0	6	1	1	2	3	1	9	4	1	2	3	7	9	1	10	5	5	4	3	5	9	5	7	4	7	5	1	1	3	9	4	4	2	3	6	6	7	5	2	4	0	3	4	6	2	4	5	3	3	3	2	5	3	4	3	3	2	3	4	6	5	3	10	2	2	1	5	5	1	3	4	2	2	2	3	3	8	0	5	3	0	3	5	1	1	0	5	2	11	6	6	1	3	2	11	2	9	5	0	2	2	1	4	4	5	4	2	1	2	2	0	2	2	2	3	5	1	0	1	15	8	3	2	1	9	1	1	2	3	7	3	3	7	1	8	17	4	3	5	11	4	3	1	2	9	2	6	4	1	2	1	3	3	3	3	3	1	5	8	1	3	3	4	5	4	3	4	4	4	2	5	2	3	5	3	4	14	3	2	2	3	8	3	4	4	11	6	9	1	7	13	12	12	11	12	0	4	6	9	14	10	6	3	3	6	6	16	13
+Amitraz	8	3	5	3	4	5	2	2	2	4	12	10	5	3	2	2	2	3	3	3	2	3	10	2	11	12	7	24	24	27	12	16	11	7	16	16	36	18	10	3	9	6	12	1	18	14	13	12	13	3	3	5	5	4	12	5	9	7	9	8	8	7	8	8	8	7	7	9	7	8	6	8	20	24	24	23	9	9	3	15	17	15	16	14	21	12	14	17	25	9	9	6	18	8	10	19	15	17	12	14	33	14	18	19	21	3	2	2	5	5	4	8	8	5	4	2	3	7	6	24	11	8	3	19	10	13	11	8	9	12	18	25	13	25	7	21	28	26	27	23	14	33	23	10	26	10	18	6	14	15	6	17	22	17	21	36	18	17	20	6	19	14	19	8	9	9	22	6	7	31	16	5	3	6	4	12	3	3	19	16	15	4	26	18	9	10	10	0	6	11	24	12	20	5	19	5	5	12	14	8	13	11	10	10	14	6	31	24	20	32	11	13	29	14	17	27	14	34	8	18	20	20	11	5	9	8	8	8	6	8	9	10	10	7	7	9	11	15	11	9	27	24	20	15	11	7	2	2	18	11	9	9	13	5	21	8	29	10	6	5	18	11	1	5	11	10	23	12	18	2	5	4	32	24	6	15	2	10	14	13	14	24	19	16	24	20	3	7	0	10	17	15	7	19	21	6	10	34	24	29	24	25	7	5	7	9	7	7	22	4	6	17	1	4	42	31	11	7	21	14	9	19	32	11	29	25	4	8	25	17	10	18	24	24	12	10	24	19	11	19	11	9	16	1	3	2	2	7	7	8	4	7	18	32	38	14	3	18	10	12	26	16	10	13	8	16	3	10	20	24	27	18	24	9	7	9	18	35	41	35	10	9	35	27	42	41
+Tebufenpyrad	11	4	8	7	8	8	4	6	6	10	12	10	5	4	5	5	3	4	4	4	8	8	15	9	9	12	11	25	28	33	14	23	15	6	28	16	46	28	9	10	12	11	20	3	20	17	18	16	18	10	6	11	14	11	15	10	17	14	19	14	15	15	14	14	18	15	14	14	17	16	12	15	17	24	33	27	9	6	10	17	19	18	19	16	27	21	23	22	29	16	10	13	25	11	15	16	13	20	18	22	37	19	22	25	23	8	10	9	10	11	9	16	14	9	10	10	9	16	12	30	18	12	9	21	12	12	14	11	12	12	26	30	13	21	5	25	31	26	26	24	11	33	22	12	23	9	20	6	12	13	8	16	21	19	19	33	29	27	27	9	27	15	20	14	13	17	32	12	16	43	28	15	5	12	10	13	3	12	35	27	26	4	38	31	17	14	14	0	13	15	31	10	30	10	24	8	8	17	18	13	20	13	14	13	26	9	30	26	20	34	11	18	39	26	16	29	23	35	7	14	27	20	13	10	12	12	12	16	15	15	16	15	18	16	15	19	21	30	18	18	35	21	16	11	15	8	2	3	18	15	11	11	16	14	31	8	32	14	10	10	18	11	5	4	12	10	27	24	21	4	7	6	27	23	10	11	4	11	9	11	17	29	19	23	28	20	10	17	0	9	22	21	8	17	24	6	8	33	21	28	37	28	10	4	10	11	12	18	31	6	9	16	4	3	31	68	9	12	23	20	10	12	36	14	27	24	11	14	21	19	13	22	32	27	9	12	33	24	18	15	17	27	20	4	3	9	5	12	11	14	5	8	15	31	46	29	4	16	7	16	31	16	13	20	10	15	13	15	25	29	28	28	28	15	8	10	24	35	48	38	14	8	40	28	52	45
+Fludioxonil	4	4	4	8	9	13	9	7	6	7	5	4	4	6	5	5	3	4	4	4	3	3	9	4	7	8	11	8	8	14	9	8	10	3	15	12	22	10	4	5	12	10	10	0	11	11	10	9	10	6	5	10	9	9	5	9	12	11	11	11	11	12	11	12	12	12	11	12	13	12	10	10	8	12	9	10	6	3	8	16	12	12	10	12	12	9	13	14	16	13	10	5	12	11	10	9	6	13	14	15	20	7	12	14	10	8	8	9	6	6	4	6	9	10	8	6	7	19	16	16	8	7	7	8	6	4	6	2	4	3	15	10	9	7	9	14	5	8	7	11	6	7	9	6	8	5	10	4	4	5	4	4	4	3	10	8	9	9	10	4	15	16	7	10	13	13	18	14	15	18	21	9	8	9	9	8	4	10	13	13	13	3	9	10	11	8	8	1	11	13	20	8	18	4	13	5	4	14	13	12	12	13	13	11	13	7	6	13	6	15	11	14	7	12	8	12	15	17	3	6	7	13	5	15	11	11	11	14	12	12	10	10	12	10	8	12	14	17	16	12	10	5	3	7	9	2	4	5	13	5	8	9	5	7	14	5	6	7	5	3	5	5	0	2	11	3	15	8	17	2	4	3	19	4	9	8	3	3	3	4	7	9	5	13	8	8	11	4	4	4	9	6	5	10	7	6	6	18	19	15	11	3	14	4	7	6	10	14	8	2	11	6	4	5	11	9	24	11	6	10	10	8	13	8	9	7	6	7	6	11	9	15	6	5	7	10	17	3	6	7	11	16	13	1	4	2	2	14	11	6	7	7	9	18	16	10	2	11	3	16	18	11	16	7	4	12	5	14	16	19	18	15	17	10	4	3	11	16	21	16	11	2	19	11	15	10
+Terbumeton	5	7	5	5	6	6	8	4	3	9	18	7	2	5	6	7	5	6	7	7	5	6	16	8	8	12	11	22	24	22	10	12	24	9	17	11	32	11	7	11	7	12	23	1	17	14	15	16	15	5	6	9	10	8	13	8	9	6	8	9	10	10	9	8	10	5	8	10	9	10	8	9	12	17	25	14	13	5	11	28	21	16	25	22	19	14	20	23	17	8	14	6	12	14	14	13	13	23	22	20	24	13	18	14	22	10	8	5	3	6	4	7	6	7	7	11	8	13	9	27	6	6	7	24	15	8	8	3	6	3	20	24	5	22	10	13	21	20	21	24	12	24	13	6	15	7	8	3	12	19	6	16	25	17	14	36	27	26	27	10	30	26	21	16	18	12	25	14	17	40	26	12	11	11	10	14	9	6	15	13	8	9	16	13	23	11	7	3	14	14	28	11	25	14	18	10	8	17	26	13	21	14	18	17	24	9	20	28	3	20	16	25	30	19	17	8	24	14	1	12	25	13	6	16	15	14	11	11	9	13	10	11	10	10	7	10	15	16	17	11	16	17	14	15	18	10	9	17	29	17	17	16	10	9	25	5	13	14	8	15	2	6	6	5	11	9	33	20	22	14	9	10	26	18	20	21	6	9	4	3	14	23	2	35	13	5	11	16	5	6	11	15	4	13	3	4	4	26	25	16	7	4	34	9	5	11	10	25	7	12	30	2	5	11	7	12	11	49	13	10	13	24	29	5	13	12	7	19	5	26	20	29	6	4	8	11	26	5	8	9	28	22	33	12	19	9	10	20	24	14	9	18	12	25	34	19	4	13	11	20	24	21	11	29	19	27	9	24	31	41	35	35	41	5	6	6	28	30	32	30	15	10	35	34	46	44
+Rotenone	4	6	7	8	10	11	6	4	2	6	12	5	5	7	5	6	6	7	7	7	8	6	20	8	10	21	10	26	21	29	9	21	26	9	23	10	38	12	8	14	14	15	23	1	11	12	11	9	13	3	4	12	13	13	17	11	13	10	14	12	15	15	15	12	14	9	11	11	12	12	7	12	31	27	25	27	18	17	11	25	26	24	27	22	29	21	19	29	40	14	19	14	22	15	17	27	23	29	24	36	51	24	31	33	35	5	6	5	5	12	7	6	14	9	8	4	5	12	9	37	15	12	7	23	23	17	19	13	15	16	29	16	10	24	7	14	18	20	30	24	17	26	16	10	16	8	16	4	14	20	3	16	24	26	17	36	11	10	11	5	12	21	28	14	15	18	36	13	15	43	36	17	7	15	12	13	2	8	23	18	20	5	21	22	8	8	11	1	13	11	39	10	13	8	17	8	6	15	11	8	12	11	12	6	16	6	26	32	11	25	16	17	25	11	17	15	23	32	8	4	17	10	23	13	16	15	13	17	14	13	13	13	16	12	11	12	15	23	22	11	27	21	14	12	16	3	6	6	28	8	14	13	9	14	30	8	30	10	9	4	16	10	3	4	5	11	30	13	13	9	7	4	16	19	7	16	3	10	14	12	11	32	16	17	24	14	13	11	2	8	22	17	3	11	10	5	4	34	14	22	19	21	17	5	5	8	10	11	20	7	9	8	2	4	21	23	6	13	75	16	14	21	31	7	33	19	12	22	16	12	7	14	27	25	10	19	42	15	10	13	13	28	15	6	11	11	8	10	8	15	13	20	9	31	30	22	7	8	10	16	30	14	7	27	7	12	9	16	31	34	22	32	35	8	7	10	24	26	37	30	9	11	29	20	49	44
+Enilconazole	6	2	1	6	7	6	4	7	5	10	11	6	8	3	4	4	2	3	3	3	5	4	18	3	10	14	4	18	13	21	7	14	18	6	26	8	31	5	1	15	19	17	14	0	31	25	27	26	27	8	4	16	20	16	12	12	18	11	16	20	19	17	15	11	19	11	12	16	17	19	8	16	21	21	20	15	8	7	8	22	15	15	19	15	16	9	15	20	23	23	14	11	24	14	15	17	22	22	23	23	30	23	26	14	19	15	11	8	9	9	10	9	9	15	12	5	4	16	7	17	9	4	2	14	8	16	17	6	10	5	32	14	5	14	5	17	10	14	14	15	10	12	10	6	10	10	18	4	6	11	4	8	12	12	11	19	8	7	7	4	10	29	30	23	28	30	46	26	29	54	46	17	13	19	13	8	5	16	17	14	13	2	23	11	10	18	18	1	11	18	35	17	18	8	19	8	7	14	14	10	13	11	12	13	28	3	16	31	13	23	27	30	27	16	16	20	32	31	5	17	17	27	11	9	16	17	16	21	15	18	17	17	19	15	15	17	25	34	28	16	14	13	13	21	10	5	4	5	20	10	12	11	14	12	15	8	17	10	12	4	10	3	5	3	13	6	36	13	20	5	6	4	27	13	7	12	1	6	15	9	18	32	10	16	13	11	8	11	0	5	22	19	5	11	10	2	2	31	36	17	18	13	11	6	4	6	13	17	13	12	9	6	1	3	14	20	10	10	16	57	16	19	29	8	26	13	15	15	16	13	7	13	13	9	10	17	28	8	11	13	14	33	13	4	6	22	21	24	14	30	22	14	22	33	29	26	5	19	5	34	30	15	28	31	18	16	20	15	33	38	45	34	32	9	2	3	36	18	38	18	8	6	20	11	34	28
+Acibenzolar-S-methyl	6	2	5	4	5	8	5	3	3	5	7	1	6	2	1	4	1	1	2	2	6	6	20	4	8	12	11	19	13	15	11	16	14	8	14	9	20	5	4	10	15	9	10	8	22	15	15	15	16	11	9	9	6	9	9	6	13	10	12	14	13	9	10	8	14	10	10	12	15	12	9	13	14	15	14	15	14	11	5	18	16	16	19	19	18	13	16	18	19	18	13	5	14	10	12	14	15	15	16	18	27	10	16	11	18	9	11	9	7	4	6	7	8	3	4	13	12	20	11	20	11	13	12	13	12	16	16	14	11	12	28	13	7	20	6	11	8	9	16	17	14	13	11	8	8	7	9	3	11	16	3	13	15	12	9	17	9	7	6	2	7	26	17	15	25	16	25	12	14	32	30	10	5	10	8	10	4	9	12	12	12	5	13	9	11	9	10	1	9	9	20	8	11	13	11	5	4	13	12	11	13	10	12	6	15	3	18	19	8	14	21	16	16	10	10	10	23	16	3	7	12	8	16	10	7	9	8	12	10	12	14	16	13	11	13	13	23	25	23	13	8	11	11	17	10	2	5	5	18	6	10	11	7	7	15	10	14	18	11	6	3	6	5	4	5	7	25	13	13	7	5	3	15	11	7	11	3	6	16	10	9	20	3	17	6	6	8	7	4	6	16	9	3	6	4	3	2	14	23	13	9	8	15	4	7	6	9	18	5	4	9	2	0	1	9	10	10	13	14	16	35	16	14	4	18	8	7	16	13	9	11	16	13	12	10	11	25	7	4	12	11	14	14	2	4	6	8	15	12	10	10	15	8	22	16	17	4	16	9	19	27	12	13	17	10	13	8	14	21	25	15	20	25	10	3	3	17	8	10	16	9	7	16	11	21	20
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+Pyridaben	6	2	2	2	3	4	2	2	2	5	5	6	5	3	2	2	2	2	2	2	1	2	9	2	5	8	5	13	16	17	7	10	7	4	13	9	22	15	6	2	5	3	6	1	5	4	3	4	4	2	2	4	2	2	7	2	6	5	6	4	6	5	5	5	5	5	5	7	5	6	5	6	12	17	16	12	13	11	3	7	11	8	9	6	16	10	10	11	14	7	4	6	11	8	9	10	8	14	12	13	22	12	10	12	14	2	2	2	4	3	3	4	3	5	3	2	2	4	4	15	8	5	2	8	6	6	6	3	6	5	10	15	10	14	4	13	21	18	14	12	6	18	15	4	16	5	10	2	5	5	7	10	13	13	12	21	11	10	11	6	9	4	9	5	7	2	10	4	5	18	8	4	4	3	3	7	0	0	10	7	7	0	15	12	2	4	5	0	6	7	15	8	12	3	15	6	6	8	8	6	9	7	7	8	7	3	19	15	12	18	3	12	15	11	8	16	8	21	3	3	14	9	7	3	2	4	4	5	5	6	6	6	7	5	7	6	3	6	5	6	15	13	12	4	5	4	1	3	9	6	7	7	7	8	13	3	18	7	4	2	10	5	2	3	6	5	10	10	14	1	3	2	10	15	2	3	1	6	6	8	10	13	10	7	14	12	4	7	0	6	10	9	2	11	12	2	5	20	7	17	15	15	2	2	3	6	8	5	13	3	4	11	0	1	19	24	3	5	15	8	7	9	21	7	14	12	7	4	12	4	3	8	15	15	6	6	12	26	9	9	5	17	8	1	2	8	5	5	5	4	2	4	1	12	22	10	0	4	0	3	16	9	4	15	4	8	2	4	13	15	13	9	14	6	6	9	11	12	19	17	7	5	19	17	23	22
+Thiabendazole	6	6	9	9	10	8	5	6	5	8	8	10	8	8	7	7	6	7	7	8	4	5	10	6	5	5	6	13	12	13	8	10	15	8	15	12	19	10	4	10	12	12	15	2	8	8	7	8	7	10	7	10	7	11	8	10	12	10	12	11	15	12	13	11	13	10	12	13	13	14	12	13	6	8	9	9	4	2	2	5	8	7	5	2	12	8	8	6	12	10	1	4	8	5	6	7	4	9	6	12	14	6	8	10	8	12	15	12	10	12	12	12	10	7	10	7	6	13	9	15	11	7	6	11	4	4	5	3	3	3	14	12	10	16	8	17	14	14	17	15	9	17	15	9	14	6	11	3	10	12	8	7	7	10	13	20	13	12	13	7	12	13	10	12	14	12	17	11	14	18	20	14	3	9	12	4	2	3	9	8	8	0	10	7	3	4	6	0	11	13	20	10	16	13	15	6	7	11	14	11	11	11	12	9	17	7	16	16	12	21	11	13	19	13	9	16	9	23	1	4	14	13	7	7	9	10	10	14	12	13	15	15	14	12	14	16	14	17	16	16	15	14	10	10	9	1	3	9	17	10	5	5	6	8	17	5	10	15	8	5	9	7	1	1	4	6	20	15	15	5	3	4	10	10	6	6	5	7	4	5	7	18	9	14	13	14	7	8	0	6	12	8	5	10	10	4	7	20	12	15	12	9	8	3	7	7	10	11	11	2	8	8	1	3	11	18	6	8	10	11	4	7	17	10	12	13	9	4	7	11	4	11	11	11	6	5	15	9	26	19	12	16	9	3	2	7	7	8	6	11	6	6	7	9	24	12	2	9	2	13	18	8	7	14	8	6	4	10	12	16	15	11	18	11	5	5	6	10	22	20	8	2	20	15	22	20
+Tricyclazole	8	5	9	10	10	7	6	6	5	6	11	6	9	7	7	7	7	7	7	8	8	7	17	7	8	13	8	23	15	13	13	17	19	12	19	13	30	9	6	11	17	13	16	3	14	11	12	12	10	14	9	8	8	9	14	8	15	10	14	19	19	11	11	10	17	9	11	15	19	16	12	19	15	16	14	12	11	9	3	11	12	13	12	11	16	11	12	12	16	21	7	5	12	7	8	15	13	13	10	17	24	11	14	18	19	11	12	9	10	11	10	13	11	8	10	11	8	13	9	21	13	8	6	16	10	8	7	13	12	13	22	20	12	22	6	15	14	14	20	18	16	22	16	10	15	9	14	5	14	14	8	14	16	14	16	26	9	7	8	3	8	21	17	21	21	15	24	15	18	29	27	11	7	10	8	6	2	6	16	11	12	2	16	12	4	11	5	1	12	11	28	18	17	12	16	6	7	13	16	11	14	13	13	9	18	7	21	21	18	21	19	17	22	15	16	18	18	27	2	5	12	7	9	10	12	12	11	17	12	17	19	20	18	14	21	17	22	25	22	17	13	19	16	17	19	4	9	6	25	11	10	9	6	5	22	9	23	21	10	6	8	9	4	4	10	12	28	12	17	8	5	6	9	16	8	13	1	9	12	8	7	25	8	13	10	10	1	8	2	8	17	11	4	14	10	5	8	21	17	23	14	15	12	3	6	11	15	9	13	7	8	4	1	3	19	15	7	9	13	13	12	16	21	8	24	19	13	14	18	9	8	10	15	13	13	11	21	9	19	38	13	19	8	3	1	6	7	10	9	14	3	6	12	20	24	14	6	13	4	19	22	12	12	17	9	10	7	10	20	23	21	17	23	12	3	3	17	11	18	23	7	7	20	16	29	25
+Simetryn	10	7	8	14	15	11	8	8	8	15	18	11	7	9	11	12	7	8	8	8	7	8	15	10	9	9	14	22	25	21	13	16	24	14	18	15	37	12	5	13	12	20	28	3	14	10	10	10	10	8	9	18	16	19	17	18	20	16	16	21	17	22	20	18	21	16	16	15	19	18	13	13	9	13	22	18	10	4	7	20	18	19	22	17	18	11	16	17	26	17	9	7	13	9	10	13	12	16	17	19	24	17	16	15	21	20	19	16	11	13	11	13	12	17	16	15	9	16	13	29	11	8	7	22	8	15	14	6	9	5	26	20	10	25	7	18	21	19	22	23	16	25	16	9	18	7	11	2	16	19	8	16	19	16	18	31	25	23	25	13	33	28	16	22	24	20	32	19	21	36	32	21	13	16	22	8	7	11	20	17	14	8	22	12	15	15	14	3	17	18	35	12	24	17	24	9	9	14	20	11	18	15	14	17	25	12	24	27	12	18	18	23	26	20	12	16	26	25	1	15	20	21	13	16	20	21	19	21	22	18	17	16	20	19	14	19	28	31	26	20	16	19	16	19	22	9	7	12	29	10	19	17	6	13	37	9	15	14	12	11	5	11	6	2	10	10	27	28	21	14	5	8	28	23	13	20	7	7	9	9	11	29	5	37	18	9	14	21	2	10	17	15	4	16	7	6	6	26	26	15	14	7	28	6	6	11	11	18	9	12	26	5	1	4	11	17	11	28	13	14	11	28	24	11	15	19	11	20	7	29	16	37	11	9	6	16	35	5	12	13	50	24	33	9	13	10	10	14	16	14	12	14	22	27	39	24	4	18	12	24	29	19	19	16	15	20	12	15	22	29	27	33	30	8	2	3	24	28	41	34	15	5	34	33	46	44
+Sulfentrazone	7	9	6	11	12	14	11	11	10	14	20	15	10	8	9	9	7	8	9	9	10	11	28	12	20	22	15	19	11	37	12	27	25	16	44	13	34	23	4	25	42	39	39	12	39	33	37	34	34	22	18	34	27	31	29	31	47	37	43	45	47	42	39	35	50	35	37	46	47	48	35	42	22	26	26	19	15	10	12	29	23	16	27	17	25	21	34	31	38	43	20	18	32	21	22	15	20	40	33	43	53	25	34	35	38	31	32	29	24	19	22	27	19	29	32	34	25	44	27	37	20	20	18	36	14	40	37	15	25	15	69	14	7	16	10	24	13	14	16	20	13	12	12	9	11	9	19	3	5	10	6	9	10	7	11	17	10	11	10	8	16	68	44	50	63	55	83	48	52	82	81	35	17	29	34	8	5	28	33	29	30	6	30	23	12	18	21	5	23	22	42	16	25	17	23	9	9	16	19	12	20	14	17	17	47	8	17	41	10	21	51	42	38	24	17	17	36	27	10	20	27	36	27	24	28	38	34	46	41	48	49	48	45	39	41	48	46	54	52	46	17	12	7	32	30	7	14	19	29	17	26	25	16	33	28	8	27	10	9	10	10	8	4	5	16	3	66	27	26	9	10	7	34	14	8	17	6	5	11	7	19	54	12	29	29	7	14	34	7	9	37	35	11	22	10	5	3	34	38	18	36	9	18	7	5	7	29	25	29	18	15	7	0	5	9	27	16	22	28	33	14	21	37	10	29	20	31	29	18	19	11	17	10	9	12	31	56	17	16	19	24	115	20	7	7	30	30	18	23	34	25	15	35	43	53	53	12	23	18	47	58	28	33	43	28	30	19	32	37	48	63	36	54	9	4	4	57	30	42	22	12	2	28	17	36	27
+Terbutryn	8	8	7	9	9	8	8	7	7	15	24	11	4	10	10	10	7	7	7	8	6	5	15	7	11	11	13	29	23	19	12	15	24	11	16	18	39	16	7	12	15	18	26	3	21	15	16	17	16	7	5	11	13	12	12	15	18	15	15	17	16	19	18	18	18	13	16	16	17	17	13	14	11	14	24	18	8	3	8	26	20	20	20	18	25	19	20	24	24	9	16	7	11	12	15	12	11	19	25	23	35	22	24	19	25	13	10	6	5	6	6	8	6	9	8	6	4	12	8	26	6	4	2	16	9	13	15	5	5	5	25	25	9	21	7	16	21	19	25	24	13	26	18	8	20	5	12	3	14	18	7	15	22	19	18	33	31	31	31	12	35	30	22	12	19	14	25	14	16	37	28	12	14	9	12	11	6	9	19	13	11	12	19	13	18	12	7	3	16	16	28	12	24	16	23	8	8	19	26	16	21	16	19	20	22	10	24	24	10	20	18	19	29	22	14	10	24	24	1	18	28	19	8	14	17	20	17	20	18	16	16	15	18	16	9	18	21	25	21	18	21	22	18	19	24	9	9	14	28	13	18	18	8	15	30	6	12	11	10	10	5	10	6	2	14	10	28	21	21	14	5	7	29	19	12	18	7	11	6	6	13	23	5	42	24	6	14	15	3	8	15	13	3	15	4	4	7	28	26	19	11	6	29	4	8	12	10	22	12	10	29	9	1	4	16	20	13	33	15	13	14	24	28	9	11	16	9	20	5	33	22	36	9	7	8	15	31	8	9	8	33	20	49	11	14	11	9	17	17	14	8	8	18	19	36	21	2	14	10	20	26	20	21	25	14	21	14	23	28	34	34	27	32	9	5	7	25	34	45	36	15	8	36	33	44	45
+Bitertanol_isomer1	0	3	1	4	4	4	4	2	1	5	2	1	0	4	3	3	2	3	3	3	0	0	4	3	2	8	5	2	7	5	4	1	9	5	7	5	12	3	2	5	0	3	9	0	8	9	9	9	9	0	0	1	7	3	4	3	0	0	1	2	0	2	1	1	0	0	0	0	0	0	0	0	6	5	11	9	5	0	6	10	8	8	11	8	10	9	11	9	7	5	8	2	4	7	7	2	4	8	10	5	11	8	8	3	10	0	1	0	1	3	2	1	3	1	2	1	1	2	1	7	1	1	1	3	3	5	3	0	2	1	7	8	0	3	0	6	8	7	1	2	1	6	1	0	1	3	1	0	2	3	0	1	9	4	1	10	10	9	9	5	10	7	9	6	5	3	9	2	2	13	10	2	9	3	2	5	1	2	8	6	5	8	5	1	5	1	3	1	11	3	10	1	5	5	6	4	4	8	8	7	9	7	8	2	9	3	1	5	2	5	3	11	7	5	4	1	7	4	0	3	3	6	1	5	6	5	4	2	2	1	0	0	0	0	0	1	4	5	5	0	7	8	5	6	6	1	5	2	10	2	5	5	3	3	7	4	2	1	7	4	1	0	1	2	3	1	6	4	6	4	1	7	12	9	9	6	2	4	1	3	7	8	1	13	3	1	5	7	0	4	9	4	1	4	1	0	0	9	9	7	1	1	10	0	0	4	3	5	5	2	9	1	2	3	1	4	1	12	6	4	2	6	6	2	1	3	2	8	1	9	8	10	3	2	4	5	9	1	3	3	9	7	11	14	14	4	3	7	8	9	2	2	6	9	10	7	1	5	3	8	11	11	4	7	5	8	6	11	13	12	11	11	12	0	1	2	10	11	13	12	7	6	11	12	14	13
+Bitertanol_isomer2	1	1	1	4	4	4	5	0	0	4	1	1	2	2	1	1	1	1	1	1	0	0	3	2	3	10	7	5	6	13	3	10	11	4	13	5	19	1	0	7	15	7	20	6	3	3	3	3	6	5	6	7	4	15	7	7	11	8	9	17	15	7	7	6	12	8	9	12	12	12	9	13	12	12	17	15	7	4	9	16	18	15	16	13	13	12	12	16	12	11	11	3	10	10	10	11	9	14	17	10	18	15	14	10	15	6	7	2	5	3	5	1	5	5	8	9	7	13	7	19	10	8	7	18	10	6	5	5	6	3	13	9	1	8	1	12	6	7	3	7	2	5	2	4	2	3	2	0	4	9	0	5	3	2	3	7	10	11	11	5	13	15	10	12	21	15	22	15	14	14	17	12	11	12	16	5	3	4	11	5	5	7	4	3	9	2	3	2	10	2	14	3	5	7	12	5	4	10	14	9	14	9	11	2	4	5	3	8	2	6	8	9	10	5	7	3	10	7	5	2	5	7	8	5	8	10	8	8	5	12	14	15	12	10	10	12	9	15	9	12	6	2	3	5	7	1	3	4	11	4	5	5	8	4	13	4	6	3	7	6	8	0	3	3	1	1	17	9	7	3	2	3	15	2	5	8	2	2	3	2	11	15	8	17	4	0	9	10	1	1	8	8	0	3	2	0	1	14	11	7	3	2	14	2	1	3	6	9	5	6	14	2	0	4	3	3	4	19	11	6	4	10	11	2	6	5	7	15	2	11	11	12	3	3	2	9	18	2	2	1	13	7	14	14	28	1	4	10	10	12	5	10	4	12	9	12	7	7	5	11	14	12	3	14	6	12	8	16	21	20	13	18	21	3	0	2	12	16	15	14	7	1	16	13	22	18
+Bromuconazole_isomer1	1	3	0	3	4	3	1	4	3	5	12	3	5	3	3	2	2	3	3	3	3	1	9	3	6	4	0	13	7	16	5	6	7	5	14	3	17	5	0	5	12	10	11	2	22	19	18	18	19	5	2	8	14	13	6	7	17	9	14	17	14	18	16	16	17	9	10	14	15	15	11	15	7	16	14	5	5	4	5	14	8	7	13	3	9	6	6	5	9	18	8	9	17	7	8	7	13	13	12	14	13	14	16	10	16	13	18	11	4	0	1	2	2	12	16	3	3	7	2	13	6	1	0	8	5	12	13	5	5	6	22	11	0	9	8	6	9	9	9	7	9	9	6	2	6	2	5	0	4	7	1	6	9	9	5	14	7	6	9	7	8	27	15	10	18	16	29	11	11	33	25	13	4	12	14	3	2	13	11	7	6	4	12	8	3	11	11	1	5	9	17	6	11	3	6	2	1	6	5	4	6	5	5	6	25	2	10	22	3	18	19	17	15	11	9	5	17	15	4	8	14	16	11	3	8	10	9	18	17	15	13	15	17	14	15	18	12	18	15	17	19	7	4	17	8	3	5	12	13	4	8	8	9	10	9	2	7	5	3	1	4	1	3	1	7	2	23	10	10	8	2	2	8	8	4	4	2	2	5	4	13	16	4	12	15	6	8	4	0	2	12	8	4	8	11	0	3	18	15	6	10	8	9	0	1	3	9	14	9	10	7	5	2	4	2	9	2	9	11	22	6	14	10	4	17	14	18	15	10	13	10	7	8	8	4	9	16	8	7	6	10	30	11	4	1	38	33	10	14	13	9	7	15	16	18	15	5	10	10	30	13	14	19	24	25	21	14	12	19	25	24	19	26	2	2	3	23	9	25	20	5	3	19	14	31	26
+Bromuconazole_isomer2	0	4	0	4	5	4	2	4	3	4	11	7	5	4	4	3	3	4	4	4	3	1	9	3	5	4	2	13	4	12	4	6	11	4	14	2	15	1	0	7	18	12	13	4	17	17	16	16	17	8	5	10	13	14	7	10	17	10	15	19	18	20	18	17	19	12	12	15	17	17	12	19	7	12	11	5	9	5	3	13	12	8	8	4	5	3	2	3	10	18	7	7	15	5	5	11	13	14	11	12	13	12	15	13	14	16	22	14	7	5	2	5	4	12	20	5	5	9	5	14	5	4	3	10	8	12	14	9	8	6	26	9	1	11	9	6	4	4	10	9	10	9	6	3	5	4	6	0	5	10	0	6	5	6	8	9	1	2	3	4	5	30	16	16	23	21	30	17	18	36	26	15	6	18	19	2	1	14	6	6	5	1	10	6	4	11	9	2	5	9	20	7	15	7	8	2	1	5	7	3	7	4	6	8	21	1	11	22	2	15	18	15	17	10	10	3	19	12	3	5	16	15	12	5	13	13	12	22	18	20	17	19	16	13	15	18	19	25	22	16	11	9	5	16	9	3	5	14	11	6	8	8	12	11	7	2	7	7	3	3	5	1	3	2	6	2	29	14	12	10	5	2	6	8	5	5	2	1	6	3	12	17	5	12	12	2	7	4	0	2	9	8	4	5	7	0	2	20	15	5	7	6	12	1	1	0	12	12	7	11	7	1	2	4	2	5	2	10	8	21	8	14	12	4	18	16	22	16	9	12	10	8	4	4	6	12	17	5	7	7	10	30	9	3	4	33	41	9	13	15	10	11	16	16	18	16	4	9	12	33	14	16	19	27	25	21	13	14	22	24	29	20	23	1	0	1	25	6	16	14	3	0	14	7	27	18
+Cyproconazole_isomer1	5	6	3	4	6	7	5	2	1	7	2	1	3	8	6	6	7	7	8	8	5	3	12	7	9	14	8	10	11	21	7	14	18	4	11	11	33	11	5	4	12	9	14	2	29	23	25	24	23	6	4	7	7	4	7	7	8	6	7	9	8	11	9	10	9	5	7	8	9	8	6	7	11	17	21	17	9	4	10	25	17	19	22	19	19	14	27	25	22	10	16	7	18	16	15	9	14	22	25	22	22	13	20	11	17	4	5	2	1	0	1	2	5	7	7	5	7	16	12	23	11	6	6	6	6	9	11	2	3	5	20	19	5	11	5	17	9	17	9	9	6	7	10	6	7	5	13	3	5	13	4	9	6	5	7	13	14	9	12	6	14	22	17	7	14	6	23	8	12	33	25	10	11	8	5	5	7	7	12	12	12	6	7	11	15	12	10	4	9	11	25	10	17	12	14	8	8	19	19	16	21	18	18	11	19	5	10	14	4	23	11	18	19	14	9	10	17	23	3	12	14	15	10	12	13	13	10	11	10	10	8	8	8	6	9	8	15	16	13	8	17	6	2	13	9	5	5	9	19	13	13	13	9	6	17	3	10	9	8	6	5	5	3	5	13	6	28	8	19	5	1	4	20	5	11	11	4	7	4	4	11	25	5	19	11	8	12	8	4	2	4	13	4	10	11	5	7	19	30	15	13	9	23	5	3	8	12	25	13	7	16	9	1	2	7	12	14	20	10	24	15	22	16	5	15	13	5	20	10	16	12	20	5	5	10	10	23	5	8	10	14	18	17	7	10	10	9	39	35	15	11	15	19	29	20	18	1	15	8	24	19	23	15	21	10	24	9	21	28	33	26	31	33	9	5	6	26	20	32	32	11	3	27	17	32	26
+Cyproconazole_isomer2	4	7	1	4	6	7	6	3	2	6	6	1	0	9	8	10	8	8	9	9	6	6	17	8	3	13	7	13	14	24	8	13	19	2	17	13	24	11	4	8	12	9	13	4	17	14	13	13	14	6	4	9	10	6	11	7	8	6	9	9	9	13	11	12	9	5	7	10	10	10	7	8	14	17	20	17	12	7	11	25	17	17	20	16	17	13	25	23	17	16	14	9	17	19	18	15	13	20	20	20	22	14	17	10	13	8	8	4	2	4	4	7	8	7	8	5	7	17	11	18	10	8	7	7	7	8	9	1	6	2	18	18	5	13	6	16	12	17	8	10	8	9	8	6	6	4	8	3	9	14	3	9	9	7	9	16	19	16	18	7	18	28	12	11	22	13	27	9	12	34	26	11	11	8	8	4	7	8	13	11	13	6	8	9	17	9	7	4	10	12	25	4	20	10	14	9	9	18	19	14	19	18	17	9	26	3	10	22	3	16	16	19	12	11	14	7	25	8	4	12	10	14	11	12	16	12	9	13	12	12	10	10	8	6	10	9	12	12	13	9	20	11	8	16	9	8	7	15	19	14	11	11	13	11	16	3	10	10	11	5	4	6	4	5	13	5	31	16	21	8	2	7	20	12	11	13	3	4	4	4	13	24	4	21	12	5	13	12	7	4	13	13	2	17	11	5	5	15	24	13	11	5	24	4	3	6	7	27	11	8	20	4	1	5	7	11	11	24	8	14	12	14	16	7	15	9	9	21	6	17	13	18	4	4	5	10	21	5	6	9	16	23	17	8	10	14	13	35	36	23	10	14	9	25	31	21	1	12	7	19	22	18	10	23	11	22	9	21	26	33	26	26	34	7	5	6	23	16	25	19	9	5	21	21	32	30
+Diclobutrazol	2	5	0	6	8	6	5	7	7	7	10	6	1	4	5	4	5	6	6	6	10	10	18	11	12	11	7	17	10	24	7	16	18	8	26	7	25	7	3	16	18	19	27	5	20	17	18	18	20	10	4	17	21	26	18	14	18	15	17	28	20	18	16	13	21	13	15	20	22	22	13	16	20	25	16	15	6	6	13	18	26	25	16	15	24	13	22	25	22	23	15	8	18	17	17	20	17	24	18	19	31	19	25	21	20	15	16	12	14	7	10	11	14	14	14	17	11	20	12	28	20	9	8	21	11	17	18	9	10	6	39	10	8	9	5	18	10	11	14	11	7	15	10	1	9	8	11	1	5	5	4	3	8	7	12	10	11	9	7	5	14	31	18	22	41	31	44	24	27	47	49	19	14	26	25	6	5	17	18	14	13	5	23	13	13	13	12	3	7	13	39	10	19	11	17	5	4	11	13	9	15	9	10	7	25	4	15	25	6	20	27	20	22	13	12	13	25	19	7	11	9	23	5	9	14	19	16	18	16	16	19	20	22	16	23	22	20	28	18	19	12	10	7	19	19	7	5	13	20	14	18	17	13	16	19	4	24	12	8	5	13	5	5	4	7	6	36	15	18	9	3	8	18	14	7	12	2	6	6	6	13	36	13	18	13	7	21	20	4	5	15	13	3	12	10	3	1	27	29	16	17	13	11	1	1	6	16	19	16	10	8	5	0	2	8	14	6	14	15	30	10	25	18	4	23	10	22	20	9	12	7	15	12	10	9	16	31	4	11	14	14	34	14	9	12	13	15	15	23	64	14	13	32	30	24	23	10	17	7	29	30	28	29	26	16	27	25	21	24	38	38	34	43	6	2	5	30	18	34	20	10	2	20	13	28	21
+Difenoconazole_isomer1	3	3	0	3	5	6	4	6	5	6	4	3	2	2	4	2	3	3	3	3	5	4	12	7	10	12	7	12	5	18	6	15	13	5	17	3	16	3	1	8	12	9	11	2	12	10	12	10	13	3	4	10	16	18	3	6	12	10	10	17	11	9	10	8	12	10	9	10	11	10	6	11	15	15	13	10	7	3	6	13	15	14	14	13	9	6	11	17	23	16	10	2	13	4	6	13	14	18	15	17	28	17	21	11	20	11	8	9	6	4	5	5	6	4	7	9	11	15	13	28	16	12	8	20	13	16	16	14	13	10	32	8	3	8	5	15	3	9	11	11	8	5	3	5	3	4	8	5	6	11	0	5	7	7	4	9	5	2	1	1	2	27	19	21	26	20	37	22	23	33	36	14	2	16	17	1	5	14	6	5	5	3	8	7	6	11	14	2	13	12	24	6	9	6	6	4	3	9	10	6	11	9	8	7	15	0	7	19	7	18	16	13	15	12	9	10	20	20	1	7	13	13	12	6	10	8	6	10	9	12	10	10	8	9	8	10	27	28	26	10	13	7	4	15	10	2	5	10	12	10	5	5	10	18	11	5	13	7	6	1	6	3	4	3	9	2	28	10	9	5	5	3	9	7	5	5	0	2	6	6	7	20	7	14	6	5	7	18	1	2	11	7	6	6	9	0	2	23	15	5	11	3	9	3	1	3	9	15	8	3	7	0	1	3	4	5	7	9	13	22	10	16	12	2	20	5	11	11	7	3	3	6	11	8	11	9	29	2	6	3	12	25	8	2	5	9	10	11	10	14	47	34	17	17	16	17	3	11	6	18	22	11	11	20	9	13	10	13	19	21	24	19	24	4	1	0	20	6	20	12	5	2	13	8	20	18
+Difenoconazole_isomer2	2	2	0	4	5	5	5	5	4	4	3	5	3	2	4	4	1	2	2	2	5	4	11	6	11	15	6	14	12	21	6	14	15	4	15	6	21	6	4	9	14	9	14	1	8	8	9	9	11	1	3	11	10	15	8	6	9	5	9	8	12	8	8	7	10	7	6	8	10	10	5	10	14	20	20	16	14	8	5	22	18	15	19	23	16	11	13	20	26	14	10	2	11	6	8	16	16	22	18	23	29	10	23	17	20	7	5	8	8	9	5	9	6	6	5	4	5	10	7	26	11	7	5	26	22	11	16	11	11	8	25	13	5	17	8	15	6	12	15	12	9	9	8	8	6	4	6	1	8	15	0	8	12	12	9	15	9	6	5	2	8	16	22	15	16	10	29	14	17	37	29	16	5	16	15	6	5	10	5	4	4	2	11	3	9	5	11	2	11	12	27	6	14	9	11	6	4	12	15	7	13	11	12	10	11	2	11	19	8	10	9	11	20	12	10	9	18	17	3	3	9	11	13	8	9	7	5	10	8	13	12	12	9	8	11	12	14	19	13	12	17	9	5	10	13	4	6	10	13	8	6	5	7	11	15	4	14	9	8	5	8	2	5	9	6	3	34	11	14	8	3	5	12	10	6	6	0	3	9	7	9	22	8	14	10	7	8	12	3	2	6	11	6	6	6	1	2	22	15	12	12	8	17	5	1	3	8	16	12	4	11	3	3	5	7	8	7	18	20	14	15	14	22	3	14	5	5	22	4	7	8	10	13	12	7	6	35	4	6	6	14	15	8	2	10	7	11	15	14	13	34	61	7	20	18	9	4	6	8	17	17	14	8	21	11	16	10	14	26	27	14	27	31	3	2	5	17	11	14	12	5	5	17	13	28	25
+Diniconazole	7	5	1	7	8	11	6	5	5	6	20	11	3	4	6	4	4	5	5	5	6	8	18	5	14	7	11	17	16	18	12	11	11	10	19	10	41	4	2	18	11	16	14	2	27	26	26	26	26	4	1	15	22	33	9	14	12	9	11	24	10	16	11	11	14	8	9	8	13	11	4	9	9	17	13	8	10	5	12	19	10	7	14	8	17	12	13	17	27	35	12	12	14	6	6	9	12	19	14	19	27	23	25	20	23	6	12	9	20	15	12	13	15	9	10	15	10	16	8	21	9	9	8	16	10	27	26	9	14	10	48	16	4	12	5	12	10	18	15	13	8	18	8	1	8	10	16	4	7	10	2	5	9	13	9	18	10	7	11	4	18	37	30	27	28	34	46	22	27	51	52	22	12	26	33	6	3	20	20	17	15	8	22	11	8	16	16	1	13	13	33	9	14	8	12	1	2	11	16	8	13	8	8	11	23	3	15	26	14	23	37	28	28	11	17	21	20	33	5	22	17	30	8	13	16	17	15	16	16	11	11	10	12	9	11	11	26	32	24	11	13	18	10	21	16	5	4	11	28	11	21	20	10	15	21	6	16	11	9	5	3	5	2	3	8	5	29	14	14	9	10	7	28	19	7	19	4	3	12	9	16	35	3	26	18	11	12	18	2	8	23	13	5	11	7	4	7	33	37	24	16	10	12	4	1	8	15	18	13	15	7	8	0	3	18	15	9	12	9	22	8	24	20	8	19	14	16	19	15	20	19	22	12	9	9	16	28	1	7	12	22	35	18	6	4	15	16	19	9	32	17	7	58	25	27	24	6	20	12	29	37	21	24	25	19	23	26	13	28	39	39	34	36	5	1	2	38	24	36	27	11	3	30	17	44	34
+Epoxiconazole	7	5	7	11	14	10	11	4	3	9	19	6	10	5	6	6	6	6	7	6	6	7	25	9	19	21	17	23	19	40	18	22	35	14	38	20	60	14	7	18	26	23	44	6	31	30	32	29	32	13	8	19	21	19	19	19	21	14	23	26	28	20	19	14	24	14	14	24	26	25	17	25	33	37	40	29	19	17	19	42	34	32	46	36	45	35	42	46	51	27	30	16	33	29	31	25	29	46	43	46	60	39	44	48	46	12	9	7	13	14	11	12	12	16	11	15	10	22	19	46	24	5	6	32	19	22	23	13	16	16	45	26	9	22	9	26	15	19	22	17	15	25	17	12	16	16	22	6	10	13	4	13	18	16	18	30	18	15	19	7	27	44	41	35	38	43	56	35	41	70	67	20	21	22	16	15	4	19	34	26	26	11	34	26	20	16	17	1	16	16	46	18	24	16	22	8	7	22	20	16	20	20	20	11	37	11	22	47	19	32	36	35	27	15	26	21	38	50	9	15	19	38	19	17	22	25	23	25	20	26	27	26	25	17	24	28	41	46	42	24	30	22	16	26	27	7	11	16	38	16	31	29	16	19	39	11	31	13	17	6	14	9	3	10	13	8	60	21	29	12	8	10	36	18	13	33	5	10	16	13	22	52	14	30	22	20	27	21	7	9	28	19	6	21	19	6	8	45	46	36	31	24	25	7	7	10	20	36	27	14	23	15	2	4	32	31	18	25	31	33	22	33	47	6	33	24	21	35	26	24	19	22	24	24	12	26	52	12	9	20	27	43	19	9	12	16	16	29	25	30	17	20	25	86	42	36	14	24	18	40	47	37	27	36	23	39	17	33	45	63	51	55	59	12	3	4	38	45	69	52	20	10	46	30	59	45
+Etoxazole	17	8	10	12	14	9	5	12	10	17	26	17	9	10	12	13	7	8	10	10	11	12	33	11	24	26	16	37	37	51	21	23	30	15	32	25	84	31	14	15	24	17	41	3	35	26	28	28	28	9	8	14	27	14	19	13	18	13	20	19	25	17	16	14	22	14	13	20	19	20	13	20	25	32	46	32	18	10	11	43	30	24	30	20	38	33	37	36	44	33	24	22	35	20	21	21	18	34	27	35	58	27	33	36	43	17	17	15	18	19	17	20	21	21	18	12	9	19	13	41	17	12	9	32	14	17	18	10	23	14	35	42	15	34	15	35	35	34	33	32	21	39	25	12	27	19	31	8	18	31	10	19	26	23	25	52	38	36	42	15	48	40	33	23	28	23	56	17	20	91	59	23	14	16	11	21	10	14	42	35	36	9	51	39	29	20	16	2	26	27	61	19	42	16	39	12	11	26	31	16	31	21	23	33	34	11	37	48	27	59	35	43	50	33	29	34	43	77	8	18	31	45	18	23	14	15	15	20	10	22	25	26	22	14	25	24	35	39	35	24	48	35	26	28	42	12	12	19	45	18	25	25	21	22	49	13	42	15	19	15	25	12	6	6	20	9	56	44	45	16	7	10	47	28	18	32	9	10	16	20	29	48	26	46	42	29	11	24	4	13	50	21	10	30	27	8	12	65	34	38	48	30	33	6	10	14	19	35	36	15	28	17	6	14	38	46	16	34	30	29	16	22	49	16	32	41	18	27	18	38	21	35	36	35	17	22	51	22	24	24	39	53	36	10	9	18	18	20	31	24	16	18	27	42	144	39	12	21	16	37	52	40	20	33	27	44	11	39	53	62	55	68	61	16	8	12	47	56	82	78	24	10	75	58	103	86
+Fenarimol	9	8	7	15	16	11	10	11	9	13	26	14	15	10	11	13	9	9	10	10	6	6	24	11	15	23	16	15	17	31	12	23	26	20	39	11	37	9	3	14	21	31	31	5	22	18	17	16	18	15	17	28	21	19	15	24	33	27	30	24	26	34	33	27	35	27	27	29	33	30	23	21	26	27	24	20	15	10	13	25	27	25	23	21	23	16	24	31	39	29	16	16	22	18	21	23	18	30	30	32	44	23	26	24	32	19	16	12	12	10	11	13	12	15	22	16	14	22	16	30	19	13	12	29	13	17	18	15	16	11	42	16	8	14	7	25	12	16	15	19	12	17	13	10	10	8	20	6	9	14	3	12	10	10	7	20	19	18	15	6	22	52	21	31	45	34	59	32	37	49	64	29	19	24	21	8	3	17	32	22	24	10	26	22	13	20	15	3	18	20	41	23	20	16	25	8	9	18	19	17	23	19	20	21	44	5	15	39	13	29	33	36	31	16	18	19	39	35	6	15	20	26	16	19	28	31	28	37	32	29	26	25	33	28	21	31	37	39	37	28	20	14	13	22	24	4	8	12	30	15	26	26	19	26	35	9	20	9	8	10	12	6	3	7	14	4	53	30	26	8	6	7	30	15	6	16	8	6	11	10	18	43	13	30	17	10	16	29	5	9	36	21	4	15	16	7	2	36	31	22	20	16	14	6	7	11	16	24	17	15	11	4	0	3	14	29	10	19	22	26	17	24	33	13	24	22	20	20	17	16	13	22	22	18	10	27	43	10	12	14	24	53	21	7	12	15	16	18	21	23	17	9	24	36	39	82	4	22	11	31	63	26	26	27	14	25	17	27	39	41	50	35	43	9	3	3	38	23	45	28	19	4	36	28	43	38
+Fluquinconazole	1	2	1	0	1	1	1	1	1	0	2	2	2	1	1	1	2	2	2	2	4	6	9	4	3	5	2	6	1	7	1	6	12	3	11	1	7	8	0	10	13	4	10	5	8	6	7	6	7	5	4	4	2	7	5	3	9	8	11	11	12	6	5	4	11	7	9	14	13	14	11	11	6	8	3	9	4	4	0	5	8	5	5	2	6	5	4	5	10	15	2	1	4	1	2	4	4	5	5	5	12	9	8	8	10	6	5	2	8	9	3	5	9	6	5	4	3	8	3	12	4	3	4	13	6	10	12	6	4	5	18	1	1	5	5	2	1	3	6	3	4	4	1	3	1	0	0	0	3	3	0	3	4	2	5	5	0	1	1	0	1	10	10	12	8	10	18	11	12	19	18	6	1	4	6	0	1	4	5	2	2	2	3	2	5	5	5	0	5	4	10	4	3	0	2	2	1	1	1	1	2	1	1	3	8	0	7	9	1	4	16	12	4	4	5	3	8	8	1	2	2	6	8	2	2	4	4	8	5	12	11	11	11	11	8	13	9	16	12	13	2	5	3	9	9	1	2	1	5	5	6	6	2	7	6	3	4	6	3	0	7	1	2	2	3	1	16	6	3	2	1	2	3	3	1	5	1	1	3	1	2	8	8	3	8	0	2	6	2	1	14	1	2	1	1	0	0	3	4	4	3	3	4	1	0	1	11	3	6	4	4	0	1	2	3	4	2	4	7	5	4	4	4	0	8	2	4	6	3	4	3	3	3	3	2	5	19	0	2	6	4	12	2	1	7	5	4	1	1	10	3	4	6	14	12	4	36	6	4	8	11	3	4	7	4	5	3	4	7	3	14	6	5	0	1	0	12	1	4	6	0	2	3	1	9	7
+Flusilazole	6	4	5	12	12	7	9	8	8	11	17	7	7	4	6	5	2	3	4	4	6	7	17	8	14	8	11	14	13	14	15	6	16	12	19	11	37	9	7	12	14	14	22	0	20	18	17	19	18	6	3	10	18	16	10	10	11	9	12	12	14	12	13	11	10	8	9	11	15	12	7	12	10	15	16	13	11	4	10	25	18	17	19	14	20	14	17	21	26	18	15	9	17	16	16	9	9	19	18	19	26	18	19	21	21	7	9	7	9	7	8	7	10	8	7	7	6	12	6	16	8	5	5	17	8	14	13	3	3	3	24	12	4	8	4	15	10	11	14	12	9	14	6	7	8	9	16	7	7	6	4	5	14	11	7	18	16	14	15	5	18	24	19	11	15	15	19	10	11	37	27	13	9	18	15	8	3	8	22	20	21	10	22	13	8	14	11	0	15	18	33	14	13	9	14	5	4	14	13	14	14	15	15	11	22	6	10	25	7	26	20	21	26	9	12	15	26	29	3	10	16	21	6	14	12	15	14	15	13	13	14	14	13	10	12	14	19	18	18	14	13	11	10	17	18	2	6	7	23	10	20	20	6	11	21	10	15	13	9	5	2	4	4	5	9	4	30	8	21	9	4	7	20	10	8	17	3	7	10	5	9	34	2	17	13	15	10	10	2	8	16	10	4	8	14	9	7	26	30	21	15	13	13	3	9	11	9	20	12	8	11	6	2	2	18	16	11	13	8	19	16	21	15	6	17	13	13	17	15	13	10	16	14	11	10	15	29	4	9	13	18	23	14	5	7	10	9	15	12	17	11	6	20	24	21	22	6	45	13	21	26	24	23	15	15	23	15	13	23	32	32	32	33	12	3	3	25	25	33	34	14	5	29	17	33	24
+Flutriafol	1	4	3	5	5	4	4	4	3	3	12	5	3	4	2	4	3	4	4	4	3	2	10	3	3	6	10	10	7	14	9	7	12	6	11	5	20	0	0	3	4	11	10	2	13	12	13	11	13	3	3	5	16	12	5	8	6	5	5	7	3	6	8	5	7	6	5	6	5	5	3	3	8	9	12	8	10	7	6	15	12	10	17	14	10	7	10	12	10	5	9	4	10	4	6	8	9	14	10	10	11	12	17	13	12	4	4	1	0	2	1	0	2	5	2	6	3	3	4	13	3	1	1	12	9	7	7	4	7	3	17	6	2	10	3	8	4	9	7	5	5	8	2	3	0	2	7	0	6	8	0	3	6	7	2	14	6	5	8	1	12	15	15	10	10	5	14	9	9	26	16	6	3	13	13	5	4	3	16	14	13	6	10	8	8	7	5	3	8	10	19	6	4	8	3	1	1	4	6	1	7	2	5	3	13	3	6	15	4	7	11	15	16	6	7	6	15	12	0	5	10	12	6	6	8	9	9	8	6	4	3	4	6	4	4	6	9	8	8	5	12	8	3	13	13	2	6	11	15	6	12	11	6	6	13	5	8	8	6	5	0	4	2	4	4	1	14	7	8	8	5	3	16	9	7	12	2	1	9	2	6	15	0	11	6	3	7	7	3	4	9	11	1	10	3	2	0	20	18	13	2	6	10	1	3	3	7	8	3	6	6	3	1	3	10	7	3	11	10	5	9	11	13	2	10	4	7	14	6	11	5	10	10	8	8	13	16	0	2	4	12	18	10	3	5	10	12	8	7	7	6	8	12	18	16	11	4	13	27	16	19	10	14	15	9	9	7	9	15	22	21	17	20	3	1	2	15	18	22	10	8	3	10	11	24	22
+Hexaconazole	5	5	6	13	14	8	7	8	6	13	13	11	10	6	7	6	4	5	5	6	8	6	19	7	11	11	9	21	19	32	13	13	21	10	26	10	42	6	2	14	27	24	30	5	34	24	27	27	26	15	14	18	21	22	18	20	26	21	20	26	25	27	22	22	27	21	22	23	25	25	19	27	21	23	22	19	13	7	11	26	20	13	22	19	19	12	23	24	29	33	17	14	25	15	17	15	17	25	26	23	26	19	28	20	27	15	20	11	15	8	9	9	10	19	20	13	12	21	13	26	8	10	10	20	15	22	23	12	15	12	49	21	4	18	10	23	9	15	12	16	13	14	8	6	5	12	17	3	6	17	2	5	10	8	10	20	12	9	16	6	23	60	31	33	43	34	52	28	30	66	58	25	12	23	23	6	6	14	25	15	16	9	21	12	18	13	19	5	15	23	42	16	18	15	20	8	8	15	17	10	19	11	15	14	37	4	13	45	18	24	38	31	31	20	25	26	31	32	4	20	23	33	16	20	18	24	22	28	23	27	26	29	22	21	28	24	31	32	30	22	20	14	10	29	27	7	10	13	31	17	20	19	20	24	21	8	16	10	11	8	6	5	4	5	14	4	54	28	30	10	6	4	34	16	11	13	6	2	17	7	20	47	6	28	21	8	13	17	6	5	25	20	6	16	11	2	3	35	37	24	19	10	18	7	3	8	17	24	22	22	12	7	2	8	12	16	16	20	16	34	19	28	24	12	25	15	19	23	12	23	15	22	10	9	8	20	39	3	13	19	24	47	20	8	11	30	33	24	19	29	18	17	29	40	37	31	8	21	16	78	42	20	26	43	28	21	25	25	36	51	44	44	48	8	1	4	48	25	45	24	13	3	23	23	44	32
+Nuarimol	14	9	9	16	17	14	11	12	10	15	24	15	10	11	13	14	8	9	10	10	10	8	29	11	15	28	18	24	17	38	16	30	34	15	47	22	55	17	7	21	29	35	45	7	33	32	35	34	37	17	15	30	24	29	28	26	34	27	30	29	32	38	35	30	36	28	26	28	31	28	19	25	28	30	31	27	16	13	15	35	34	29	33	33	37	26	34	41	46	38	22	16	26	21	22	24	23	35	31	41	57	35	36	33	38	29	26	23	16	19	20	19	22	25	24	25	19	32	23	46	28	17	15	31	21	31	34	14	16	15	55	25	12	23	9	33	19	26	23	27	15	24	18	11	13	13	22	5	12	16	4	13	14	15	13	31	19	18	23	9	30	58	33	38	58	48	65	39	45	71	75	33	19	31	29	11	4	19	40	29	31	12	30	30	17	23	23	3	29	28	59	17	24	20	31	10	9	22	21	15	20	19	19	21	44	13	23	48	23	40	48	47	45	23	31	31	47	55	8	19	29	38	19	24	31	33	31	43	39	30	29	29	33	30	24	31	50	55	47	29	35	22	16	26	32	4	9	16	34	20	30	29	21	29	48	11	23	15	12	10	13	7	2	10	15	5	57	30	32	10	10	7	34	23	11	24	10	7	17	13	20	62	14	37	21	22	21	31	7	14	46	30	5	22	22	11	4	49	39	33	27	23	22	8	10	13	28	36	24	16	21	12	1	3	26	31	18	24	30	30	27	27	44	18	29	27	23	27	20	24	17	24	23	21	18	30	57	16	18	22	29	58	26	11	14	13	14	19	22	30	22	17	37	47	52	63	11	26	19	42	102	34	28	37	23	32	18	33	49	58	66	48	55	14	5	5	48	41	70	50	18	6	45	33	63	50
+Paclobutrazol	5	4	2	8	11	11	9	6	6	8	15	7	1	3	5	6	3	4	4	4	5	5	16	9	12	13	9	22	24	26	11	15	21	9	27	13	39	13	7	11	15	13	20	1	21	12	11	13	12	5	2	10	18	19	13	11	15	12	16	22	16	12	10	9	18	13	13	16	16	17	10	17	24	28	22	21	15	8	14	28	21	22	24	22	26	14	29	30	26	18	17	11	22	20	19	23	21	27	23	23	35	18	24	24	30	7	10	7	12	11	11	11	13	11	13	7	11	18	13	34	14	6	5	14	11	16	18	3	10	5	33	23	8	18	6	25	19	23	21	17	8	22	15	4	17	9	20	4	12	16	4	8	15	12	13	24	21	19	19	10	25	36	19	18	33	30	41	17	22	43	42	13	15	20	18	10	5	10	20	12	11	11	20	16	14	9	11	3	11	10	37	4	23	11	24	10	8	18	19	14	25	18	19	12	29	6	18	29	12	28	25	25	20	16	24	18	23	23	5	12	10	25	6	18	17	13	11	16	13	14	15	16	16	11	13	17	22	29	25	16	23	16	13	23	13	7	11	15	26	16	20	19	16	9	23	11	20	10	12	5	10	7	3	9	12	6	41	20	25	14	2	8	30	20	13	18	3	5	8	13	18	36	10	29	21	13	16	16	6	12	19	11	8	15	17	6	8	34	37	28	21	13	21	3	4	9	13	24	21	18	16	10	1	4	16	16	11	21	14	15	12	25	32	13	25	22	14	21	16	19	11	20	12	12	9	20	30	9	8	12	19	28	20	11	12	14	16	23	18	28	11	14	21	37	40	26	3	24	10	20	34	52	18	25	14	36	18	27	36	42	37	36	41	7	4	7	25	28	43	34	14	6	31	28	43	37
+Penconazole	3	6	4	7	8	8	7	8	7	10	16	11	8	1	4	4	4	6	6	6	6	7	19	10	10	9	7	18	16	18	9	12	18	12	21	7	31	5	3	10	11	20	16	1	21	15	17	16	16	7	5	16	21	25	13	16	20	12	11	16	13	23	19	15	21	11	11	10	16	13	5	10	15	16	11	12	7	5	5	15	9	11	11	10	16	9	13	16	17	19	11	10	16	11	12	15	12	18	14	15	24	13	20	14	21	10	11	10	15	5	10	9	8	14	9	5	5	10	7	18	9	5	3	15	7	11	13	6	10	7	29	16	2	13	5	16	10	12	14	16	10	17	7	3	7	7	13	2	4	7	1	4	10	10	11	17	12	9	11	6	17	35	22	23	25	22	37	21	23	39	42	21	12	24	23	6	4	14	12	6	7	5	16	10	9	11	12	2	12	16	31	12	23	7	16	4	4	14	18	13	18	13	14	13	27	5	15	27	12	27	30	19	22	14	16	20	25	23	5	14	15	26	5	13	16	21	17	24	20	13	12	11	16	13	14	15	15	17	14	13	16	11	10	18	16	5	6	12	25	14	17	17	10	17	18	2	14	13	6	4	5	4	2	5	13	4	35	13	23	8	4	6	24	17	7	13	1	4	11	9	15	31	5	24	19	8	11	10	4	7	15	10	3	11	12	3	2	23	32	22	17	9	11	2	4	13	10	16	14	12	8	8	1	4	10	13	16	11	7	28	13	19	25	7	21	15	15	20	14	20	12	17	10	10	9	13	26	4	7	12	19	33	21	4	3	19	19	15	10	29	11	8	24	27	20	26	4	23	14	26	28	18	48	23	17	19	29	16	25	27	34	26	34	10	2	3	31	22	41	24	14	4	21	20	34	25
+Propiconazole_isomer1	5	4	1	6	8	8	5	6	5	4	9	4	1	4	5	7	2	3	4	4	6	6	19	7	12	11	4	18	14	31	5	20	28	4	26	7	33	12	10	15	14	21	19	4	28	30	32	29	33	7	7	16	16	20	15	17	21	17	13	21	13	23	19	16	23	18	19	16	16	17	11	14	14	25	39	22	17	14	8	31	22	16	26	20	23	15	24	31	36	22	17	19	31	17	22	14	12	32	29	36	40	24	28	35	36	13	17	10	12	8	7	7	8	15	17	9	9	21	12	34	12	6	6	19	20	18	22	8	15	11	41	22	4	16	11	20	17	24	20	19	10	16	9	7	12	4	10	2	7	15	7	8	12	14	10	22	16	14	16	7	20	44	45	22	31	31	46	20	24	61	55	22	12	27	25	6	5	18	21	18	20	6	18	17	17	18	11	5	10	16	41	4	25	16	23	8	8	15	24	14	21	13	16	16	33	1	21	24	8	20	24	29	28	19	19	13	26	29	6	14	20	23	10	15	18	24	21	27	19	15	13	14	21	18	12	18	16	27	23	17	29	14	7	14	16	6	10	17	29	14	20	19	21	20	22	4	31	15	9	9	12	5	5	7	12	6	49	21	24	10	8	6	24	14	11	15	5	3	12	4	19	48	12	27	19	16	13	18	2	5	19	19	6	13	16	3	5	39	35	22	28	18	26	6	3	11	16	28	24	16	18	8	4	11	13	20	7	29	27	31	17	22	37	9	18	27	14	24	17	19	11	22	18	18	8	14	36	15	14	17	16	43	25	7	14	24	27	21	23	26	20	21	25	36	33	27	7	15	15	43	37	25	23	83	39	24	20	26	44	55	44	45	61	6	7	10	42	27	47	37	9	5	35	24	55	48
+Propiconazole_isomer2	2	0	1	3	4	5	3	5	4	3	9	5	1	4	2	2	0	0	0	0	2	2	11	3	8	6	2	11	8	21	4	9	11	2	12	6	20	7	2	10	12	16	9	4	27	20	20	19	20	5	4	11	10	11	11	14	18	15	10	17	13	19	15	15	19	16	16	13	14	14	10	11	6	10	15	7	8	4	2	16	9	5	13	6	8	8	11	16	19	10	11	9	15	7	8	5	7	16	15	16	15	13	17	14	14	11	10	6	8	3	4	4	5	8	12	7	8	13	8	13	7	4	4	9	9	12	12	5	9	7	28	9	2	11	8	6	8	10	8	9	12	8	7	3	5	4	12	0	5	7	3	5	10	8	8	14	9	9	12	7	12	26	30	16	21	20	28	15	17	38	32	13	4	14	13	0	4	14	9	5	5	8	12	4	13	9	8	2	7	12	20	3	14	8	14	4	3	7	10	6	8	6	6	7	23	1	8	14	3	8	16	20	16	12	16	7	17	14	4	11	11	16	6	6	10	17	16	19	15	12	11	12	16	17	9	16	12	23	21	14	15	10	7	9	12	3	10	13	20	8	18	16	6	8	8	2	14	8	5	7	1	1	4	6	9	3	32	14	14	8	6	3	21	8	7	13	3	0	5	4	18	26	1	23	12	4	6	6	2	7	10	8	5	9	5	2	1	25	23	17	17	8	18	0	1	6	7	17	9	16	13	4	3	6	8	10	4	19	7	18	10	19	25	3	14	11	13	13	16	20	12	13	4	5	6	8	22	4	8	9	15	28	14	5	6	25	25	10	11	16	9	11	19	23	27	14	4	15	9	28	23	14	17	39	44	20	17	17	22	27	29	23	30	2	2	4	30	18	27	22	6	4	18	17	36	34
+Tebuconazole	6	8	2	5	7	7	7	4	3	7	12	7	1	3	6	5	6	8	8	8	6	6	19	13	15	16	10	22	21	34	14	13	19	10	22	16	40	16	10	4	12	6	22	1	20	15	15	15	16	5	1	8	20	13	14	6	9	6	9	15	11	8	9	7	8	6	6	9	8	9	7	11	20	26	33	25	15	10	15	28	28	26	31	24	27	18	31	31	29	17	19	12	26	24	23	17	22	33	30	30	37	22	31	27	30	8	7	5	7	2	4	7	6	12	10	8	10	18	15	30	12	7	6	21	11	20	20	7	10	7	30	25	6	19	6	22	17	21	18	18	10	19	13	8	14	11	16	5	11	16	3	13	16	11	13	25	20	18	19	9	25	31	28	13	17	13	39	9	12	49	34	15	16	17	13	12	7	12	18	15	14	13	21	19	21	14	9	3	10	9	37	5	24	13	21	10	7	20	24	15	26	17	19	14	29	8	20	36	10	24	21	29	20	16	23	14	22	26	8	16	10	23	7	14	14	8	8	9	7	15	13	13	10	9	9	11	18	21	19	9	31	21	13	25	16	10	11	20	31	12	25	26	14	10	30	7	22	13	10	8	8	8	2	6	12	6	40	16	25	11	5	8	41	20	12	19	3	8	10	9	23	36	9	27	23	13	11	17	6	8	16	10	6	19	17	5	8	34	40	29	21	15	25	5	5	12	11	26	19	15	18	11	1	9	16	15	12	27	12	16	13	30	34	6	28	20	9	21	16	17	17	23	12	13	12	13	28	8	6	10	20	30	21	8	12	21	21	24	22	27	13	16	23	39	44	25	5	23	9	21	32	36	19	24	20	57	14	23	39	51	38	43	55	11	5	8	31	39	47	40	13	7	34	28	52	47
+Tetraconazole	1	2	0	7	8	6	5	5	5	5	13	3	5	1	3	2	1	2	2	2	5	4	9	4	5	12	4	9	5	10	3	13	11	9	20	3	14	4	1	9	8	15	17	1	18	13	14	13	13	3	2	12	12	17	7	14	13	11	9	14	8	13	13	11	14	10	11	10	10	11	5	8	9	11	11	11	4	2	4	11	13	12	10	10	16	11	11	15	18	10	11	7	15	11	11	6	6	16	13	11	18	14	16	13	18	3	4	3	14	5	9	7	8	5	5	5	5	10	5	18	10	8	5	16	15	11	14	6	6	6	29	7	1	5	4	5	6	7	9	9	6	9	3	1	4	3	5	1	2	3	1	2	6	6	6	5	8	6	6	3	8	21	18	14	14	14	28	11	15	31	30	11	8	16	14	7	5	12	9	5	4	3	13	4	8	10	9	2	6	12	20	5	12	5	10	3	3	11	11	9	12	8	10	6	17	2	9	11	3	6	11	8	15	8	4	5	14	13	2	8	10	18	7	12	12	16	15	14	13	8	7	8	11	11	6	12	13	17	12	12	8	6	5	9	10	2	1	4	16	5	9	9	4	10	14	3	11	5	6	3	3	2	3	2	5	3	20	8	8	6	3	4	12	6	5	7	0	3	4	5	12	26	3	14	9	2	7	7	2	1	7	4	3	3	4	2	1	12	23	6	11	9	8	1	1	6	6	13	15	12	5	2	0	1	3	13	5	9	9	20	8	12	12	4	10	6	4	18	8	9	10	12	7	5	6	6	34	2	4	7	12	19	14	6	8	14	13	9	9	25	10	10	26	17	11	17	3	15	7	25	18	18	29	20	17	14	47	11	17	20	26	26	21	5	1	2	21	9	14	9	6	2	10	6	15	14
+Triadimenol_isomer1	3	3	2	7	7	6	6	7	6	6	5	4	2	6	7	7	3	3	3	3	4	3	16	9	11	16	11	14	15	30	5	19	19	3	32	11	34	10	5	12	18	11	20	3	24	18	18	20	19	8	4	12	15	13	12	10	13	9	11	24	16	17	13	12	14	9	12	14	15	14	11	15	24	21	29	20	16	5	11	28	25	20	22	21	21	18	28	27	25	29	17	7	25	20	20	16	18	27	28	30	34	17	25	24	23	13	15	10	10	17	10	12	16	8	11	11	12	25	19	27	17	11	12	16	16	17	17	6	15	5	27	18	5	14	7	22	15	20	15	13	6	12	7	5	8	4	10	4	9	13	2	6	13	10	6	24	17	17	21	10	24	40	26	26	38	29	46	25	29	47	47	19	15	14	16	6	8	10	22	18	16	10	8	9	20	10	11	6	12	11	29	4	15	11	17	6	5	15	18	12	21	11	16	12	29	7	13	32	7	16	29	26	16	19	19	15	27	22	6	18	9	20	14	17	17	13	12	18	18	17	15	16	13	12	14	15	25	29	23	14	18	13	13	17	16	6	7	15	27	13	15	14	14	9	26	8	8	8	14	10	6	2	4	5	12	1	44	21	21	12	6	4	25	14	14	19	2	4	7	6	18	23	7	23	18	4	12	16	7	5	15	16	3	15	5	4	3	29	30	25	14	6	23	3	4	7	21	29	11	10	18	9	3	7	10	15	14	24	16	15	14	11	27	6	20	17	14	22	5	20	16	19	9	9	8	15	32	4	10	10	15	32	23	11	16	12	14	21	21	21	13	14	13	33	39	27	4	13	9	25	33	27	16	26	17	23	11	54	44	39	35	30	41	7	4	5	28	32	36	30	10	5	28	26	43	37
+Triadimenol_isomer2	10	4	7	13	15	12	9	8	7	9	14	7	3	7	10	8	4	5	5	6	7	5	25	9	15	29	16	26	27	45	11	23	33	10	33	18	61	17	8	18	24	16	34	4	40	36	39	36	36	8	6	18	25	25	20	12	18	12	17	22	20	23	23	17	20	13	14	17	18	16	13	20	25	33	46	35	18	9	12	45	33	28	41	32	35	32	42	44	48	31	26	17	34	25	25	24	21	37	38	40	57	33	45	34	47	15	13	9	8	10	8	9	16	12	11	10	12	26	20	47	18	14	11	36	26	27	31	13	18	17	51	33	10	26	11	29	26	30	23	28	12	26	15	10	17	10	21	6	13	21	5	13	21	23	17	40	23	21	26	9	33	48	50	31	37	33	70	28	34	92	68	23	17	28	27	15	8	16	25	21	21	14	29	23	27	22	16	6	18	19	50	11	32	18	28	12	9	26	27	16	30	22	23	17	35	8	26	46	18	42	32	37	34	34	27	25	33	47	8	22	24	37	21	19	23	19	15	27	19	23	21	23	20	14	16	21	26	34	25	19	41	21	18	22	30	9	11	17	35	23	27	28	22	14	47	11	28	13	15	12	17	7	4	9	18	7	68	26	35	11	10	6	45	23	18	22	3	10	17	13	28	41	19	37	25	19	14	19	8	12	30	27	7	24	24	4	7	55	45	35	36	25	30	5	5	10	21	32	29	11	23	14	6	13	20	25	16	31	31	33	21	37	52	14	33	30	11	31	18	26	19	31	25	26	16	25	58	13	12	20	22	37	28	13	21	19	22	28	26	24	19	26	28	45	53	39	7	23	15	36	49	36	25	44	22	39	17	44	116	70	56	61	72	11	7	11	53	52	73	57	15	9	51	38	80	66
+Metconazole	8	9	6	14	16	13	14	7	5	13	24	11	7	6	7	8	6	9	9	9	9	8	26	13	20	23	17	28	33	53	20	30	40	17	47	19	72	22	13	15	27	23	47	2	39	33	35	33	36	10	7	20	30	24	21	18	26	21	20	20	28	23	23	20	26	20	22	21	20	21	16	27	29	41	53	36	27	17	21	51	44	38	46	38	43	31	51	57	61	32	32	21	34	29	32	23	31	53	49	53	61	33	45	48	56	9	10	6	12	9	8	10	12	19	13	14	15	31	25	56	21	12	10	40	25	26	26	10	14	12	49	37	9	24	11	31	31	35	22	24	12	32	16	12	17	16	27	7	13	23	7	14	23	26	16	46	31	27	32	11	39	51	59	30	30	28	60	25	28	92	63	24	20	30	25	21	6	10	36	32	30	16	50	28	26	21	20	5	22	20	65	18	37	20	33	14	13	29	36	22	36	24	29	27	47	12	26	53	16	39	39	49	41	27	34	25	41	52	8	24	29	40	14	23	27	24	22	29	24	27	28	28	25	23	21	23	26	31	28	22	48	26	19	28	32	11	14	24	47	18	37	35	24	25	45	10	42	18	17	13	17	10	6	9	17	8	73	22	40	14	9	12	51	28	24	30	7	12	16	11	28	73	18	41	26	25	20	27	10	11	25	32	7	26	26	6	8	58	61	39	40	32	37	9	7	12	22	41	32	18	29	15	5	12	24	29	19	41	34	38	25	42	50	14	42	34	30	39	29	27	21	36	26	26	14	30	63	15	16	23	29	48	34	12	20	25	24	33	33	38	21	27	39	63	62	41	3	32	22	51	58	42	27	55	27	51	20	39	70	126	67	82	113	11	10	12	54	58	72	67	22	10	61	47	101	81
+Triflumizole	11	13	7	12	14	13	12	14	12	12	28	13	10	10	12	14	11	13	15	15	10	11	37	16	21	24	15	24	23	44	12	19	33	15	45	21	70	13	8	18	32	32	41	9	47	39	42	40	41	15	10	20	30	27	17	26	32	26	33	40	36	34	29	27	36	25	26	34	36	38	23	33	22	26	35	19	16	11	15	44	27	24	35	29	38	31	33	39	62	44	29	17	32	23	25	19	21	37	39	38	58	35	39	36	46	19	21	18	12	12	18	18	13	19	15	11	9	21	14	41	15	8	7	33	15	31	34	15	17	15	68	29	6	19	10	21	20	22	23	27	11	19	10	4	11	8	26	4	9	13	5	9	23	13	15	34	29	25	31	6	34	55	47	28	55	40	71	27	32	97	68	22	21	25	30	11	6	22	32	28	25	12	36	26	25	34	20	2	22	28	68	19	27	15	22	7	6	20	19	12	21	15	18	26	50	7	22	58	15	46	46	50	42	23	34	22	42	54	5	26	28	53	13	22	30	32	30	36	28	32	34	34	32	24	29	40	42	46	43	37	35	22	15	37	35	7	12	20	43	22	32	30	20	32	50	8	29	13	13	8	11	8	5	6	18	8	68	37	31	15	10	11	41	22	13	31	6	11	16	7	24	72	12	38	20	20	20	19	11	12	40	27	5	20	18	11	8	58	51	35	33	22	32	7	9	9	23	37	26	22	28	14	2	12	27	28	18	35	22	45	15	36	46	17	39	28	27	24	25	40	25	37	19	18	16	34	61	13	15	21	27	63	34	11	13	24	29	26	26	38	24	14	39	51	55	50	14	32	21	44	66	37	34	44	29	38	26	35	56	67	128	58	71	11	4	5	68	47	79	60	17	11	56	46	84	71
+Triticonazole	10	6	7	13	16	12	11	9	7	17	30	14	10	6	8	9	4	6	6	7	5	5	30	7	20	24	16	24	33	42	17	24	33	18	37	18	65	18	8	10	14	19	44	3	25	24	25	23	28	3	2	17	24	30	18	17	16	13	12	15	13	16	20	15	15	11	13	11	9	14	6	11	26	31	47	37	20	15	21	52	43	40	45	43	46	35	40	44	52	18	28	18	30	30	34	24	26	46	45	45	55	29	38	37	50	6	8	3	4	5	4	3	7	9	9	6	7	17	12	40	17	10	6	33	27	28	29	12	15	10	46	36	7	23	6	27	20	27	20	21	11	23	13	12	13	14	23	4	14	23	2	14	22	21	13	40	28	26	31	10	39	31	54	15	16	15	41	11	16	80	40	18	19	33	28	22	7	11	34	21	22	15	41	22	25	18	16	3	19	17	53	12	24	13	26	12	11	28	30	20	33	21	25	19	33	9	23	43	10	30	14	37	37	18	23	20	34	44	7	16	20	32	16	22	21	21	19	18	16	14	12	11	14	11	11	12	12	18	12	9	46	26	14	22	34	11	13	18	48	15	29	27	16	17	47	11	31	16	15	10	16	6	5	7	9	8	48	12	28	16	8	10	50	19	18	29	7	9	21	13	22	70	17	38	23	13	19	23	5	6	20	25	4	17	17	7	3	51	59	30	26	25	35	8	7	11	12	31	24	14	27	11	6	11	18	28	15	35	32	34	20	32	43	14	25	21	15	30	17	29	23	32	19	20	12	27	69	9	11	17	33	36	27	11	18	19	20	31	26	34	19	27	34	55	68	35	6	32	17	44	48	36	26	45	23	43	26	30	61	82	58	124	82	13	6	11	46	60	73	48	21	11	48	41	86	74
+Ipconazole	11	13	7	14	16	13	14	8	6	15	28	11	7	8	8	10	10	12	14	14	10	11	32	14	20	29	18	31	39	53	21	29	46	17	38	19	77	21	14	17	26	25	49	1	34	32	33	32	36	10	7	20	28	24	23	20	22	19	20	19	25	23	24	20	23	17	20	21	20	22	14	24	30	44	55	39	25	17	20	56	46	39	53	46	48	37	51	61	68	29	33	21	34	27	30	28	29	57	49	56	62	31	43	49	60	13	15	11	14	10	9	12	15	16	17	12	12	28	22	55	24	13	10	39	25	25	26	12	18	9	45	37	9	30	12	30	31	34	24	28	15	33	18	13	19	17	26	8	16	27	6	16	25	23	15	49	32	28	32	10	41	53	57	26	28	26	63	20	22	102	67	23	22	28	25	24	8	12	38	30	27	16	50	32	29	20	19	5	25	25	68	13	35	21	35	13	10	29	35	22	36	24	30	24	43	13	29	55	17	41	37	45	43	27	37	26	43	51	10	25	28	37	17	22	27	26	22	26	23	26	25	26	24	22	21	24	29	30	28	22	50	29	18	30	33	11	14	22	46	18	40	39	22	26	47	12	43	18	15	15	15	13	5	8	19	9	70	24	36	16	8	12	51	27	23	32	6	11	18	15	27	75	16	40	31	25	18	30	10	12	29	33	6	30	25	9	8	62	61	41	41	30	37	9	8	12	22	40	36	19	30	15	6	12	24	28	17	41	35	32	25	44	54	13	42	34	25	40	26	29	23	34	28	28	15	34	65	14	18	23	30	54	32	12	21	26	23	33	34	43	24	31	36	59	61	43	5	33	20	48	55	41	34	61	30	55	21	41	72	113	71	82	138	11	9	14	61	62	77	68	22	10	62	47	100	84
+Fuberidazole	6	4	7	7	8	8	7	5	4	8	7	5	7	5	6	5	5	5	6	6	4	4	13	4	3	6	9	10	10	12	10	11	12	6	10	11	18	9	5	2	10	4	8	0	7	7	6	6	7	6	4	3	3	2	6	4	8	6	7	8	9	7	7	5	8	7	6	6	10	8	6	9	10	10	12	11	5	2	3	8	11	14	6	7	13	12	10	10	12	7	5	4	9	11	12	8	6	9	10	11	15	10	7	8	6	4	5	4	4	4	3	5	6	6	6	6	7	11	10	14	10	7	6	8	3	7	5	6	5	5	10	15	12	12	4	12	11	12	13	11	9	13	17	10	13	6	10	4	7	7	7	10	8	7	15	12	11	11	12	5	11	13	5	5	7	5	14	8	9	15	11	5	2	6	2	6	2	4	10	10	10	1	11	9	3	9	4	0	11	12	17	10	17	10	13	7	8	9	8	9	8	10	9	8	9	7	15	12	10	14	8	5	14	12	5	12	11	16	3	4	10	5	4	10	5	6	6	9	6	8	9	9	8	6	7	8	9	9	11	8	14	8	6	5	7	1	1	3	14	7	2	2	1	6	12	6	8	15	6	6	7	6	3	4	8	5	12	7	12	2	2	2	14	6	5	5	2	7	5	4	10	13	7	9	11	5	8	3	1	4	8	4	2	7	9	5	5	12	11	12	13	4	5	3	9	10	4	10	7	0	6	5	0	0	9	15	10	5	8	9	10	5	15	5	8	12	8	8	7	8	6	8	5	6	7	10	12	6	11	12	8	9	9	0	3	2	1	9	7	6	4	3	5	12	16	9	0	12	3	8	14	7	10	6	2	11	5	7	11	11	11	13	11	18	4	4	6	12	15	15	8	2	16	12	16	15
+Fenpropimorph_isomer1	2	2	1	1	3	4	3	1	1	2	2	2	1	1	1	1	2	2	2	2	1	1	3	2	1	3	2	4	6	6	2	5	5	1	5	3	8	7	3	3	3	3	2	0	3	3	2	2	3	1	1	2	0	0	2	2	3	3	4	3	5	3	3	3	3	3	3	4	2	4	3	4	4	5	6	6	2	1	1	4	5	3	4	2	5	1	8	8	4	2	1	2	3	3	3	3	1	4	3	6	7	2	3	4	3	1	1	1	1	2	1	1	3	2	1	2	2	4	4	8	4	1	1	2	2	2	2	0	0	0	6	4	3	4	3	5	6	6	4	5	3	4	4	2	4	2	4	2	3	4	4	2	3	4	3	6	4	4	5	4	4	3	6	2	4	2	5	2	3	6	6	1	0	2	0	2	0	0	2	2	2	1	6	2	5	2	3	0	1	4	6	1	6	3	5	3	3	4	6	5	4	4	4	4	3	1	6	4	1	5	1	3	4	7	2	4	5	6	0	3	4	6	4	4	3	3	3	3	3	4	5	5	5	4	2	4	2	3	4	4	9	2	2	2	1	1	1	3	5	3	3	3	3	1	6	2	5	3	2	2	1	2	1	0	3	1	8	3	7	2	1	2	5	4	2	2	1	1	1	1	4	6	1	3	5	4	2	1	1	2	1	3	3	5	3	2	3	9	4	6	6	7	5	2	2	4	2	4	3	0	4	5	2	4	7	8	4	6	7	2	3	5	6	2	4	4	0	3	3	4	2	5	4	4	1	4	5	6	5	3	2	4	5	1	0	2	0	5	5	2	1	2	1	3	8	3	1	3	1	1	5	4	2	7	2	5	1	4	7	10	4	6	9	4	10	7	4	7	9	9	3	1	8	7	9	8
+Fenpropimorph_isomer2	2	1	1	1	2	3	2	1	1	3	3	4	1	1	1	1	1	1	1	1	1	1	3	1	2	2	2	8	9	9	4	6	4	2	6	6	10	9	3	3	2	2	3	0	5	5	4	4	5	1	1	3	0	1	6	2	2	2	3	2	4	2	2	2	2	2	2	3	1	3	2	4	5	8	11	8	4	2	2	8	8	6	5	5	10	6	9	9	5	4	3	3	4	4	4	4	3	7	5	7	12	3	5	7	6	2	3	1	1	3	2	2	3	4	3	4	4	6	6	9	5	4	3	4	4	4	3	2	3	3	7	9	4	8	3	10	9	8	6	6	4	7	7	3	6	3	5	2	4	6	3	4	7	8	6	12	9	9	10	7	10	4	11	5	7	3	8	5	5	10	7	4	2	5	3	5	1	0	4	3	3	3	10	4	4	2	2	0	2	4	10	1	8	4	8	3	3	5	8	5	8	4	6	4	3	2	9	5	4	9	2	4	9	6	4	8	4	9	1	6	6	6	5	3	2	2	2	2	2	4	4	4	4	3	4	3	3	5	4	3	13	5	5	3	3	3	1	4	6	4	5	5	4	2	7	2	11	6	2	3	4	2	1	0	4	3	9	4	9	2	1	1	9	7	3	2	1	2	2	4	7	6	4	6	8	6	1	2	0	3	1	3	3	7	6	2	2	12	5	10	9	9	6	1	2	6	2	4	5	0	2	7	2	6	9	10	3	6	10	3	3	4	11	4	6	5	0	5	3	6	3	7	9	9	0	2	6	9	5	3	3	4	7	2	2	3	1	6	6	5	0	5	2	4	12	3	0	3	2	4	5	7	3	10	4	8	2	5	11	12	5	11	14	4	7	14	8	11	13	13	4	2	11	11	14	12
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/matches_test5_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,175 @@
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+C169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0
+C170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0
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+C172	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0
+C173	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0
+C174	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/matches_test6_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,387 @@
+	C041	C078	C115	C072	C050	C069	C108	C121	C085	C122	C114	C084	C014	C029	C006	C113	C107	C129	C037	C092	C021	C016	C109	C079	C116	C123	C135	C134	C070	C056	C062	C082	C061	C133	C087	C025	C096	C009	C075	C052	C130	C015	C060	C131	C132	C073	C090	C091	C007	C074	C104	C102	C103	C001	C042	C010	C127	C101	C004	C110	C086	C051	C002	C032	C039	C057	C105	C095	C033	C137	C138	C066	C003	C040	C011	C043	C106	C048	C128	C058	C088	C031	C100	C053	C081	C023	C099	C049	C044	C017	C064	C098	C008	C077	C119	C094	C093	C124	C083	C063	C035	C047	C024	C022	C097	C076	C030	C118	C126	C038	C080	C136	C117	C125	C112	C026	C005	C013	C034	C046	C055	C071	C036	C027	C067	C120	C111	C068	C089	C028	C045	C059	C054	C018	C012	C065	C020	C019
+Perylene_2H12	2	0	1	0	0	1	0	3	0	1	1	0	1	3	5	1	2	0	1	0	5	6	1	4	2	0	0	1	2	2	2	2	2	1	2	6	1	8	0	1	1	6	3	0	1	1	0	0	7	2	1	3	4	8	4	2	3	0	8	0	1	2	9	4	3	0	0	0	5	0	0	2	5	6	5	0	1	2	1	0	0	1	1	0	0	4	3	2	1	6	1	2	11	2	1	1	0	1	2	1	3	3	1	3	0	1	1	0	0	3	1	0	0	0	0	3	2	5	2	0	2	1	1	2	2	0	2	1	1	5	0	0	5	4	2	1	0	5
+Perylene	0	0	0	2	2	0	2	0	1	0	0	0	2	1	1	0	0	0	6	2	0	2	1	2	1	0	1	0	3	0	1	1	2	1	2	1	0	5	1	1	0	2	2	0	1	1	3	0	1	1	0	1	1	3	0	1	0	1	3	0	1	2	7	2	0	3	1	2	1	0	1	1	4	0	2	0	1	1	0	0	0	0	0	0	1	6	0	3	1	4	3	0	7	1	1	1	0	0	0	0	2	1	2	0	0	0	0	0	0	1	0	0	0	0	0	0	0	4	0	3	2	1	2	1	1	0	0	1	0	0	0	1	0	1	1	3	0	2
+Phenanthrene_2H10	3	4	1	3	0	2	0	0	1	0	1	0	4	4	1	3	1	0	4	1	3	4	1	2	1	0	0	1	1	4	1	1	1	1	1	2	1	5	3	0	0	3	1	0	1	0	1	0	0	0	1	0	0	4	1	5	0	0	6	1	2	1	9	3	0	0	2	0	1	0	0	1	6	2	1	1	0	0	0	0	0	2	0	1	2	0	0	0	0	3	1	0	4	1	0	0	0	0	0	0	1	1	2	4	0	0	0	1	0	1	0	0	1	0	0	0	10	5	2	0	2	0	0	1	0	0	0	0	0	4	0	1	0	2	1	0	0	1
+Phenanthrene	1	2	0	4	4	1	1	0	1	0	0	0	7	3	9	0	1	0	8	1	3	4	0	0	2	0	1	0	1	2	0	2	0	0	0	2	0	5	1	3	0	2	0	0	1	0	0	0	2	1	0	0	0	7	0	5	0	2	5	1	1	1	9	5	2	0	0	0	0	1	0	0	9	2	2	1	0	0	1	3	0	0	2	0	1	0	1	1	0	2	1	1	3	0	1	3	0	0	0	0	0	2	3	1	0	0	0	0	0	1	0	0	0	0	0	0	9	2	0	1	0	1	1	1	0	3	2	2	0	3	2	1	2	0	0	1	0	1
+Anthracene	1	2	0	4	5	1	3	0	1	0	0	0	7	3	9	0	1	0	8	2	3	4	1	0	1	0	1	0	1	2	1	2	0	1	0	1	0	4	2	4	0	2	0	0	1	0	0	0	2	2	0	0	0	8	0	6	0	2	7	1	1	1	9	5	3	0	0	0	0	1	0	0	11	2	2	1	1	0	1	3	0	0	2	0	1	0	0	1	0	2	2	1	4	0	1	3	0	0	0	0	0	1	3	1	0	1	0	0	0	1	0	0	0	0	0	0	11	1	0	1	0	1	1	1	0	3	2	2	1	3	2	1	2	0	0	2	0	1
+Acenaphthylene	1	3	1	3	4	2	3	0	3	0	0	0	5	2	5	0	0	0	2	2	1	4	1	0	3	0	1	0	1	0	2	0	1	1	0	4	0	5	3	2	0	1	0	0	2	0	0	0	3	2	1	0	0	9	1	5	0	2	5	1	0	1	9	3	2	1	1	1	1	1	0	1	9	3	1	0	1	0	1	2	0	0	2	0	0	0	1	1	0	1	2	1	5	0	1	2	0	0	0	1	0	2	1	1	0	1	0	0	1	2	0	0	0	0	0	0	7	3	1	1	1	1	1	1	1	4	1	2	2	4	0	0	0	2	0	2	0	2
+Acenaphthene	2	2	2	3	6	2	2	0	2	0	0	0	5	2	8	1	0	0	2	3	1	3	0	0	2	0	1	0	1	0	3	0	0	0	0	4	0	5	1	0	0	1	0	0	1	0	1	0	4	3	0	0	0	9	0	3	0	2	4	1	1	1	11	2	2	2	1	0	0	1	0	0	9	4	2	0	1	0	1	2	0	0	2	0	0	0	2	2	1	1	3	1	4	0	1	2	0	0	0	0	0	2	2	2	0	0	0	0	0	2	0	0	0	0	0	1	4	3	1	1	0	1	1	2	0	5	2	3	0	3	0	1	0	1	0	1	0	2
+Fluoranthene	1	1	0	2	4	2	0	0	2	2	1	1	8	3	5	0	1	0	5	0	5	8	0	0	0	0	0	0	3	2	1	1	1	0	1	2	0	3	0	1	2	4	0	0	1	0	2	0	3	0	1	1	0	5	0	1	0	1	9	2	0	2	10	2	1	0	2	1	0	0	1	2	5	2	3	1	0	0	0	0	0	6	0	0	0	1	0	2	0	2	2	1	6	0	0	1	0	0	0	1	3	4	4	3	0	0	0	0	0	1	0	0	0	0	0	0	9	0	0	0	0	1	0	0	2	1	0	0	1	0	2	0	0	1	1	0	0	0
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+Triphenylene	0	0	1	0	3	1	1	0	2	2	4	1	5	3	6	0	0	0	3	1	3	5	0	3	0	0	1	0	5	0	1	1	3	0	2	3	0	5	0	0	2	5	1	0	3	3	3	1	6	1	1	2	0	5	2	2	1	1	8	2	0	3	16	0	1	2	2	3	0	0	2	5	7	1	1	1	0	0	1	1	1	5	0	0	1	2	0	3	0	6	2	1	9	2	0	1	0	0	1	1	3	5	3	2	0	1	2	0	1	2	0	0	1	0	0	2	9	2	0	1	0	2	1	0	2	0	0	0	2	3	3	0	1	3	0	1	0	0
+Benzanthracene/Benzophenanthrene	0	0	1	0	3	1	1	1	2	3	4	1	5	4	5	0	1	0	2	1	3	6	0	4	1	0	1	0	6	0	2	1	2	0	3	4	0	7	0	0	1	4	1	0	2	3	2	1	6	1	0	2	0	6	2	2	1	1	11	1	0	3	19	1	1	2	1	2	1	0	1	4	6	5	3	1	0	0	1	1	1	5	2	0	1	4	0	4	0	5	2	2	11	2	1	0	0	0	1	0	4	4	4	3	0	1	2	0	1	1	0	0	1	0	0	2	7	3	0	2	1	1	1	0	3	0	0	0	3	3	3	0	2	4	0	1	0	0
+Benzofluoranthene	0	0	1	1	1	0	2	0	1	0	0	0	1	1	3	0	0	0	3	2	0	2	1	2	1	0	1	0	2	0	1	1	2	0	2	1	0	3	0	1	0	1	2	0	1	1	3	0	3	1	0	1	1	3	1	1	1	1	3	0	0	2	8	1	0	3	0	1	1	0	1	1	5	1	2	0	1	1	0	0	0	0	1	0	1	6	0	3	0	3	2	0	6	1	2	1	0	0	0	0	2	1	2	0	0	0	1	0	0	1	0	0	1	0	0	0	0	3	0	3	2	2	1	0	2	0	0	1	1	2	0	1	2	2	1	2	0	1
+Benzo(k)fluoranthene	0	0	1	2	2	0	2	0	1	0	0	0	2	1	3	0	0	0	5	2	0	2	1	2	1	0	1	0	3	0	1	1	2	0	2	1	0	4	1	1	0	2	2	0	1	1	3	0	3	1	0	1	1	2	1	1	1	1	3	0	1	2	8	2	0	3	1	2	1	0	1	1	5	0	2	0	1	1	0	0	0	0	0	0	1	7	0	3	1	4	3	0	7	1	1	1	0	0	0	0	2	1	2	0	0	0	1	0	0	1	0	0	1	0	0	0	0	4	0	3	2	2	2	1	1	0	0	1	0	2	0	1	1	1	1	3	0	2
+Benzo[e]pyrene	0	0	1	2	2	0	2	0	1	0	0	0	2	1	3	0	0	0	6	2	0	2	1	2	1	0	1	0	3	0	1	1	2	1	2	1	0	5	1	1	0	2	2	0	1	1	3	0	3	1	0	1	1	4	1	1	1	1	3	0	1	2	9	2	0	3	1	2	1	0	1	1	5	1	3	0	1	1	0	0	0	0	1	0	1	7	0	3	1	4	3	0	8	1	2	1	0	0	0	0	2	1	2	0	0	0	1	0	0	1	0	0	1	0	0	0	0	4	0	3	2	2	2	1	2	0	0	1	1	2	0	1	2	2	1	3	0	2
+Benzo(a)pyrene	0	0	1	2	2	0	2	0	1	0	0	0	2	1	4	0	0	0	6	2	0	2	1	3	1	0	1	0	3	0	1	1	2	1	2	2	0	6	1	1	0	3	2	0	1	1	3	0	4	1	0	1	1	4	1	1	1	1	4	0	1	2	9	2	0	3	1	2	1	0	1	2	5	2	3	0	1	1	0	0	0	0	1	0	1	7	0	3	1	4	4	0	8	1	2	1	0	0	0	0	2	1	2	0	0	1	1	0	0	1	0	0	0	0	0	1	0	4	0	3	2	2	2	1	2	0	0	1	1	3	1	1	2	3	1	3	0	2
+Indeno[1,2,3-cd]pyrene	1	1	1	2	3	0	0	1	1	0	1	0	2	0	6	0	0	0	3	1	0	0	1	1	0	0	0	1	0	0	1	1	0	1	1	2	1	5	0	0	0	3	1	0	1	0	1	1	4	1	1	0	3	8	1	3	2	2	5	0	1	0	9	3	0	0	1	1	1	0	0	1	6	2	3	0	0	1	0	0	0	0	1	1	0	3	0	2	1	1	2	0	5	1	1	2	0	0	1	0	1	0	1	1	2	2	1	0	0	1	2	0	0	0	0	3	3	2	1	0	2	1	0	3	2	0	1	0	0	4	0	1	2	3	0	1	2	1
+Benzo(g,h,i)perylene	0	0	1	1	4	0	0	1	1	0	1	0	2	0	5	0	0	0	5	1	1	0	1	0	0	0	0	1	0	0	1	1	0	1	0	0	1	5	1	1	0	1	1	0	1	0	0	0	2	1	1	0	1	9	1	3	0	2	5	0	1	0	7	2	0	0	1	0	1	0	0	1	6	0	1	0	0	0	0	0	0	0	0	1	0	2	1	2	1	2	1	0	5	0	1	1	0	0	1	0	0	0	0	0	2	1	0	1	0	1	2	0	0	0	0	3	3	2	1	1	0	0	0	2	0	0	1	0	0	1	1	1	1	0	0	0	1	1
+Anthanthrene	2	4	3	4	5	2	4	1	1	1	3	0	4	3	24	0	1	0	5	2	4	7	4	3	2	0	1	2	4	0	1	3	0	3	1	4	2	11	5	3	1	5	5	0	1	3	2	1	19	4	2	2	4	19	4	9	3	4	14	0	1	4	16	7	1	1	1	1	6	2	0	2	22	4	9	1	1	0	0	0	0	1	2	3	1	7	3	4	3	5	4	1	14	4	2	1	0	0	1	0	5	0	3	2	3	4	3	2	2	4	3	1	1	1	0	8	8	5	5	3	3	3	1	3	5	3	2	2	4	13	6	5	9	9	8	4	8	6
+Dibenzanthracene	0	0	1	1	4	0	2	1	2	1	0	0	3	1	3	0	0	0	5	2	3	1	1	1	0	0	1	0	2	0	2	1	1	0	1	1	1	5	1	1	0	2	0	0	1	1	1	0	1	3	1	0	1	6	0	2	0	2	5	1	2	1	9	2	1	2	1	0	3	0	1	1	9	0	1	1	1	1	1	0	1	0	0	1	0	5	0	2	2	5	3	0	6	0	1	0	0	0	1	1	1	2	1	0	2	0	0	0	0	0	2	0	0	0	0	1	2	4	0	1	0	1	0	3	0	0	0	3	0	3	0	0	0	1	1	2	1	0
+Coronene	3	1	0	1	2	3	1	1	0	0	4	0	5	2	25	0	2	0	2	1	4	3	1	0	0	1	1	1	2	1	0	2	0	0	2	4	1	3	3	3	2	3	2	0	1	0	2	1	18	1	2	1	2	14	2	4	0	1	10	2	1	1	5	6	5	3	1	1	4	1	0	0	9	3	5	0	0	2	0	3	0	1	1	3	2	6	1	1	1	5	2	1	3	4	1	2	2	0	0	0	3	0	1	1	1	2	2	1	2	3	0	2	2	1	1	3	4	2	3	0	3	3	3	0	3	4	0	1	2	7	5	3	6	12	7	5	5	7
+Dicofol	9	4	3	6	7	5	5	0	5	4	2	1	13	6	18	2	2	1	6	5	3	7	0	1	4	0	1	0	6	5	1	5	3	0	3	5	2	10	4	1	1	8	2	0	1	2	6	3	10	2	0	1	2	19	7	9	2	3	15	5	1	5	21	9	5	4	0	2	3	1	2	0	18	5	6	0	3	2	1	1	2	3	1	0	0	1	4	4	4	6	4	1	12	2	1	2	0	0	1	1	2	4	2	5	3	0	1	0	4	2	1	0	1	0	0	3	9	5	11	2	1	3	5	1	6	3	6	9	4	11	5	3	7	6	9	3	3	6
+Benzophenone	3	6	1	3	5	0	2	0	2	2	0	0	6	3	10	1	2	1	1	2	1	1	1	3	2	0	2	1	1	0	2	1	1	0	0	4	1	8	0	1	0	3	0	1	0	0	4	2	5	2	0	0	1	9	4	7	1	2	8	1	2	1	9	3	4	1	1	1	0	1	0	1	10	6	4	1	3	0	0	2	0	3	3	0	2	1	2	1	0	2	3	1	9	0	3	1	1	0	0	0	2	1	2	5	1	1	0	0	0	3	0	0	0	0	0	2	5	3	6	2	1	0	1	3	3	6	2	3	1	7	1	1	2	3	1	0	0	3
+2-tert-Butyl-4-methoxyphenol	5	5	3	4	9	2	2	0	4	1	5	2	7	7	11	1	0	0	4	3	2	6	2	2	1	0	2	2	1	1	2	1	4	1	2	1	0	5	4	5	0	5	1	1	0	0	2	3	5	2	1	1	2	12	7	18	3	1	13	2	0	3	14	4	6	1	2	1	1	0	0	2	20	5	5	1	2	0	0	2	0	1	0	1	0	5	2	2	0	2	2	0	11	2	0	3	1	0	2	1	2	0	3	9	2	1	2	1	7	0	2	0	0	0	0	2	17	5	16	1	5	2	3	5	6	6	4	6	1	10	0	2	4	1	4	1	4	4
+Butylated hydroxytoluene	8	2	1	5	6	6	4	0	3	4	0	5	12	5	10	5	3	3	3	4	7	10	2	1	2	0	2	3	7	3	3	3	7	2	2	6	3	11	4	5	0	8	2	1	1	2	1	0	3	3	0	0	1	20	6	6	1	2	16	2	4	3	13	8	8	2	1	0	0	0	0	0	21	5	8	1	1	0	0	1	0	4	0	0	2	1	3	2	1	1	3	1	10	3	0	1	0	1	0	1	1	1	2	12	0	1	0	0	3	4	4	0	0	0	0	2	20	4	12	0	0	1	3	3	2	7	3	4	2	10	0	2	2	2	3	1	2	3
+Bumetrizole	9	7	3	6	11	6	2	1	8	3	3	5	19	7	25	3	2	1	6	5	5	12	4	2	3	0	2	2	4	5	6	3	8	2	2	11	4	22	5	5	2	11	3	1	3	2	4	1	17	10	5	2	2	33	11	12	1	2	19	5	4	6	41	10	7	5	5	2	2	1	0	1	39	10	10	1	3	0	0	2	2	5	2	3	4	6	5	5	3	6	4	2	20	3	2	2	2	1	4	6	3	3	5	12	3	1	4	1	4	5	4	1	1	0	0	4	19	10	19	3	2	2	4	5	5	6	5	7	7	14	3	2	11	6	9	2	7	10
+4-Methylbenzophenone	3	5	1	3	3	1	1	0	1	1	2	0	3	4	7	0	1	0	1	2	2	2	3	2	1	0	2	0	1	2	1	1	2	2	1	2	1	4	2	4	1	0	1	0	0	2	4	2	7	2	0	1	1	7	7	11	0	0	11	1	3	2	8	2	5	1	2	0	1	1	0	0	14	3	2	1	0	0	0	2	0	3	1	0	0	4	0	1	1	4	2	1	9	0	0	0	1	0	1	0	4	1	1	3	1	0	0	0	1	2	0	1	0	0	0	2	6	3	8	1	3	1	1	3	3	4	3	2	2	9	3	2	2	2	2	0	1	5
+2,4,6-Tribromophenol	8	7	2	4	7	3	2	0	2	2	4	3	14	8	7	2	1	2	2	2	5	8	2	6	2	0	1	2	5	1	1	4	7	1	3	5	3	13	5	2	0	8	1	0	0	2	6	3	2	1	1	0	1	12	3	12	1	1	12	2	3	0	19	9	4	5	2	1	1	1	0	1	24	8	5	0	2	1	0	0	0	3	1	1	0	4	3	2	0	3	3	0	16	2	0	0	0	0	1	1	4	2	5	10	2	2	2	1	2	6	4	0	0	0	0	0	14	8	15	1	4	2	2	5	6	3	5	5	2	11	3	0	1	4	3	2	2	3
+2,6-Dichloro-4-nitroaniline	6	5	2	3	9	7	8	2	7	4	4	1	17	9	18	2	3	2	5	4	7	7	2	6	2	2	3	3	6	6	4	4	5	1	5	8	1	13	5	2	2	11	2	0	2	5	3	2	7	7	3	1	1	26	7	12	2	1	19	5	4	5	32	5	8	9	5	3	0	1	1	3	31	8	7	3	2	2	2	2	1	5	1	1	4	6	4	3	2	11	7	3	19	5	0	2	0	0	3	4	4	5	7	7	1	4	1	2	1	7	2	1	1	0	1	5	22	10	6	1	3	4	3	3	3	1	2	3	4	13	6	4	6	8	8	6	5	10
+1-Methylphenanthrene	5	2	0	3	3	5	1	0	2	2	1	0	9	1	12	0	1	0	6	2	6	5	0	1	0	0	1	2	0	7	2	1	2	0	2	0	2	6	4	3	0	3	1	0	1	2	2	1	5	3	0	1	0	9	2	3	0	0	8	1	0	2	10	2	4	0	1	1	0	1	0	1	6	3	4	1	1	1	0	2	1	5	2	1	2	1	0	0	2	5	0	0	3	2	1	3	1	0	0	1	3	1	1	3	0	0	0	0	0	1	0	0	0	0	0	4	15	4	3	0	3	2	0	3	3	3	0	3	1	5	0	1	2	1	1	1	1	4
+Triclosan	11	5	2	8	9	7	4	2	4	2	3	4	19	10	21	2	4	1	5	4	11	13	4	4	5	0	1	2	4	2	4	4	8	3	6	13	4	14	4	4	2	12	5	0	2	3	4	1	15	5	1	1	5	33	6	10	2	3	21	4	5	2	26	11	9	3	2	2	4	1	0	1	26	9	12	2	0	1	0	0	0	3	3	2	3	3	3	2	3	5	1	0	15	3	0	3	1	1	0	2	3	6	3	11	4	3	1	0	3	8	2	0	0	0	0	4	13	4	15	2	3	4	3	4	7	5	4	6	5	15	5	5	5	8	5	4	3	8
+Drometrizole	6	4	3	3	5	0	1	0	1	1	0	0	3	2	8	2	2	0	1	5	1	6	1	2	3	0	2	1	1	1	0	4	3	2	2	3	2	8	3	3	1	1	2	0	1	3	3	3	8	1	0	1	0	8	8	8	1	1	9	0	4	0	12	4	3	2	0	1	1	0	0	1	15	2	0	0	0	0	1	2	0	3	0	0	1	4	2	3	2	2	1	0	12	1	0	0	0	0	0	0	2	2	5	5	0	0	1	0	1	4	0	0	1	0	0	2	7	6	9	2	4	2	1	1	2	3	3	2	2	11	3	1	2	2	1	1	0	1
+Enzacamene	18	9	5	10	13	11	10	2	7	6	4	6	25	15	27	5	6	3	8	10	11	17	7	10	5	0	5	5	10	4	6	9	9	6	8	18	7	25	9	9	3	15	3	3	3	8	9	6	14	11	1	2	3	43	15	27	5	4	37	6	10	9	46	12	13	7	3	2	4	1	1	4	59	18	17	3	4	2	2	5	1	12	3	1	6	11	6	9	5	12	9	2	32	6	3	5	2	1	1	2	10	6	11	23	2	4	3	1	7	16	6	1	1	0	2	7	37	21	23	5	11	7	6	6	10	11	6	10	5	23	3	2	9	8	8	5	4	13
+2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	5	4	0	3	3	2	3	0	2	2	0	2	6	3	8	1	1	0	1	2	5	8	1	1	0	0	0	2	3	1	3	1	6	1	2	6	2	9	0	2	2	5	2	1	2	1	3	1	14	2	2	0	1	15	3	3	1	1	18	0	3	0	11	3	6	0	2	1	0	0	0	1	13	3	5	0	3	0	1	0	0	3	1	1	1	0	3	4	0	2	1	1	12	2	0	0	0	0	1	2	0	0	2	7	0	0	4	1	2	3	0	1	0	2	0	2	4	3	11	0	0	0	1	0	0	4	1	4	3	6	0	1	1	3	5	2	3	1
+Octrizole	2	3	1	3	2	1	1	0	2	1	0	0	1	2	3	0	0	0	2	1	0	2	2	0	1	0	0	0	1	0	0	1	1	1	1	1	0	0	2	2	0	2	2	0	1	1	3	0	0	1	0	0	0	5	4	4	1	0	5	0	0	0	2	2	2	1	0	1	0	0	0	1	5	0	1	0	0	0	0	1	0	0	0	0	1	1	0	3	1	2	2	0	4	1	0	1	0	0	0	0	2	0	1	0	0	0	0	0	1	1	0	0	0	0	0	1	3	1	3	3	1	1	2	1	0	3	1	1	1	4	1	0	1	0	3	1	1	1
+1,2,7,9-Tetrachlorodibenzofuran	5	0	4	3	6	2	3	0	1	0	4	1	7	5	17	0	1	0	1	0	2	2	0	2	1	0	2	3	2	1	2	1	1	0	0	4	1	4	3	1	0	2	1	0	0	1	2	2	5	1	0	0	1	13	4	3	2	2	4	0	0	1	10	3	2	3	1	0	0	1	0	1	9	8	3	0	0	0	0	2	1	0	2	1	0	1	3	0	0	4	2	1	8	0	1	2	0	0	1	1	1	1	3	2	0	1	1	1	2	0	1	0	1	0	1	2	5	4	4	0	2	2	0	1	2	1	2	3	2	5	4	2	3	2	5	2	2	1
+2,2',3,4,5,5',6-Heptachlorobiphenyl	3	5	2	4	3	5	7	0	3	1	3	3	6	5	18	0	3	0	1	1	1	2	2	2	1	0	0	0	3	1	1	3	3	1	0	7	0	8	2	2	0	4	1	1	0	0	1	4	11	2	1	0	1	10	5	8	2	4	11	1	2	2	12	3	4	3	0	1	1	0	0	1	12	4	3	0	1	0	0	0	0	2	0	1	0	4	3	1	1	3	5	0	11	0	0	0	0	1	0	1	2	1	3	0	0	3	0	1	2	0	2	0	0	0	0	2	6	3	4	1	1	1	1	1	5	1	4	7	3	6	8	1	1	8	7	4	2	2
+2,4,6-Trichlorobiphenyl	3	2	3	5	5	5	3	0	3	1	3	1	9	5	9	0	0	0	4	3	3	7	0	2	3	0	0	2	1	1	1	2	3	1	1	5	0	8	5	2	0	4	2	0	3	1	1	2	6	2	3	1	1	17	1	4	1	3	8	2	2	2	20	4	2	3	3	3	3	2	0	3	16	9	7	0	0	0	1	1	0	2	5	1	2	2	1	1	1	4	3	0	15	3	1	3	0	0	2	2	2	2	5	4	0	2	1	2	3	3	2	0	0	0	0	1	7	7	5	2	4	2	1	3	6	4	1	3	2	5	3	0	2	8	2	3	2	3
+2,2',3,3',4,5',6,6'-Octachlorobiphenyl	13	4	2	7	8	9	5	0	1	4	5	3	15	8	27	3	5	2	6	6	13	10	4	5	3	0	4	2	6	6	7	5	6	3	5	8	2	17	6	6	3	14	2	3	1	3	4	5	11	10	1	1	2	29	8	12	7	4	30	3	10	4	36	8	7	6	4	2	0	1	2	1	43	14	17	4	2	2	2	5	0	12	4	2	5	9	3	9	3	9	8	1	24	6	2	3	3	1	1	2	10	5	14	15	1	0	0	3	3	9	3	1	1	1	0	4	31	13	10	3	8	6	6	8	6	4	2	5	5	14	7	3	6	7	8	7	4	9
+Mirex	4	2	0	4	0	0	0	0	0	1	0	1	4	2	9	1	0	0	0	0	0	0	0	1	0	0	0	1	1	1	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	2	2	4	1	0	0	0	1	1	1	0	0	3	0	0	0	3	1	1	1	0	0	0	0	0	0	3	1	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	2	0	0	4	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	3	0	2	3	2	2	1	0	1	3	0	0	0	2
+beta-Hexachlorocyclohexane	2	4	3	6	6	4	5	0	3	2	2	2	17	5	13	0	4	0	0	1	0	6	0	3	1	0	1	1	5	1	1	3	2	0	2	6	2	11	2	2	0	0	2	0	2	2	3	2	7	1	2	0	1	20	5	6	1	2	10	0	0	3	20	3	2	1	1	1	0	0	1	2	17	4	1	1	0	0	0	0	1	3	0	1	0	0	3	0	1	4	2	0	13	1	0	0	0	1	1	1	0	1	4	2	2	1	0	1	0	2	1	0	0	0	1	1	2	3	1	0	1	2	0	2	4	1	4	5	3	8	4	1	2	3	3	0	3	2
+alpha-1,2,3,4,5,6-Hexachlorocyclohexane	3	4	3	3	6	2	4	0	3	2	1	2	15	3	12	0	3	0	0	1	0	4	1	2	1	0	1	1	4	1	0	3	2	1	2	4	2	8	2	4	0	0	2	0	2	2	3	1	5	1	2	0	1	16	5	5	1	2	9	0	0	1	15	2	3	1	1	1	0	0	1	2	15	1	1	1	0	0	0	0	1	2	0	1	0	0	3	0	1	4	1	0	11	0	0	0	0	1	1	1	0	1	3	2	1	1	0	0	1	2	1	0	0	0	1	1	3	3	2	0	2	2	0	1	5	2	4	6	4	6	4	1	2	3	3	0	2	2
+Lindane	4	5	3	4	6	2	5	0	3	2	1	2	16	3	11	0	3	0	0	1	0	3	0	4	1	0	1	1	4	1	0	3	2	0	2	4	2	9	2	3	0	0	2	1	2	2	4	2	5	1	2	0	1	17	5	5	1	2	8	0	0	2	18	2	2	1	1	1	0	0	1	2	15	3	1	0	0	0	0	0	1	2	0	1	0	0	3	0	1	4	1	0	12	1	0	0	0	1	1	1	2	1	5	3	1	1	0	0	2	2	1	0	0	0	1	1	2	3	3	0	3	2	0	1	6	2	4	6	3	7	4	0	1	3	3	0	2	3
+delta-Hexachlorocyclohexane	2	3	2	4	6	1	5	0	3	2	2	2	15	4	10	0	3	0	1	1	0	5	0	3	1	0	1	2	5	1	0	3	2	0	2	4	2	10	3	2	0	1	2	0	2	2	2	1	5	2	2	0	1	18	4	6	1	2	9	0	0	3	19	2	2	1	1	1	0	0	1	2	17	1	1	0	0	0	0	0	1	3	0	1	0	0	3	0	1	4	1	0	10	0	0	0	0	1	1	1	0	1	3	3	1	1	0	0	1	2	2	0	0	0	1	1	4	2	2	0	1	2	0	1	4	2	5	5	3	5	4	0	1	3	2	1	2	2
+epsilon-Hexachlorocyclohexane	4	5	2	4	7	1	4	0	3	2	1	2	14	3	12	0	3	0	0	1	0	4	1	3	1	0	1	1	4	1	0	3	2	1	3	4	2	9	2	5	0	0	2	1	2	2	3	3	5	1	2	0	1	17	5	4	1	2	10	0	0	2	17	2	3	1	1	1	0	0	1	2	18	2	2	1	0	0	0	0	1	2	0	1	0	0	3	0	1	4	1	0	12	0	0	0	0	1	1	1	1	1	4	4	2	1	1	0	1	2	1	0	0	0	1	1	3	2	5	0	3	2	0	0	7	3	4	5	4	7	4	1	3	3	2	0	2	3
+Pentachlorobenzene	2	3	0	4	2	0	1	0	0	1	3	1	2	3	7	0	1	0	0	0	0	0	0	2	0	0	0	1	1	0	0	1	1	0	0	0	0	3	0	1	0	0	0	1	0	0	2	2	5	1	0	0	0	3	1	1	0	0	6	0	0	1	5	0	1	1	0	0	0	0	0	0	6	3	0	0	1	0	0	0	0	3	0	0	0	0	0	0	0	1	1	0	4	1	0	0	0	0	0	0	3	0	3	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	2	0	0	1	6	0	0	2	2	2	8	0	2	3	0	1	1	2
+Hexachlorobenzene	1	2	0	3	3	1	0	0	2	1	1	1	3	4	8	0	0	0	0	1	0	1	0	0	1	0	1	1	1	0	0	0	1	0	0	0	0	2	0	1	0	0	1	1	0	0	1	1	4	0	0	0	0	4	1	1	0	1	6	0	1	0	5	1	2	1	1	1	0	1	0	0	2	2	0	0	1	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	1	0	1	1	1	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	1	0	1	0	1	0	4	1	0	0	0	2	2	1	2	4	0	1	0	3
+2,4'-Dichlorodiphenyldichloroethylene	2	1	1	6	4	3	3	3	2	1	1	0	10	2	17	0	2	0	6	1	2	5	1	1	1	0	0	0	1	3	2	3	3	2	1	7	0	5	4	4	2	6	0	0	1	0	1	4	10	4	2	1	2	14	1	5	0	3	7	2	1	1	16	5	1	4	2	3	0	0	1	2	15	3	4	2	0	1	0	0	0	2	0	2	2	2	1	2	2	2	3	0	10	1	1	3	0	0	1	1	2	3	5	0	1	2	0	2	1	5	1	0	0	0	0	0	8	3	2	1	0	1	1	2	3	2	3	2	4	6	3	2	4	6	2	5	3	5
+2,4'-Dichlorodiphenyldichloroethane	2	2	1	5	7	6	2	0	4	1	2	0	9	4	19	0	3	0	6	1	3	8	1	2	1	0	1	1	3	4	1	3	1	3	0	8	2	8	4	3	2	7	1	0	2	2	3	1	11	3	1	3	2	15	3	9	2	2	11	1	1	2	24	4	3	2	3	1	2	1	1	2	14	4	4	2	0	1	1	2	1	5	3	0	1	3	1	4	1	11	2	0	12	2	1	3	0	0	0	4	3	4	3	3	1	3	1	1	0	2	0	0	0	0	0	5	10	4	1	0	2	2	1	4	5	4	2	4	4	5	4	3	3	7	1	3	2	4
+2,4'-Dichlorodiphenyltrichloroethane	4	3	2	7	7	7	3	3	4	2	2	1	12	2	25	0	2	1	9	1	2	8	1	2	1	0	1	2	2	4	2	2	1	3	1	10	3	9	3	5	3	9	1	0	1	1	4	4	15	4	1	3	3	22	2	8	0	2	12	3	1	3	25	5	4	2	3	2	3	0	1	1	17	3	4	3	0	2	0	2	1	6	2	1	2	2	1	4	3	10	1	1	14	2	2	5	0	0	1	4	3	4	3	4	1	3	0	1	1	5	0	0	0	0	0	4	13	4	4	1	3	2	0	5	8	4	4	4	4	7	5	4	5	13	3	5	2	6
+1,2,7,9-Tetrachlorodibenzo-p-dioxin	1	1	1	3	2	4	1	0	5	2	2	2	9	3	13	0	0	0	4	4	3	3	3	4	3	0	1	2	2	2	1	1	4	1	1	6	1	12	2	1	1	1	2	0	1	1	3	0	14	4	2	2	0	13	6	5	2	1	9	4	2	4	20	6	5	3	3	1	3	2	0	2	16	4	2	0	0	0	0	1	1	2	2	0	3	6	4	2	1	5	1	0	11	1	0	2	0	1	1	2	4	2	5	4	0	0	1	0	4	4	3	1	0	0	0	3	9	5	6	2	3	3	3	3	2	3	4	4	3	12	6	2	8	10	7	2	2	8
+2,4,4'-Trichlorobiphenyl	2	1	2	5	4	4	2	0	2	1	2	0	8	5	6	0	0	0	4	3	3	6	0	1	3	0	0	1	1	1	1	1	2	0	1	3	0	6	5	2	0	3	2	0	2	0	0	1	4	1	3	1	0	13	1	3	1	3	7	2	2	1	17	3	1	2	2	3	3	1	0	3	14	6	5	0	0	0	1	1	0	1	3	1	2	2	1	1	1	4	3	0	10	2	1	3	0	0	1	2	0	2	4	3	0	1	0	1	2	3	1	0	0	0	0	1	7	7	3	1	2	1	1	2	4	4	1	2	1	3	2	0	1	3	1	2	1	2
+2,2',4,5,5'-Pentachlorobiphenyl	5	1	3	6	3	5	2	0	4	2	4	1	8	4	9	0	2	0	2	1	2	4	0	4	2	3	0	2	4	1	1	3	3	1	1	9	0	8	4	2	0	3	3	1	2	0	0	2	7	1	2	1	0	14	6	9	1	2	7	1	2	0	15	2	2	4	2	3	5	1	0	2	15	6	3	0	1	0	0	0	0	3	1	2	1	1	3	1	1	3	3	0	13	2	0	1	0	1	2	2	1	2	4	0	1	2	0	1	3	4	3	0	0	0	0	1	8	5	4	0	2	0	2	1	6	2	4	7	2	5	4	2	1	9	3	2	6	3
+2,3',4,4',5-Pentachlorobiphenyl	3	0	3	3	1	4	3	0	4	1	4	1	6	2	5	0	1	0	1	1	2	2	0	3	2	3	0	1	4	1	1	2	1	0	1	7	0	6	2	1	0	2	3	1	2	0	0	2	4	0	2	1	0	11	2	5	2	1	6	1	1	0	11	1	2	3	1	2	4	0	0	1	11	5	1	0	1	0	0	0	0	2	0	1	0	1	2	1	1	1	3	0	9	1	0	1	0	1	1	2	1	2	3	0	0	1	0	1	4	4	2	0	0	0	0	0	5	5	4	0	2	0	1	0	5	1	2	5	1	4	4	2	1	6	2	2	4	2
+2,2',3,4,4',5'-Hexachlorobiphenyl	2	0	4	5	2	5	4	0	3	1	3	1	7	4	12	0	2	0	1	2	2	2	2	2	1	3	0	1	3	1	3	3	2	1	0	6	1	9	2	1	0	3	1	1	0	0	0	2	8	3	1	1	1	13	5	10	3	1	9	1	2	1	11	1	4	4	0	1	2	0	0	0	13	6	1	0	1	0	0	0	0	2	0	1	0	3	3	0	1	0	4	0	13	0	0	1	0	1	1	1	1	1	2	0	1	1	1	1	3	2	2	0	0	0	0	0	7	4	2	1	1	1	2	2	4	0	5	7	3	4	6	1	2	5	5	2	5	3
+2,2',4,4',5,5'-Hexachlorobiphenyl	3	0	4	6	3	7	5	0	3	1	3	1	11	4	19	0	3	0	1	2	3	3	3	2	1	3	0	2	4	1	4	3	4	2	0	8	1	10	2	4	0	4	1	1	1	0	1	2	11	3	2	1	1	19	6	10	3	2	13	1	2	1	15	4	4	4	2	2	3	1	0	2	17	7	2	1	1	0	0	0	0	3	1	2	1	3	4	0	1	2	4	0	18	0	0	1	0	1	2	2	1	2	3	0	1	1	1	1	3	3	3	0	1	0	0	0	7	4	2	1	2	1	2	2	5	0	5	8	5	6	9	1	4	8	6	3	6	5
+2,2',3,4,4',5,5'-Heptachlorobiphenyl	5	2	3	4	3	6	5	0	3	1	3	2	10	6	19	0	3	0	1	1	2	2	4	2	1	0	1	2	3	1	5	2	4	2	0	7	0	11	2	1	0	3	1	1	0	0	1	3	10	4	1	0	1	11	4	7	2	3	14	1	1	2	15	2	3	4	1	1	0	1	0	0	13	6	4	1	1	0	0	0	0	5	1	1	1	3	3	0	0	4	4	0	12	0	0	0	0	1	1	2	2	1	4	1	0	0	0	1	2	0	3	0	0	0	0	1	6	3	3	1	2	1	1	2	7	0	5	7	4	4	9	1	1	8	5	2	2	3
+2,2',5,5'-Tetrachlorobiphenyl	4	1	4	4	4	8	3	0	4	2	3	1	11	4	9	0	1	0	3	2	1	6	0	2	2	0	0	2	5	1	2	2	3	0	2	6	0	8	2	3	0	2	2	1	2	1	1	2	7	1	3	1	1	18	4	4	1	4	10	3	2	3	19	3	3	5	2	3	3	1	1	2	18	6	5	0	0	0	0	1	0	4	3	2	2	1	2	0	2	4	4	0	15	4	1	3	0	1	2	2	2	2	4	1	0	1	1	2	3	4	3	0	0	0	0	2	7	8	5	1	2	2	0	1	5	3	2	3	3	5	4	1	3	9	3	2	3	5
+2,3',4,6-Tetrachlorobiphenyl	3	1	3	5	5	8	2	0	4	2	3	1	10	3	11	0	1	0	4	2	2	7	0	2	2	0	0	2	4	1	1	1	4	0	1	7	0	7	3	3	0	1	2	0	2	1	0	1	7	1	3	1	1	18	3	5	1	4	8	2	3	3	18	2	3	3	2	3	3	1	0	2	15	6	8	1	0	0	0	1	0	3	3	2	3	1	3	0	1	3	4	0	14	3	1	4	0	1	2	2	2	2	4	1	0	1	0	2	3	4	3	0	0	0	0	1	8	8	5	1	2	1	1	1	6	3	3	4	2	4	4	2	1	8	5	2	3	3
+2,3',5',6-Tetrachlorobiphenyl	1	1	4	4	2	6	3	0	3	2	3	1	6	2	5	0	0	0	3	1	0	4	0	2	2	0	0	1	2	1	2	1	3	0	1	5	0	6	2	2	0	0	2	1	1	1	0	2	5	0	2	1	0	13	2	4	1	2	8	2	1	2	14	1	2	3	1	3	3	0	0	2	12	5	4	0	0	0	0	1	0	3	2	2	0	0	1	0	2	2	3	0	15	2	1	3	0	1	1	2	1	2	4	0	0	1	1	1	3	4	2	0	0	0	0	1	7	6	4	1	2	2	0	1	5	3	2	3	1	5	3	1	2	7	1	2	2	2
+2,2',3,4',5-Pentachlorobiphenyl	4	1	3	7	4	5	4	0	4	2	4	1	11	6	11	0	2	0	2	2	2	4	0	4	2	3	0	2	4	1	1	3	2	1	1	9	0	9	3	3	0	6	3	1	2	0	0	2	7	1	2	1	1	16	7	9	2	4	9	2	2	1	16	3	3	4	2	3	5	1	0	2	17	6	3	0	1	0	0	0	0	4	2	2	1	2	4	1	1	3	3	0	14	3	0	1	0	1	2	2	1	2	4	0	1	2	0	1	4	4	3	0	0	0	1	2	7	7	4	0	2	0	1	2	6	2	4	7	2	5	5	2	3	10	3	2	7	5
+2,3,3',4,5-Pentachlorobiphenyl	3	1	3	4	2	4	3	0	4	1	4	1	6	3	5	0	0	0	2	1	2	3	0	3	2	3	0	1	4	1	1	1	1	0	1	7	0	6	2	1	0	3	3	1	2	0	0	1	5	1	2	0	0	12	1	6	2	2	5	1	1	0	12	1	2	3	1	2	3	0	0	1	11	5	1	0	1	0	0	0	0	1	0	1	1	1	2	1	1	1	3	0	8	1	0	1	0	1	1	2	1	2	3	0	0	1	0	1	4	4	2	0	0	0	0	0	5	5	4	0	2	0	1	0	4	2	3	4	1	4	4	2	1	7	2	2	5	3
+3,3',4,5,5'-Pentachlorobiphenyl	4	0	3	3	1	4	3	0	4	1	4	1	6	2	5	0	2	0	1	1	2	2	0	3	2	3	0	1	4	1	1	3	1	0	1	7	0	7	2	2	0	2	3	1	2	0	0	2	4	0	2	1	0	12	3	5	2	1	9	1	1	1	12	1	2	4	1	2	4	0	0	2	13	5	2	0	1	0	0	0	0	3	0	2	0	1	2	1	1	1	3	0	10	1	0	1	0	1	1	2	1	2	4	0	0	1	0	1	4	4	2	0	0	0	0	0	5	5	4	0	2	0	1	1	5	1	2	5	2	4	4	2	1	6	2	2	5	2
+2,3',4,4',5',6-Hexachlorobiphenyl	3	0	3	5	3	6	4	0	3	1	3	1	8	4	12	0	3	0	1	2	2	3	2	2	1	2	0	1	3	1	2	3	3	1	0	8	0	9	2	3	0	3	1	1	1	0	0	2	6	2	2	1	1	14	5	7	2	2	9	0	2	2	12	3	3	4	2	2	3	1	0	2	13	6	3	0	1	0	0	0	0	2	1	2	0	3	4	0	1	0	4	0	12	0	0	1	0	1	2	2	1	2	3	0	0	0	0	1	3	3	3	0	0	0	0	0	6	4	2	1	1	0	2	1	5	0	4	7	4	3	6	1	2	6	4	1	4	3
+2,3,3',4,5,6-Hexachlorobiphenyl	3	1	2	4	4	6	4	0	2	1	3	2	10	4	15	0	3	0	1	2	2	2	1	1	1	3	0	2	4	1	3	3	3	1	0	6	0	8	1	0	0	3	1	1	1	0	0	2	9	3	2	1	0	15	4	8	2	3	9	1	1	1	12	2	2	3	2	2	2	1	0	1	10	5	1	1	1	0	0	0	0	4	1	1	1	2	3	0	1	1	4	0	11	0	0	0	0	1	1	3	1	2	2	0	1	0	0	1	2	3	3	0	0	0	0	1	5	4	2	0	2	0	2	2	3	1	5	7	3	3	5	1	1	9	4	3	6	3
+2,3,3',4',5',6-Hexachlorobiphenyl	4	0	3	5	4	7	4	0	3	1	3	1	10	4	15	0	3	0	1	2	2	3	2	2	1	2	0	1	3	1	4	3	3	2	0	8	0	10	1	3	0	3	1	1	1	0	0	2	7	3	2	1	1	15	5	7	2	2	11	1	2	1	12	3	3	4	2	2	3	1	0	2	13	6	3	1	1	0	0	0	0	3	1	2	0	2	4	0	1	1	4	0	12	0	0	1	0	1	2	3	1	2	3	0	0	0	0	1	3	3	3	0	0	0	0	0	5	4	3	1	2	0	2	1	4	0	4	7	4	3	7	1	2	7	5	2	4	3
+2,3,3',4',5,6-Hexachlorobiphenyl	3	0	3	1	2	6	4	0	3	1	3	1	7	2	9	0	2	0	0	2	2	1	2	1	1	1	0	0	2	1	4	2	0	1	0	7	0	8	0	2	0	2	1	1	0	0	0	2	6	2	1	1	1	9	3	4	2	2	9	1	1	2	9	1	2	4	0	1	2	0	0	1	8	4	2	1	1	0	0	0	0	3	0	2	0	3	3	0	1	1	3	0	9	0	0	0	0	1	0	1	1	1	3	0	0	0	0	1	2	1	2	0	0	0	0	0	3	4	1	1	2	0	1	1	3	0	2	4	2	1	4	1	2	5	2	1	3	3
+2,3,3',4',5,5',6-Heptachlorobiphenyl	3	2	3	5	3	6	5	0	3	1	3	2	8	6	16	0	3	0	1	1	2	2	3	2	1	0	0	2	2	1	6	2	5	2	0	7	0	9	1	1	0	3	1	1	0	0	1	3	10	4	1	0	1	12	4	5	2	2	11	1	0	2	12	3	3	4	1	1	0	1	0	0	13	5	2	1	1	0	0	0	0	5	1	1	0	3	3	0	0	3	4	0	12	1	0	0	0	1	1	2	2	1	3	0	0	0	0	1	2	0	3	0	0	0	0	1	4	3	4	1	2	1	2	1	6	0	4	7	4	4	10	1	0	8	3	3	2	3
+cis-Prallethrin	7	8	2	5	8	4	7	0	3	3	3	1	9	5	12	1	2	0	4	4	3	9	1	2	2	0	2	2	4	1	0	5	3	1	3	5	3	6	3	5	0	4	1	0	0	1	3	3	8	3	0	0	1	13	7	11	1	3	14	2	3	1	18	8	6	2	1	0	4	1	0	0	19	4	7	1	2	1	1	2	0	1	2	1	2	3	4	1	2	3	3	1	11	1	1	2	0	0	1	0	4	2	5	6	1	1	1	1	6	3	2	0	0	0	1	2	9	11	16	0	5	1	3	3	4	7	5	4	4	16	1	1	5	5	7	2	4	8
+trans-Prallethrin	9	7	2	5	8	3	6	1	3	4	5	2	10	7	16	1	0	0	5	3	3	9	2	4	1	1	1	2	4	1	1	3	3	2	3	8	2	8	4	5	1	10	2	1	1	3	7	3	12	5	1	1	0	20	6	12	3	3	15	2	2	3	22	5	8	3	3	0	5	0	0	1	23	5	6	0	2	0	1	2	2	3	2	1	0	4	5	2	3	3	5	2	15	1	1	4	0	0	1	1	4	3	5	8	2	5	1	0	7	5	2	1	0	0	1	4	11	11	18	0	6	2	6	7	6	7	6	6	2	17	2	0	6	9	9	2	3	11
+cis-Resmethrin	11	7	6	4	11	4	5	1	7	6	3	4	20	8	20	3	6	3	3	6	9	9	3	7	4	0	6	3	7	3	5	5	9	3	4	11	5	21	2	4	0	8	3	3	1	3	7	3	13	6	2	1	1	22	10	10	4	2	26	2	3	5	31	7	10	7	4	2	4	2	0	3	34	14	11	0	2	1	0	3	1	7	5	2	2	4	5	1	5	5	6	1	19	4	3	3	0	1	2	6	4	5	6	17	1	1	1	2	4	6	4	0	0	0	1	2	13	20	17	0	5	3	3	9	6	8	2	5	5	16	0	3	7	9	9	3	2	6
+trans-Resmethrin	10	7	3	3	9	5	6	0	6	5	3	5	15	6	14	3	3	3	3	7	8	9	2	5	3	0	4	2	6	1	4	3	7	3	3	8	5	15	4	4	0	7	1	2	1	3	5	3	7	6	0	1	1	19	8	12	3	2	23	1	2	3	23	7	7	2	0	0	2	1	0	1	28	10	8	0	2	1	0	3	1	5	3	0	1	3	4	1	3	3	5	1	15	4	2	3	0	1	1	2	4	3	6	18	1	2	1	2	5	4	3	0	0	0	1	1	15	14	17	1	6	3	3	6	5	7	3	7	2	16	0	1	3	5	5	2	1	4
+cis-Tetramethrin	5	5	2	3	5	1	2	1	2	3	3	1	3	2	16	1	0	0	0	1	0	1	1	4	0	0	1	1	2	2	1	2	2	2	0	8	3	5	1	4	1	3	1	0	0	0	3	2	9	2	0	0	2	11	5	8	2	0	7	1	3	3	14	5	5	3	1	2	3	0	0	1	13	5	3	0	2	1	0	1	1	0	1	1	1	2	5	3	3	1	4	1	8	2	0	2	0	0	1	1	2	2	6	1	0	4	1	1	3	5	0	0	0	0	0	2	7	3	10	0	5	1	2	4	5	5	4	4	1	11	2	2	6	8	5	1	2	6
+trans-Tetramethrin	4	5	0	3	5	1	1	0	1	0	2	0	2	2	5	0	0	0	0	1	0	1	1	1	0	0	0	1	0	1	1	2	1	1	1	0	2	1	3	4	0	0	0	0	0	0	2	3	0	1	0	0	1	5	7	8	0	1	6	0	1	1	7	3	3	0	1	0	0	0	0	0	10	1	1	0	2	0	0	0	0	1	0	0	0	1	2	2	0	1	1	0	4	0	0	2	0	0	1	0	1	0	4	3	1	0	1	1	2	1	0	0	0	0	0	2	10	3	8	0	3	0	2	2	4	5	3	3	1	4	0	3	2	0	2	0	0	3
+Bifenthrin	2	1	1	1	4	1	2	0	3	1	0	0	4	1	6	0	2	0	3	2	2	2	2	1	1	0	3	0	1	2	1	2	2	1	2	3	2	4	1	2	0	0	0	0	1	2	1	2	2	3	0	1	1	9	4	4	0	1	7	0	2	3	10	4	4	0	1	0	0	1	0	0	13	3	2	1	0	0	2	3	1	2	1	0	1	2	3	1	1	5	3	1	5	0	0	0	1	0	0	1	0	2	4	4	1	0	0	0	0	1	0	0	0	0	1	2	7	4	4	1	1	1	1	1	1	3	1	3	1	5	2	1	0	0	0	1	0	2
+Fenpropathrin	9	7	5	6	11	1	4	3	3	3	1	2	10	5	27	1	5	1	7	6	10	6	2	6	4	0	2	1	2	2	4	3	5	2	6	10	1	13	3	6	1	9	1	2	1	2	4	5	13	8	1	0	3	24	9	7	3	2	18	1	8	3	26	7	8	3	3	0	2	2	0	1	36	11	13	2	2	3	2	3	1	6	4	2	4	6	5	4	4	6	7	2	18	2	2	5	2	0	2	3	6	7	7	10	2	3	2	0	4	4	1	0	0	0	2	5	6	13	12	2	6	3	2	6	5	7	1	7	2	16	4	4	7	8	7	3	1	5
+cis-Phenothrin	10	7	4	4	10	3	5	0	5	3	1	3	17	5	20	1	3	1	2	6	5	5	3	6	4	0	4	3	6	4	3	5	9	2	5	6	5	15	2	6	0	5	3	1	1	2	6	4	9	6	0	1	2	21	11	10	1	3	20	1	5	4	25	8	7	3	2	3	2	2	0	0	31	10	6	3	1	0	1	2	1	4	2	1	1	6	6	3	4	8	4	1	17	4	0	1	1	0	2	4	4	5	6	13	2	0	1	1	5	6	1	0	0	0	1	3	11	13	19	2	6	1	4	4	5	7	3	6	3	16	1	3	7	4	8	2	2	5
+trans-Phenothrin	9	7	4	3	11	2	4	0	3	4	1	1	13	3	16	1	3	1	2	7	3	4	4	6	4	0	3	2	5	1	4	4	8	3	5	9	4	13	3	5	0	5	2	1	1	2	4	4	7	5	1	1	1	19	13	11	1	2	19	3	5	4	22	6	6	3	2	1	1	2	0	1	28	9	5	3	1	0	1	2	1	5	2	0	1	8	5	3	2	7	5	1	17	1	0	1	1	0	2	3	3	5	5	11	2	2	2	1	4	4	3	0	0	0	1	2	13	11	14	2	5	2	4	3	5	6	2	5	3	20	2	3	4	4	6	2	1	5
+cis-Cyphenothrin	9	8	2	5	12	1	6	2	2	3	1	1	12	6	27	1	4	1	6	7	8	6	2	6	4	0	2	1	2	2	4	3	8	1	4	6	2	11	5	6	1	7	1	0	1	2	6	5	11	7	1	0	1	21	10	13	0	2	20	1	7	1	30	7	6	4	2	2	1	2	0	1	37	9	8	2	3	2	2	3	1	6	3	3	3	7	3	5	3	7	4	2	20	2	1	3	1	0	2	2	6	5	7	10	2	2	1	1	4	5	2	0	0	0	1	4	11	14	15	2	5	2	4	5	5	8	2	7	3	16	4	4	6	8	6	4	2	6
+trans-Cyphenothrin	9	8	3	4	11	1	5	1	4	2	2	1	14	5	21	1	2	0	5	6	9	5	2	6	2	0	2	1	2	2	1	3	7	1	5	6	2	8	4	4	0	6	1	0	1	3	6	5	9	5	1	0	1	19	10	9	0	3	15	1	7	2	25	7	5	3	1	1	1	2	0	0	33	11	8	1	3	1	2	3	1	6	4	2	3	6	5	5	3	8	4	2	13	1	2	2	1	0	2	2	6	5	7	8	2	1	1	1	4	2	2	0	0	0	2	3	9	13	14	2	4	2	4	4	6	8	2	7	5	14	4	2	5	5	5	4	1	3
+Flucythrinate_isomer1	12	5	5	6	10	3	5	2	4	5	3	2	17	7	30	2	5	1	6	6	8	9	3	7	3	0	2	3	8	3	5	4	7	3	4	11	5	11	4	4	3	11	2	2	1	3	6	3	12	7	0	1	1	27	12	12	3	2	25	5	7	4	28	7	9	3	2	1	0	1	1	1	40	10	5	3	2	1	1	3	1	9	2	2	4	6	6	6	2	8	6	2	21	3	2	2	1	0	1	2	5	4	6	15	1	2	1	0	5	7	2	0	0	0	2	3	16	11	16	2	3	3	4	1	6	9	5	8	3	19	5	2	6	7	6	3	1	5
+Flucythrinate_isomer2	7	4	4	6	8	2	5	2	1	2	2	2	12	3	27	2	4	0	4	6	5	4	3	6	3	0	2	2	5	1	4	4	6	2	3	12	5	10	2	2	2	7	2	2	0	1	6	3	16	5	0	2	2	21	9	8	3	3	20	4	7	4	18	7	5	3	2	2	3	1	1	2	28	9	5	3	2	1	1	3	0	5	2	1	3	5	5	3	2	9	5	2	20	4	2	1	1	0	0	0	4	3	3	10	1	2	1	0	2	6	1	0	0	0	1	2	12	10	12	2	3	1	4	1	4	7	2	5	2	18	3	1	6	10	5	4	2	5
+cis-Fenvalerate	9	6	4	6	9	2	6	1	4	3	1	2	13	7	27	2	3	1	5	7	9	5	2	5	2	0	3	3	5	1	4	3	7	1	3	8	4	11	2	4	0	7	2	0	2	2	4	4	12	6	0	0	1	20	9	8	1	3	18	1	5	3	29	5	8	2	2	1	0	1	0	0	33	11	8	2	3	2	2	3	1	7	3	1	2	8	4	5	3	6	6	2	19	3	2	1	1	0	0	2	4	4	5	11	2	0	1	0	1	7	0	0	0	0	2	3	5	9	11	2	1	3	2	2	3	9	2	5	3	19	4	2	6	9	4	4	0	3
+trans-Fenvalerate	10	6	3	5	11	3	5	1	7	3	3	2	17	8	32	1	3	0	4	8	9	9	3	7	3	0	4	2	6	1	3	7	5	2	5	12	3	15	6	4	0	6	2	0	2	2	5	6	18	7	0	2	2	24	10	10	1	2	22	1	7	3	32	8	9	4	2	3	2	1	0	1	37	12	11	2	2	2	2	4	2	6	3	0	3	10	6	6	3	9	7	2	18	3	2	1	1	0	0	2	6	5	7	12	3	2	2	1	5	5	0	0	1	0	1	4	10	9	16	2	5	3	5	3	6	9	4	7	7	23	4	4	10	10	5	7	5	8
+Deltamethrin	10	6	3	8	9	5	6	0	7	4	3	1	18	10	44	1	4	2	5	4	9	14	5	5	3	5	3	3	6	3	1	6	4	2	3	13	5	17	7	8	0	8	8	0	4	3	4	4	35	7	2	2	7	35	12	16	5	4	29	5	5	5	33	16	7	6	1	2	10	3	0	2	36	12	15	3	2	2	1	4	2	3	4	4	3	8	4	8	3	10	3	4	25	8	4	2	1	0	3	4	7	4	7	8	3	1	1	2	6	8	2	0	2	1	2	6	13	11	16	4	5	4	9	3	6	8	6	9	11	22	12	7	16	20	16	14	16	16
+Chlorpyrifos oxon	1	4	1	4	8	4	2	1	1	1	2	1	11	3	32	1	1	1	3	1	4	4	2	2	1	0	0	3	1	2	2	1	4	1	2	6	0	3	0	4	2	2	1	1	1	4	1	1	18	3	1	1	0	16	6	4	1	1	11	1	0	1	16	5	4	1	2	2	0	1	0	4	11	5	3	0	0	0	1	1	0	1	1	1	0	2	2	1	0	3	0	1	11	3	0	0	0	0	1	1	1	5	4	4	1	1	2	0	2	1	1	0	1	0	0	5	6	1	10	0	1	1	1	0	5	3	1	4	7	6	11	1	5	6	3	0	1	5
+lambda-Cyhalothrin	6	4	3	5	8	1	2	1	3	1	1	1	9	5	20	3	3	0	4	3	6	2	2	4	2	0	2	0	2	0	2	2	5	1	3	6	1	4	1	5	1	5	1	1	1	2	3	3	11	4	0	1	1	13	7	3	1	2	10	2	7	3	12	5	8	2	0	0	0	1	1	0	25	9	5	2	0	1	2	3	1	4	2	0	4	5	4	4	2	6	4	2	13	3	1	2	1	0	0	1	6	3	4	9	1	0	1	1	2	1	0	0	0	0	1	3	5	8	8	2	3	3	3	0	5	4	0	5	2	15	5	3	4	3	3	3	1	3
+Tefluthrin	3	1	1	3	3	3	0	0	3	2	0	2	8	4	9	3	4	2	3	1	0	4	2	1	2	0	1	2	4	3	3	1	3	2	2	5	2	7	1	4	1	6	2	1	0	1	1	0	5	3	0	1	0	14	5	3	0	0	13	2	2	3	9	5	4	0	1	0	0	0	1	0	13	3	4	1	1	0	0	0	0	4	0	0	1	3	2	2	0	2	4	0	8	3	0	1	0	0	0	0	1	0	3	5	1	0	0	0	2	2	1	0	0	0	1	1	5	2	4	0	1	0	3	0	4	3	1	3	1	6	4	3	2	2	1	1	1	3
+Transfluthrin	5	5	2	6	7	4	2	1	2	2	1	2	14	6	14	3	5	2	2	4	4	8	1	3	3	0	4	3	8	6	1	3	5	1	4	8	3	14	4	5	0	4	3	0	2	2	2	2	9	2	1	1	1	17	4	8	0	1	17	0	3	3	22	5	8	2	3	1	2	0	1	1	24	9	10	1	0	0	0	2	0	4	1	0	2	3	2	2	1	4	4	1	19	2	0	0	0	0	1	1	3	1	5	6	2	1	1	0	2	4	1	0	0	0	1	1	7	6	10	1	4	1	0	1	6	4	3	4	4	12	1	2	3	3	3	2	3	3
+cis-Permethrin	4	4	4	2	6	1	2	0	3	2	0	2	9	2	14	2	4	0	2	4	4	5	4	1	2	0	4	1	3	2	2	3	3	2	2	7	2	7	2	4	0	1	2	1	1	2	2	2	8	4	0	1	1	14	6	5	1	1	13	1	4	2	17	5	9	1	1	0	0	1	0	0	20	4	6	3	0	0	1	3	1	5	2	1	1	3	4	3	2	4	3	1	11	0	0	0	1	0	0	1	1	4	3	7	1	0	2	0	0	5	0	0	0	0	1	2	6	8	6	3	2	2	0	2	2	3	2	3	2	14	0	2	3	3	4	0	0	2
+trans-Permethrin	7	4	2	3	7	1	2	0	3	2	1	1	11	3	12	2	4	0	2	4	4	5	4	4	3	0	4	1	4	2	2	4	4	2	3	7	2	8	2	4	0	2	2	1	1	3	2	3	7	4	0	1	1	14	4	5	0	1	14	1	4	2	18	5	8	1	1	0	1	1	0	0	24	8	5	3	0	0	1	3	1	5	1	1	1	2	4	3	2	4	4	1	16	0	0	0	1	0	0	1	3	4	5	9	1	0	1	0	2	6	0	0	0	0	1	2	8	8	10	3	5	1	0	1	5	4	2	5	3	15	0	2	2	4	3	0	1	3
+cis-Allethrin	5	7	2	4	7	2	5	1	3	2	4	1	10	5	13	1	1	1	3	1	1	4	1	4	1	1	1	3	2	1	0	4	3	1	1	5	2	8	4	5	0	5	2	0	0	1	6	3	5	1	1	0	1	12	8	12	1	3	12	2	2	1	19	7	3	1	2	1	3	1	0	1	19	6	7	1	3	0	1	1	0	2	2	1	2	3	3	1	0	2	2	2	12	1	1	3	0	0	2	1	3	0	3	5	1	0	1	1	5	3	3	0	0	0	1	1	14	10	16	1	5	1	4	6	6	3	5	6	4	11	1	2	6	6	6	3	5	6
+trans-Allethrin	6	7	1	3	9	2	4	0	2	3	4	1	6	3	14	0	0	0	1	2	1	5	1	4	1	0	1	1	1	1	1	3	2	1	3	3	1	7	3	4	0	3	0	1	0	2	6	3	6	2	1	0	1	12	6	11	1	2	13	2	2	1	15	5	4	1	2	1	4	0	0	2	20	4	6	0	2	0	1	1	1	2	0	2	0	3	3	3	3	3	5	1	11	1	0	2	1	0	1	1	4	1	6	3	1	1	1	1	4	2	2	0	0	0	0	4	11	9	16	0	4	1	2	7	4	6	5	6	2	12	1	3	4	6	6	3	4	5
+cis-Cypermethrin_isomer1	9	9	5	5	10	4	5	1	4	3	2	4	16	7	30	1	5	1	4	5	7	8	3	5	5	0	3	2	4	4	3	5	8	1	3	7	5	14	4	6	0	5	3	1	2	2	6	4	19	6	2	1	3	26	12	10	1	1	24	1	6	4	27	13	9	5	5	3	6	2	0	1	40	10	11	1	3	3	1	3	0	5	4	1	2	7	4	4	4	6	5	1	22	6	2	2	1	0	2	2	6	3	5	10	2	0	2	1	4	6	2	1	0	0	2	2	9	12	16	2	3	2	4	5	7	9	3	4	6	21	5	3	9	15	9	4	0	9
+trans-Cypermethrin_isomer1	10	7	2	7	12	3	2	2	3	4	1	1	15	5	27	1	5	1	6	5	8	5	3	5	4	0	2	3	4	5	2	4	5	1	3	8	4	15	3	6	0	6	3	0	2	3	3	4	14	4	0	0	3	23	9	7	1	3	18	2	7	3	28	9	9	3	2	0	4	2	0	2	33	12	11	1	0	2	2	3	1	4	4	3	3	4	5	3	3	6	5	2	23	2	2	1	1	0	1	2	5	5	6	10	2	1	1	1	3	3	1	0	0	0	1	5	6	10	14	2	3	3	2	2	6	8	3	7	4	18	3	3	5	9	5	3	2	5
+cis-Cypermethrin_isomer2	7	5	2	4	10	3	6	2	3	3	4	0	15	6	28	2	3	1	3	3	7	10	3	6	3	1	4	3	7	4	3	2	3	2	4	11	3	13	5	7	1	5	3	0	2	4	2	4	22	6	3	2	4	23	9	9	2	2	21	2	5	6	29	9	9	4	2	1	8	1	0	1	35	11	13	3	1	2	2	3	1	7	2	4	3	8	7	6	5	10	6	3	18	4	2	1	1	0	2	2	6	5	9	11	3	3	1	1	7	4	1	2	0	0	1	5	8	12	16	3	6	2	4	3	8	5	4	7	7	17	5	3	12	16	8	6	8	16
+trans-Cypermethrin_isomer2	15	9	5	10	17	6	7	1	9	7	4	3	24	13	45	4	6	2	7	5	12	13	4	6	4	2	2	2	9	5	6	7	8	4	5	14	6	22	9	5	3	15	4	2	3	6	9	6	35	10	1	2	5	40	16	19	3	3	38	7	6	7	47	14	13	5	1	2	7	1	1	2	48	12	10	3	3	1	2	3	1	11	2	0	4	7	8	6	4	11	7	4	32	8	2	2	1	0	0	2	8	7	9	22	5	0	2	2	9	8	1	0	2	0	2	5	22	17	22	2	7	6	9	7	9	10	6	12	8	26	9	5	14	18	15	10	11	18
+cis-Cyfluthrin_isomer1	6	4	2	7	8	3	3	1	5	1	4	2	10	6	24	2	4	1	6	3	8	8	2	4	2	0	1	1	4	4	3	3	4	2	5	3	3	12	7	6	2	8	2	1	2	5	3	2	18	4	0	2	0	22	5	11	1	4	23	2	4	4	27	7	9	3	2	1	1	1	1	3	24	7	8	2	3	1	0	2	1	7	3	2	4	4	4	5	2	8	7	0	17	3	3	2	0	0	1	1	5	3	6	5	0	4	0	0	3	4	0	0	0	1	1	4	15	8	7	2	6	1	1	2	6	6	2	8	4	10	3	2	7	11	7	4	2	6
+trans-Cyfluthrin_isomer1	6	5	3	7	10	3	4	1	4	3	5	2	12	9	33	2	6	1	5	4	7	12	2	6	3	0	3	2	5	4	3	3	6	1	5	12	5	14	6	8	2	10	2	1	4	5	5	4	20	5	1	3	1	21	8	8	5	4	23	2	5	5	33	6	11	3	3	4	2	0	1	5	34	8	10	3	1	1	1	3	2	9	1	1	3	8	5	7	2	11	7	1	25	4	2	2	1	0	1	3	7	2	8	7	2	2	2	0	4	7	1	0	0	0	2	5	19	11	15	3	6	3	3	2	8	7	5	7	5	16	4	3	9	10	6	4	4	8
+cis-Cyfluthrin_isomer2	7	2	3	6	8	5	6	1	7	2	7	3	13	8	31	2	6	1	5	3	9	11	3	4	2	2	2	1	2	3	3	2	4	2	3	8	2	14	5	5	1	12	2	1	1	3	4	3	20	6	1	1	2	30	4	11	4	4	23	4	6	7	29	5	10	4	2	2	4	2	0	4	32	6	11	2	2	3	1	1	2	5	3	2	3	5	5	3	4	7	3	0	15	7	1	4	1	0	1	2	5	3	6	10	3	4	0	0	5	3	1	1	0	1	2	5	14	12	11	1	5	4	6	4	6	5	4	9	4	14	4	4	11	18	11	5	8	11
+trans-Cyfluthrin_Isomer2	8	4	2	5	9	8	6	2	6	6	6	3	13	7	40	1	7	1	5	5	9	10	2	3	2	1	3	2	6	3	3	3	5	1	8	10	6	12	7	6	2	12	4	3	2	4	4	5	28	8	2	3	3	28	7	12	4	3	24	5	3	4	36	8	10	3	3	3	5	2	1	2	37	10	14	2	3	2	1	3	1	10	3	4	3	6	6	9	3	11	6	2	20	8	3	3	2	1	2	0	4	4	9	11	4	3	1	1	4	9	2	0	0	0	2	8	17	8	15	1	3	1	5	4	7	7	7	9	8	21	8	3	12	16	10	8	10	13
+1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin	1	2	2	2	2	1	0	0	1	0	2	0	6	4	16	1	1	0	1	0	2	2	0	3	0	0	0	2	2	1	0	0	2	0	0	4	0	6	0	1	0	0	1	1	1	0	2	1	12	1	1	0	0	6	0	2	1	1	6	0	0	3	11	1	1	1	2	1	0	1	0	1	8	4	2	0	1	0	0	0	0	2	1	1	1	0	1	0	0	3	0	0	7	1	0	0	0	0	1	1	4	1	3	1	0	0	0	0	1	1	1	0	0	0	0	0	0	3	1	0	2	0	0	1	3	0	1	2	2	7	4	0	2	7	2	1	2	2
+1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin	2	2	2	2	3	0	0	0	1	1	2	1	8	6	13	1	1	0	0	0	1	1	0	1	0	0	0	2	2	3	1	0	1	1	0	3	0	6	1	1	0	0	1	2	0	0	2	2	8	2	0	0	0	6	0	1	1	0	9	0	0	2	9	3	3	2	1	0	0	1	0	0	7	5	2	1	1	0	0	0	0	4	1	0	0	0	2	0	0	4	1	0	7	0	0	0	0	0	1	3	3	1	2	1	0	0	0	1	0	0	1	0	0	0	0	0	0	3	1	0	2	0	1	1	2	0	2	2	2	3	5	0	3	6	3	1	1	4
+Octachlorodibenzo-p-dioxin	1	1	0	2	2	1	1	0	0	0	0	1	4	3	16	1	0	0	0	0	1	1	0	0	0	0	0	2	1	0	0	0	1	0	0	2	0	1	0	1	0	0	0	0	0	0	1	1	10	1	0	0	1	5	0	0	0	0	4	0	0	1	6	3	1	1	1	0	2	1	0	0	2	2	2	0	0	1	0	0	0	1	1	0	1	0	0	0	1	0	1	0	2	1	0	0	0	0	1	1	2	0	1	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	1	1	0	0	1	0	0	0	2	6	3	0	2	9	2	2	1	3
+Octachlorodibenzofuran	0	0	1	1	1	2	2	0	1	0	2	0	3	4	6	0	1	0	2	0	1	3	0	0	0	0	0	0	2	1	0	1	0	0	0	2	0	1	0	0	0	2	1	0	0	0	0	0	6	3	0	0	0	4	1	1	2	0	4	0	0	1	4	2	1	1	0	0	1	0	0	0	3	2	1	0	0	0	0	1	0	0	1	0	0	0	1	0	1	1	2	0	5	0	1	1	0	0	0	1	1	0	0	0	1	0	0	0	1	0	1	0	0	0	0	1	1	3	1	0	0	0	0	0	0	1	2	0	1	3	5	0	1	3	3	0	1	0
+1,2,3,7,8-Pentachlorodibenzofuran	1	0	2	4	3	3	3	0	1	0	0	0	4	7	10	0	1	0	0	0	0	2	0	0	1	0	0	1	1	1	2	1	1	0	0	3	0	4	1	1	0	3	1	1	0	0	0	1	2	1	0	0	0	6	3	2	2	1	5	0	0	1	5	4	0	1	1	0	0	1	0	0	3	3	1	0	0	1	0	0	0	2	1	0	0	0	2	0	1	1	0	0	5	0	0	0	0	0	1	1	0	2	0	1	0	0	0	0	1	0	1	0	0	0	1	0	1	3	2	0	0	0	0	1	1	0	1	3	0	2	2	0	3	3	3	2	1	1
+1,2,3,4,7,8-Hexachlorodibenzofuran	3	0	1	4	0	1	3	0	2	0	0	0	3	6	4	0	1	0	1	0	1	1	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0	2	1	0	0	4	1	1	0	0	0	1	2	1	0	0	0	5	2	2	2	2	3	0	0	1	5	1	0	1	0	0	0	0	0	0	4	1	1	0	0	0	0	0	1	2	0	0	0	0	1	0	0	3	0	0	7	0	0	0	0	0	0	1	1	1	0	0	2	0	0	0	1	0	0	0	0	0	1	1	1	3	1	0	0	0	0	1	0	0	1	0	0	3	1	0	1	3	3	0	2	0
+1,2,3,4,6,7,8-Heptachlorodibenzofuran	2	0	2	3	1	2	3	0	1	0	1	0	4	8	5	1	2	0	1	1	1	3	0	0	0	0	0	0	2	2	1	1	0	0	0	3	0	2	0	1	0	2	1	1	0	0	0	1	6	2	0	0	0	3	2	2	2	1	7	0	0	2	5	3	1	2	0	0	1	0	0	0	5	2	1	0	0	0	0	0	0	1	0	0	0	0	1	0	1	2	1	0	7	0	0	0	0	0	0	1	1	1	0	0	1	0	0	0	1	0	1	0	0	0	0	0	1	2	1	0	0	0	0	1	1	0	2	0	1	3	0	0	2	3	4	0	1	0
+2,3,7,8-Tetrachlorodibenzofuran	5	1	3	4	5	3	2	0	3	1	1	1	7	5	15	0	0	0	1	1	3	3	0	1	1	0	1	2	2	1	2	0	2	0	0	2	1	4	2	2	0	2	1	0	0	1	1	2	2	1	0	0	0	10	3	6	1	2	7	0	0	0	7	4	2	2	1	0	0	1	0	0	7	6	3	0	0	0	0	0	0	0	1	0	0	0	4	0	0	4	1	0	4	0	0	0	0	0	1	2	1	1	2	3	0	0	0	1	2	0	1	0	1	0	1	1	5	4	2	0	1	1	1	1	2	1	3	4	1	4	2	0	4	2	5	1	1	2
+2,3,7,8-Tetrachlorodibenzo-p-dioxin	1	2	1	0	2	3	0	0	0	0	3	0	10	4	6	0	0	0	1	1	2	3	1	4	1	1	0	1	2	1	0	1	2	1	2	5	1	9	0	1	1	3	1	0	1	1	3	0	8	0	2	0	0	4	0	2	1	2	3	2	2	1	10	3	3	1	4	1	0	1	0	1	9	2	1	0	1	0	0	0	1	2	1	0	1	2	1	1	0	4	1	0	8	1	0	0	0	0	1	3	3	1	2	1	0	1	0	0	1	2	1	1	0	0	0	2	1	4	3	0	1	0	1	1	2	1	1	3	2	4	5	0	2	9	3	2	2	2
+1,2,3,7,8-Pentachlorodibenzo-p-dioxin	0	0	2	0	3	0	0	0	1	1	4	0	7	4	7	0	0	0	1	0	1	2	0	3	1	0	0	2	1	3	1	0	2	0	1	4	0	8	0	1	0	0	1	0	1	0	1	1	7	1	1	0	0	5	1	2	2	0	6	0	1	2	9	1	4	2	3	1	0	1	0	1	9	4	0	0	1	0	0	0	0	2	1	0	0	1	2	0	0	1	1	0	6	0	0	0	0	0	1	2	1	1	3	0	0	0	1	1	1	1	1	1	0	0	0	0	0	2	1	0	1	1	0	1	1	0	1	3	5	6	4	0	4	6	3	1	1	1
+2,3,4,5-Tetrabromo-6-chlorotoluene	1	3	3	5	2	1	0	0	4	1	0	2	11	6	9	0	2	0	1	0	2	2	0	1	1	0	1	1	1	3	1	1	2	0	0	1	1	7	1	0	0	0	1	2	0	0	2	2	3	1	1	0	0	5	2	4	1	1	4	2	1	2	9	1	1	5	1	2	0	1	0	0	6	4	1	0	0	0	0	0	0	2	1	0	0	1	3	0	0	2	0	0	5	0	0	0	0	0	2	2	3	2	0	1	2	1	0	0	1	0	2	0	0	0	0	0	1	3	3	0	1	0	0	1	7	0	2	4	0	1	1	1	1	5	3	0	0	1
+2,3,4,5,6-Pentabromotoluene	0	2	3	2	1	1	0	0	5	1	0	2	12	5	6	0	2	0	1	0	2	3	0	1	1	0	1	0	1	3	1	1	2	0	0	2	1	5	1	0	0	0	1	2	0	0	0	1	2	1	1	0	0	8	1	2	1	0	4	2	1	2	8	1	1	4	1	2	0	0	0	1	5	2	1	0	0	0	0	0	0	1	0	0	0	0	2	0	0	1	0	0	5	0	0	0	0	0	0	3	1	3	0	0	3	1	0	0	0	1	0	0	0	0	0	0	2	3	2	0	0	0	0	1	1	0	1	1	1	3	0	1	1	2	2	0	0	1
+2,3,4,5,6-Pentabromoethylbenzene	2	4	4	3	6	3	1	0	5	3	0	1	14	11	19	1	4	0	1	1	2	6	1	0	2	0	1	2	4	2	1	2	3	1	0	8	1	8	1	2	1	0	1	2	2	0	0	2	11	1	1	0	1	8	1	4	1	2	10	2	0	3	11	4	4	5	2	2	1	1	0	2	9	4	1	0	0	0	0	0	0	3	1	0	0	0	3	0	1	1	1	1	7	0	0	0	0	0	1	6	1	4	1	1	3	1	0	0	0	1	1	0	0	0	0	0	4	4	3	0	1	0	0	1	0	1	2	3	3	5	3	1	3	6	3	2	0	3
+2,3,5,6-Tetrabromo-p-xylene	3	3	3	4	6	4	0	0	4	4	0	1	12	11	11	0	3	0	1	1	1	8	1	0	2	0	1	1	3	2	1	2	3	1	0	7	0	8	0	3	1	0	1	1	2	0	0	1	10	0	1	0	1	8	0	3	1	2	9	0	0	1	9	2	4	4	1	2	0	0	0	2	8	2	1	0	0	0	0	0	0	3	0	0	0	0	2	0	0	0	0	1	6	0	0	0	0	0	0	4	0	4	1	1	0	0	0	0	0	1	0	0	0	0	0	0	3	3	0	1	1	0	0	1	1	2	1	2	3	2	2	1	1	3	1	1	0	3
+Allyl 2,4,6-tribromophenyl ether	13	6	4	5	16	4	9	2	5	4	4	2	27	16	29	4	5	1	6	5	10	11	3	8	4	1	4	5	6	5	4	3	7	2	2	12	6	20	6	5	2	12	2	2	3	4	6	5	20	7	2	0	1	35	10	18	4	3	25	6	4	7	36	10	9	8	5	3	4	2	0	6	35	10	7	2	1	1	2	0	0	8	2	3	2	6	5	2	4	9	7	1	26	3	1	0	0	0	2	5	7	7	5	14	3	4	1	1	5	8	4	1	0	0	1	3	23	14	16	1	4	1	4	7	7	8	7	6	3	20	7	2	13	18	11	5	5	14
+2-Bromoallyl(2,4,6-tribromophenyl) ether	7	6	1	4	3	2	2	2	4	3	1	2	13	4	17	2	2	0	1	2	2	7	2	2	1	0	0	3	2	4	1	3	5	1	0	6	3	9	2	1	0	3	2	0	1	0	4	1	7	2	2	0	1	13	3	7	1	0	13	2	1	0	12	5	5	7	3	3	3	1	0	1	10	2	5	1	0	1	0	0	0	5	1	1	3	1	3	1	0	2	0	0	9	1	0	1	0	0	3	4	1	1	1	5	2	3	1	0	3	3	3	1	0	0	0	1	8	4	9	0	2	0	1	1	5	2	4	5	4	7	2	1	1	13	3	2	1	6
+Pentabromobenzene	3	4	3	1	2	0	0	0	3	3	0	0	6	4	7	1	2	0	0	1	0	2	0	0	2	0	1	0	1	2	0	2	2	0	0	3	1	5	0	2	0	0	1	1	0	0	0	0	2	0	1	0	0	4	3	5	1	0	6	2	0	1	5	2	3	4	1	3	0	0	0	1	6	1	0	0	1	0	0	0	0	2	0	0	0	0	2	1	0	0	1	0	4	0	0	0	0	0	0	3	0	3	1	0	1	1	0	0	0	2	0	0	0	0	0	1	2	3	4	0	1	0	1	1	0	2	2	3	2	6	1	0	3	0	2	1	0	1
+Hexabromobenzene	1	3	2	1	1	0	0	0	3	1	0	0	8	4	8	0	2	0	1	0	2	0	0	0	2	0	1	0	0	2	0	0	2	0	0	1	0	5	1	0	1	0	1	1	0	0	0	0	3	1	0	0	0	3	1	2	1	0	4	1	0	1	4	1	2	2	0	1	0	0	0	1	3	1	1	0	0	0	0	0	0	1	0	0	0	0	3	0	0	1	0	1	3	0	0	0	0	0	0	2	1	3	1	0	2	1	0	0	0	0	0	0	0	0	0	0	2	4	1	0	1	0	0	1	0	0	0	2	0	3	1	0	1	1	2	1	0	1
+2,3,4,5,6-Pentabromobenzyl alcohol	7	4	5	7	11	6	3	1	5	4	3	4	20	11	32	4	5	3	6	5	7	7	3	2	2	2	2	4	4	6	3	2	5	2	2	14	3	16	6	4	3	13	5	2	0	2	8	2	23	5	1	2	5	27	6	15	5	3	20	4	2	5	27	9	7	7	3	2	1	1	1	3	20	10	11	2	2	2	0	2	2	4	3	2	2	6	5	3	1	6	4	2	17	5	2	3	1	0	1	3	5	5	4	7	3	4	1	2	4	5	3	0	0	0	1	3	18	14	14	1	5	2	5	6	10	5	8	8	7	13	6	4	7	14	11	3	8	14
+2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	5	6	2	7	5	1	7	1	4	1	3	2	11	7	18	1	2	0	4	1	6	5	2	3	2	1	2	3	2	3	0	1	3	0	2	7	2	11	4	3	1	4	2	2	1	1	5	2	12	4	1	1	2	17	3	7	1	1	10	3	3	2	15	6	5	6	2	2	3	2	1	2	19	4	7	1	0	0	0	1	0	1	2	3	3	0	5	1	2	7	1	0	10	3	1	3	0	0	3	3	4	6	3	5	3	3	3	1	4	3	1	0	0	0	0	2	11	6	16	1	5	1	4	3	5	3	3	4	4	8	4	3	7	6	9	6	5	6
+syn-Dechlorane plus	4	6	1	3	6	3	7	0	5	2	3	1	9	4	26	0	2	0	1	2	4	2	2	1	1	0	3	2	3	2	2	4	3	2	5	4	2	10	1	4	2	3	2	0	0	2	7	3	14	5	0	3	1	19	4	6	1	0	15	1	0	2	14	4	7	3	4	0	3	2	1	0	17	4	2	2	1	0	0	1	1	5	2	1	1	2	3	5	4	9	4	0	12	2	0	1	0	0	1	4	4	1	4	6	1	1	1	1	2	0	1	1	1	0	0	7	3	5	8	0	5	3	2	2	8	5	2	4	6	13	12	5	6	12	11	7	3	3
+anti-Dechlorane plus	3	5	2	4	8	2	7	0	4	1	3	2	13	4	28	0	1	0	2	2	3	2	2	1	1	1	2	3	3	2	3	4	4	2	5	5	2	8	1	5	2	4	3	0	1	2	6	3	13	5	1	2	1	22	2	6	2	0	17	1	1	2	16	5	6	1	5	1	3	1	1	1	19	4	3	2	2	0	0	0	1	5	1	1	1	2	2	5	4	8	5	0	15	4	0	1	0	0	1	6	4	2	5	5	1	1	1	1	2	1	1	1	1	0	0	7	5	5	7	0	4	3	2	1	9	4	2	5	6	13	12	5	7	13	12	7	4	3
+alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	4	6	3	2	5	1	2	0	2	3	3	0	8	1	10	0	1	0	1	1	3	2	1	0	1	0	1	0	1	2	0	2	0	0	1	0	1	4	2	2	0	0	2	2	0	0	2	2	2	1	0	0	0	10	4	5	2	0	8	2	0	1	6	2	2	1	0	2	0	0	0	0	7	4	4	0	2	0	0	0	0	2	0	0	1	0	2	1	0	2	1	0	7	2	0	0	0	0	0	1	2	1	3	2	2	0	1	1	0	1	0	0	0	0	0	2	3	5	7	0	3	0	1	2	5	3	3	5	2	6	2	1	4	4	4	1	0	2
+beta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	3	6	3	2	4	1	2	0	4	4	3	0	9	2	8	0	1	0	2	1	2	3	1	0	1	0	1	0	1	3	0	2	1	0	1	1	1	5	2	1	0	0	2	2	0	0	2	2	2	0	1	0	0	10	4	6	2	0	8	3	0	1	8	2	3	2	1	3	0	0	0	1	7	3	3	0	2	0	0	0	0	2	0	0	1	0	1	1	0	1	1	0	8	2	0	0	0	0	0	3	1	2	2	3	3	0	1	1	1	2	0	0	0	0	0	2	3	4	8	0	2	0	1	2	5	3	4	5	3	6	2	1	3	4	3	1	0	3
+1,2,5,6-Tetrabromocyclooctane	4	5	3	2	5	2	2	0	3	4	3	0	6	2	8	0	1	0	2	1	1	2	1	0	0	0	0	0	1	3	0	2	0	0	0	0	1	4	2	2	0	1	1	2	0	0	2	1	2	0	0	0	0	10	4	6	2	0	7	2	0	1	7	3	3	1	0	1	0	0	0	0	5	2	1	0	2	0	0	0	0	2	0	0	0	0	2	1	0	1	1	0	7	2	0	0	0	0	0	2	1	1	3	2	1	0	0	1	1	1	0	0	0	0	0	2	2	4	6	0	3	0	1	2	4	3	4	6	2	6	2	1	3	3	3	1	0	3
+1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	7	7	6	9	15	13	8	1	9	5	5	2	26	15	47	1	5	1	4	5	6	13	2	6	4	1	5	3	6	6	5	6	7	3	4	12	4	19	6	5	2	11	3	1	4	4	7	3	23	6	2	3	2	48	8	15	2	1	33	6	2	4	39	7	10	4	5	3	5	3	1	1	31	13	8	1	3	0	0	3	1	11	5	1	3	4	6	4	4	18	7	2	28	6	1	3	0	0	2	7	7	3	7	12	3	3	1	1	6	4	1	1	1	0	1	9	11	12	12	1	6	4	1	4	15	8	5	9	10	20	19	7	11	23	10	8	5	7
+alpha-Amylcinnamaldehyde	10	7	4	4	8	4	2	0	6	5	1	5	17	10	11	6	3	5	4	8	9	10	2	6	4	0	2	2	8	1	3	6	8	3	6	10	6	18	2	3	0	12	1	1	1	2	7	2	3	3	1	0	1	19	7	10	1	0	22	2	5	5	25	6	7	2	2	1	1	0	0	2	26	8	7	1	1	0	0	1	0	7	0	0	1	1	3	2	1	4	3	2	16	4	0	0	0	1	1	1	2	4	4	19	1	0	1	0	5	6	4	0	1	0	1	2	19	12	15	1	2	1	2	4	3	5	3	4	1	16	0	0	2	4	3	0	1	5
+trans-Cinnamaldehyde	2	6	1	5	4	2	1	0	2	1	1	0	3	3	4	0	0	0	2	1	0	5	1	0	0	0	0	1	2	0	0	1	0	1	0	1	0	2	0	2	0	2	0	0	0	0	2	1	2	1	0	0	0	5	2	7	1	2	6	0	0	0	4	2	2	0	0	0	0	0	0	0	4	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	3	0	0	0	0	3	0	1	0	0	0	0	0	3	1	5	0	1	0	0	1	1	4	3	1	1	6	0	0	1	0	2	0	1	1
+Citral (Geranial)	8	7	3	5	7	3	4	1	4	3	4	2	7	8	11	0	2	0	2	2	3	5	1	3	2	0	1	1	0	3	0	3	3	1	2	2	2	13	4	5	1	4	1	1	0	1	6	3	4	3	1	0	0	10	8	15	1	2	13	1	1	1	16	6	6	4	1	1	1	2	0	0	21	4	2	0	2	0	0	0	0	3	2	1	0	1	4	2	0	3	1	0	8	0	0	1	0	0	2	3	3	2	4	5	1	1	1	2	3	3	3	0	0	0	1	0	14	10	16	0	5	0	2	7	4	6	3	5	3	9	1	1	4	5	4	0	2	5
+1-Fluronaphthalene	3	1	1	2	5	3	2	0	4	1	0	6	5	3	3	0	1	1	1	2	2	3	0	0	1	0	0	0	1	1	2	1	3	0	0	2	0	6	3	0	1	2	0	1	1	0	1	0	1	2	1	0	1	7	1	2	0	2	7	0	1	0	11	1	3	1	2	1	0	0	0	3	6	1	2	0	1	0	0	0	0	0	0	0	0	2	1	0	0	0	2	1	7	2	0	0	0	1	0	1	0	3	2	4	0	0	0	0	1	1	2	0	0	0	0	0	5	3	4	0	1	1	1	2	1	1	1	4	1	0	0	0	0	2	0	0	0	1
+alpha-Hexylcinnamaldehyde	9	5	5	4	12	3	1	0	8	5	3	4	17	9	11	5	4	3	4	7	6	11	1	5	4	0	3	3	8	3	2	4	6	1	3	8	5	17	1	4	0	10	2	2	1	2	5	1	5	3	0	0	1	15	7	9	2	2	20	2	3	3	22	5	8	4	1	1	1	0	0	2	23	9	5	0	1	0	0	1	0	5	0	1	1	2	5	0	1	0	3	1	15	3	1	0	0	1	0	3	2	2	4	18	0	0	0	0	5	4	3	0	0	0	1	1	14	10	14	0	2	1	1	1	1	5	3	5	1	13	0	0	3	2	3	0	2	5
+Lilial	10	2	2	4	6	6	4	0	2	4	1	2	14	11	7	5	3	1	4	4	7	10	1	2	2	0	1	4	4	3	2	3	5	1	3	5	4	8	3	4	0	11	2	2	1	2	2	0	4	2	0	0	0	12	3	13	2	1	17	2	2	1	13	5	9	1	0	0	1	0	0	0	14	6	4	0	1	0	0	0	0	6	0	1	2	0	1	1	1	0	0	0	9	2	1	0	0	0	0	1	1	2	0	11	0	1	0	0	3	6	1	0	0	0	1	1	15	8	13	0	0	0	2	1	0	5	4	4	2	12	1	0	2	2	2	1	1	5
+alpha-Amylcinnamyl alcohol	10	6	3	5	7	5	5	0	6	5	1	2	13	10	7	3	2	2	3	5	4	9	1	2	4	0	2	2	6	0	2	3	6	1	4	7	3	11	3	4	0	8	1	1	2	2	4	2	3	3	1	0	0	15	6	12	1	1	18	2	2	1	17	3	7	2	1	2	1	0	0	1	18	5	3	0	1	0	0	0	0	4	0	0	0	0	2	1	1	0	2	0	11	1	0	0	0	0	0	2	1	3	1	14	1	1	1	1	5	7	1	0	0	0	2	0	12	10	15	0	2	0	1	1	3	5	4	4	2	13	1	1	2	2	3	1	1	5
+Eugenol	7	6	1	6	8	7	5	0	4	2	3	1	7	6	13	0	2	0	4	1	2	8	1	1	1	0	0	1	2	3	1	3	2	1	2	2	2	7	5	5	0	4	0	0	0	1	3	2	7	1	1	0	0	13	6	17	1	2	15	3	1	3	13	6	7	2	1	1	3	0	0	0	16	2	2	0	1	0	0	0	0	1	0	1	0	1	2	2	2	3	1	0	6	1	0	2	0	0	1	0	3	0	2	5	1	1	1	1	6	2	2	0	1	0	1	0	15	5	16	0	4	1	2	3	6	7	5	5	3	12	1	3	5	5	5	3	4	4
+Isoeugenol	5	7	4	8	8	8	3	0	6	2	1	2	9	8	11	3	2	0	5	2	2	6	2	2	2	0	0	3	1	4	2	0	3	1	2	3	2	9	4	4	0	4	1	1	0	1	2	2	7	2	2	0	0	16	3	14	4	1	13	4	2	3	18	5	9	4	3	1	1	1	0	0	16	6	3	0	1	0	0	0	0	2	1	0	2	1	3	1	1	4	0	0	9	1	1	1	0	1	1	2	3	2	2	6	1	1	2	0	4	1	4	0	1	0	0	1	16	7	12	0	2	2	2	3	5	7	4	4	2	10	1	1	4	5	4	1	2	3
+4-Methoxybenzyl alcohol	3	5	2	3	7	0	0	0	3	2	4	0	4	3	9	0	0	0	0	0	0	1	1	1	1	0	1	1	0	1	0	1	1	1	0	0	0	5	3	4	0	0	1	0	0	1	2	2	2	1	1	0	1	3	4	13	1	1	5	1	0	0	9	3	3	1	0	1	1	0	0	0	11	3	0	0	2	0	0	0	1	0	0	0	0	0	2	2	1	1	1	0	4	0	0	2	0	0	1	2	2	1	2	2	0	0	0	2	2	1	1	0	0	0	0	2	11	5	8	0	3	1	2	3	3	2	4	5	1	9	1	2	3	1	4	0	2	3
+Methyleugenol	10	6	1	5	8	9	4	0	4	2	3	3	6	11	12	1	2	0	6	2	5	10	1	1	1	0	0	2	2	3	1	2	5	1	3	1	3	7	7	7	0	7	0	1	1	2	3	1	4	3	0	0	1	15	6	17	1	0	17	1	1	1	13	8	8	1	0	0	1	1	0	0	15	3	2	1	2	0	1	1	0	1	2	0	1	0	2	1	1	3	0	0	8	1	1	4	0	1	0	0	1	1	3	11	0	1	0	1	4	4	2	0	0	0	0	2	20	6	15	0	3	0	4	2	4	8	5	7	2	11	1	3	3	3	3	1	1	7
+Cinnamyl alcohol	6	8	2	7	7	4	2	0	4	2	1	0	7	8	8	0	0	0	3	1	3	8	1	1	1	0	0	1	2	0	1	1	3	1	1	2	1	6	1	5	0	5	0	0	0	0	3	1	3	1	0	0	0	8	4	12	1	3	13	1	0	0	10	5	4	1	0	0	1	0	0	0	11	3	1	0	1	0	0	0	0	1	0	0	0	0	1	1	0	0	0	0	3	0	0	0	0	0	0	0	1	0	1	5	0	0	0	1	4	2	1	0	0	0	1	0	5	4	10	0	2	0	1	1	2	7	4	3	1	9	1	1	3	1	2	0	1	4
+Benzyl alcohol	1	7	1	2	4	0	0	0	1	0	2	1	3	2	5	0	0	0	0	0	0	0	1	1	0	0	0	1	0	0	0	2	2	1	1	0	0	4	0	3	0	0	0	0	0	0	3	2	0	0	0	0	0	4	2	7	0	1	6	0	1	0	4	3	3	0	1	0	0	1	0	1	9	3	2	0	2	0	0	0	0	0	1	1	0	0	0	1	0	0	0	0	2	0	0	0	0	0	1	1	2	0	0	2	1	0	1	1	1	0	1	0	0	0	0	0	3	2	8	0	2	0	1	2	2	2	1	3	1	6	0	1	2	1	2	0	2	0
+Estragole	5	5	1	4	5	5	4	0	3	2	1	1	8	8	8	0	0	0	3	2	4	8	1	1	1	0	0	1	2	1	0	1	4	1	2	1	1	6	3	3	0	6	0	0	0	2	2	0	3	1	1	0	0	9	4	17	1	2	14	1	0	0	9	5	6	1	0	1	1	0	0	0	10	1	1	0	1	0	0	0	0	1	0	0	0	0	1	1	0	0	0	0	4	0	0	0	0	0	0	0	0	1	0	5	0	1	0	0	3	4	2	0	0	0	1	0	9	5	10	0	0	0	2	1	1	5	5	4	2	9	1	0	2	2	3	1	1	4
+Benzyl benzoate	2	5	1	2	2	0	2	0	1	1	1	0	2	2	9	0	0	0	0	1	1	1	3	0	1	0	1	0	0	0	1	0	1	2	0	1	0	2	1	6	0	0	0	0	0	0	3	3	5	3	0	1	0	7	2	9	0	1	8	1	1	0	8	3	5	1	2	0	1	1	0	0	10	3	1	1	1	0	1	1	0	0	1	0	1	2	0	3	0	3	1	0	4	0	0	0	1	0	1	0	2	0	1	2	0	0	0	0	0	4	0	1	0	0	0	1	4	3	5	0	2	0	1	2	1	5	2	1	3	9	1	1	3	4	4	0	2	5
+Benzyl cinnamate	6	7	1	5	5	6	1	0	4	1	1	3	7	7	12	1	0	0	4	1	4	9	1	1	1	0	0	2	2	1	1	2	3	1	1	1	0	5	5	8	0	4	0	0	1	2	2	1	6	2	1	1	0	8	2	13	0	3	15	0	2	1	11	7	6	0	2	0	3	0	1	0	15	4	7	1	1	0	1	1	0	3	0	0	2	0	0	1	1	3	0	0	4	2	0	0	1	0	0	1	2	1	0	6	0	0	0	0	2	1	2	0	1	0	0	1	12	4	6	0	2	0	2	2	1	6	3	4	2	11	2	1	4	3	4	2	1	7
+Benzyl salicylate	0	2	0	1	2	0	0	1	1	0	1	1	1	1	3	0	0	0	0	0	1	0	1	0	1	0	0	0	1	0	1	0	1	1	1	0	0	1	2	2	0	1	0	0	0	0	0	1	2	0	0	0	0	1	3	4	0	1	4	0	0	0	2	1	3	0	0	0	1	0	0	0	3	0	1	0	0	0	0	0	0	1	0	0	1	0	1	2	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	4	1	1	0	0	0	1	0	1	0	1	1	2	4	0	0	1	3	2	0	0	1
+Camphor	3	7	1	3	1	0	2	0	1	0	3	1	3	2	4	0	0	0	0	0	1	1	1	3	1	0	2	0	1	0	0	2	0	1	1	1	1	5	2	3	0	0	0	0	0	0	5	2	0	1	0	0	0	3	3	8	0	0	6	0	1	0	8	2	2	0	0	0	1	1	0	0	14	4	2	0	2	0	0	1	0	1	1	0	0	0	0	1	0	2	2	1	5	0	0	0	0	0	0	0	3	0	4	4	1	0	1	2	2	0	0	0	0	0	0	0	8	5	8	0	4	0	1	6	3	4	0	3	1	8	0	1	1	2	2	0	2	2
+Eucalyptol	4	6	1	2	10	0	2	0	4	3	3	1	6	4	3	0	1	0	0	1	0	1	1	3	2	0	2	2	1	1	1	2	3	1	2	0	1	11	3	3	0	2	0	1	0	1	6	3	0	3	0	0	1	6	3	9	0	0	8	1	2	1	16	3	3	3	2	1	1	1	1	1	19	5	3	0	4	0	0	0	1	2	1	1	0	1	3	1	2	2	3	0	8	0	0	1	0	0	1	3	3	4	5	4	1	0	1	2	2	1	1	0	0	0	1	2	11	9	12	0	4	1	2	7	4	3	3	6	1	6	1	2	1	3	2	0	3	3
+Coumarin	1	1	1	1	1	3	1	0	3	0	0	2	2	4	1	0	0	0	0	0	1	3	1	0	1	0	0	0	0	1	1	0	1	1	1	1	0	3	1	2	0	1	0	0	0	2	0	0	1	0	0	0	0	1	0	4	0	1	6	0	0	0	6	1	4	2	0	0	1	0	0	0	4	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0	1	1	2	0	0	0	0	0	1	1	0	0	0	0	0	3	2	3	0	0	0	0	0	0	0	2	0	2	3	0	0	1	3	0	0	0	2
+Limonene	5	6	1	2	7	1	0	0	1	2	1	1	3	2	5	0	0	0	1	1	1	3	1	0	1	0	0	2	0	1	0	2	3	1	2	0	0	5	3	4	0	0	0	0	0	1	3	2	2	0	1	0	1	5	4	11	0	0	9	1	1	0	6	4	4	1	1	1	1	1	0	1	10	2	3	0	2	0	0	0	0	1	1	1	0	0	1	1	0	0	0	0	4	0	0	1	0	0	1	1	1	0	2	2	1	0	1	1	1	1	2	0	0	0	0	1	8	3	12	0	3	0	2	2	4	4	3	2	2	8	1	2	2	2	3	0	1	2
+Isomethyl-alpha-ionone	6	5	1	5	5	4	3	0	1	2	3	1	5	2	7	0	0	0	3	1	3	4	1	1	1	0	0	3	1	3	1	1	3	1	2	0	1	4	5	4	0	3	0	1	0	1	3	2	3	1	1	0	1	12	5	11	1	1	12	2	1	1	4	5	5	1	0	1	1	0	0	0	12	2	4	0	2	0	0	1	0	2	1	0	0	0	2	1	0	0	0	0	4	2	1	4	0	0	1	0	2	0	1	5	1	1	1	0	5	2	1	0	0	0	1	1	14	4	15	0	3	1	3	2	4	7	3	3	2	7	1	1	2	1	3	1	2	5
+delta-Iraldeine	5	3	0	6	4	5	3	0	3	1	2	3	8	2	8	1	1	0	5	0	3	5	1	1	0	0	0	4	2	4	1	1	3	1	1	1	2	6	5	6	0	3	1	1	0	2	2	1	2	1	0	0	1	13	4	6	1	0	13	1	1	1	5	8	5	0	0	0	0	0	0	1	12	3	3	1	1	0	0	0	0	2	0	0	1	0	3	1	0	0	0	0	5	2	0	4	0	0	1	0	2	0	3	6	0	1	0	0	6	2	0	0	0	0	0	2	15	0	15	0	4	1	3	1	4	5	4	3	2	8	0	2	2	1	2	1	3	4
+Safrole	5	5	1	5	7	6	2	0	2	2	2	0	6	7	9	1	1	0	3	1	3	8	1	1	1	0	0	2	2	2	0	1	2	1	2	1	2	7	2	4	0	7	0	0	0	1	3	1	4	1	1	0	1	8	4	12	1	3	12	1	0	0	7	6	4	1	0	1	1	0	0	0	8	2	1	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	4	0	0	2	0	0	0	0	1	0	0	7	0	0	0	0	3	2	2	0	0	0	1	2	10	3	9	0	1	0	0	1	2	5	5	2	2	9	1	1	3	1	1	0	1	4
+Cashmeran	13	6	3	8	6	10	4	0	6	5	4	5	18	11	12	4	3	1	9	3	9	10	1	3	1	0	0	4	3	9	2	4	5	1	3	3	4	15	9	7	0	10	2	2	2	3	4	2	3	2	1	0	1	20	6	19	2	1	21	3	4	5	21	8	9	3	2	1	1	0	0	2	23	5	7	1	2	0	0	0	0	5	0	0	1	0	5	1	0	2	0	0	11	3	0	4	0	1	1	3	4	2	6	13	1	1	1	1	7	6	3	0	0	0	1	3	32	9	23	0	5	1	3	4	5	7	7	8	2	10	1	4	3	3	4	1	2	9
+Celestolide	7	1	3	1	7	0	1	0	5	5	4	2	16	5	9	4	3	3	4	4	6	8	1	4	4	0	2	3	8	3	4	4	6	2	3	8	4	14	2	3	0	12	2	2	2	3	3	0	1	7	0	1	0	22	6	7	1	0	19	3	3	5	23	3	7	1	1	1	1	1	0	4	25	8	2	2	0	0	1	2	1	6	1	0	2	0	4	1	2	4	3	1	16	4	1	0	0	1	1	2	1	6	4	15	0	0	1	0	4	5	2	0	0	0	1	3	21	7	9	1	2	1	2	1	1	6	2	3	0	12	0	1	2	2	1	0	0	3
+Phantolide	7	1	3	1	5	1	2	0	3	4	2	3	14	3	6	4	4	3	2	4	6	7	1	3	3	0	2	3	8	3	5	3	6	2	3	7	4	14	2	1	1	11	3	2	2	1	3	1	2	6	0	2	1	21	5	5	3	1	16	2	3	4	22	3	6	2	1	1	0	1	1	5	22	7	2	2	0	1	1	2	0	8	1	0	2	0	3	2	2	5	3	1	16	5	1	0	0	2	1	2	2	5	3	17	0	0	1	1	3	6	2	0	0	0	0	2	20	7	8	1	1	1	2	1	0	5	1	2	0	9	0	1	1	2	3	0	0	3
+Tonalide	7	1	2	2	6	1	2	0	4	4	1	4	14	2	7	4	5	4	3	6	6	6	3	5	6	0	2	3	11	3	5	3	7	3	3	9	5	21	3	2	1	12	2	2	2	1	4	1	3	5	0	0	2	21	6	6	2	0	19	3	4	3	26	5	6	2	3	1	1	1	1	4	26	10	3	2	0	1	0	1	0	10	2	0	2	1	3	2	2	4	4	1	22	4	1	0	0	2	0	3	4	5	4	18	0	0	0	1	3	6	3	0	0	0	0	3	22	8	9	2	1	1	1	1	0	5	1	2	1	10	0	1	1	3	3	0	0	4
+Traseolide	2	0	0	1	2	0	0	0	2	3	0	2	7	1	2	1	2	3	2	2	6	2	0	2	2	0	1	3	5	1	1	3	4	0	4	1	4	6	1	0	0	3	1	2	1	1	0	0	1	2	0	0	0	11	1	0	2	1	5	1	0	2	8	0	3	0	0	0	0	0	0	3	7	3	2	0	0	0	0	0	1	2	0	0	1	0	1	0	1	0	1	1	7	2	1	0	0	0	1	2	0	3	1	7	0	0	0	0	3	2	0	0	0	0	0	2	9	3	4	0	0	2	1	0	0	1	1	1	0	5	0	0	0	0	1	0	0	1
+Galaxolide	8	2	3	3	7	0	3	0	4	5	0	4	16	4	9	5	7	4	3	8	8	8	3	5	5	0	3	3	12	3	7	5	7	2	4	11	6	23	2	2	1	12	3	3	2	2	4	4	4	7	0	3	3	28	11	8	4	3	22	4	6	6	32	5	7	1	2	1	0	1	1	5	34	10	5	2	0	1	1	2	1	11	2	0	3	6	3	4	3	8	6	2	26	6	1	0	1	1	0	4	4	9	4	19	1	0	0	1	4	7	2	0	0	0	0	6	20	13	12	3	2	3	2	2	1	6	2	3	0	12	0	2	2	1	2	0	0	2
+Aldrin	3	6	6	10	10	8	5	1	5	4	4	1	19	13	29	0	3	0	6	3	5	11	1	3	3	3	2	3	4	2	2	3	4	0	1	9	1	15	5	4	2	2	3	2	2	2	3	1	19	5	2	1	1	27	6	10	1	2	19	4	3	4	30	6	8	3	3	3	3	2	0	4	20	8	7	0	2	0	0	1	0	4	4	2	3	2	5	1	1	8	5	1	23	3	1	3	0	0	2	4	3	4	8	3	2	1	1	2	3	2	1	0	0	0	0	3	6	9	7	2	3	2	1	3	11	5	4	8	4	15	7	1	8	12	7	4	6	5
+Endosulfan	5	6	3	10	13	5	4	0	6	3	5	1	15	10	26	0	3	0	2	2	5	9	1	2	3	0	2	5	5	3	3	4	3	0	1	7	2	15	2	3	0	4	2	1	2	0	2	3	10	4	1	0	1	22	4	10	2	3	17	2	0	3	25	5	8	6	4	2	0	2	0	2	18	6	5	0	1	0	0	1	1	3	3	1	1	2	6	3	1	4	2	0	12	2	1	2	0	0	3	6	4	3	4	7	3	1	1	2	5	3	1	1	0	0	0	3	8	7	11	1	2	1	1	4	12	6	8	7	4	11	5	4	5	7	8	1	4	3
+Heptachlor	2	2	3	7	8	8	2	0	3	2	4	1	15	13	21	0	3	0	3	2	2	7	0	4	2	0	1	3	2	2	3	4	3	0	3	9	1	10	0	1	2	6	1	1	2	1	3	2	15	1	3	0	0	18	1	4	2	1	11	2	2	2	18	5	5	5	4	3	0	1	0	2	11	7	3	0	1	0	0	0	1	4	2	1	2	2	4	1	1	2	2	1	14	1	0	2	0	0	2	4	3	4	2	4	2	0	0	0	3	1	2	1	0	0	0	4	2	6	4	0	2	0	0	2	7	1	3	7	4	10	10	1	4	9	3	2	4	4
+cis-Heptachlor epoxide	3	4	4	8	6	3	5	0	3	1	3	1	12	8	23	1	3	0	2	2	2	4	1	3	2	0	2	2	1	2	2	4	3	0	2	6	2	12	2	2	0	2	1	2	1	0	5	6	13	3	2	0	1	21	3	8	1	2	13	1	0	2	20	2	6	4	3	3	0	1	0	2	14	7	3	0	1	0	0	1	0	5	1	2	0	0	4	0	1	1	4	0	17	1	1	0	0	0	2	3	3	3	6	4	2	1	1	1	2	3	2	0	0	0	0	1	3	5	6	1	2	0	0	3	11	3	3	7	3	7	5	1	4	9	4	3	2	4
+Endosulfan sulphate	3	2	4	6	6	6	7	0	7	2	3	3	15	8	23	0	1	0	1	1	3	4	1	1	2	0	1	4	1	3	2	2	3	0	0	5	1	10	2	1	0	2	1	1	1	0	2	2	10	4	1	0	1	19	3	7	2	2	13	2	0	3	15	5	4	4	2	2	1	2	0	1	10	3	3	0	1	0	0	0	0	3	2	1	0	0	5	0	2	3	1	0	7	2	0	1	0	1	2	4	2	3	2	3	2	1	0	0	3	1	1	1	0	0	1	2	4	5	3	0	2	0	1	1	10	2	6	6	4	5	5	1	5	11	7	4	1	5
+Endrin ketone	7	6	6	11	18	12	9	3	9	7	3	3	28	15	46	1	6	0	10	5	8	12	2	3	4	1	3	6	7	7	4	10	7	3	7	15	5	20	4	5	3	12	4	2	3	3	5	4	24	5	2	1	3	43	7	21	2	2	31	5	6	6	43	9	9	8	3	3	3	1	1	3	28	9	8	1	4	0	0	1	1	7	2	3	6	2	7	4	5	10	4	2	30	3	1	5	0	1	3	7	2	9	7	9	5	3	1	1	4	5	1	1	1	0	1	6	8	14	12	0	1	4	3	4	11	6	9	10	8	20	16	5	7	23	10	5	5	10
+trans-Chlordane	2	2	3	7	8	7	2	0	4	2	3	1	14	11	20	0	3	0	3	1	2	7	1	2	3	0	1	1	2	2	2	4	3	1	3	7	0	11	1	2	2	2	1	1	2	1	2	1	14	2	2	0	0	15	1	3	2	1	14	0	1	2	17	4	4	4	3	2	1	1	0	2	11	4	2	0	1	0	0	0	0	5	1	1	2	0	4	1	2	2	1	1	14	1	0	2	0	0	2	3	1	3	3	2	1	0	0	0	1	1	1	1	0	0	0	3	2	5	2	0	1	1	0	1	5	2	2	6	4	7	7	0	4	9	4	2	4	5
+cis-Chlordane	2	3	3	7	11	7	3	0	5	2	4	1	17	11	23	0	3	0	3	2	2	7	1	2	3	0	1	3	2	2	4	4	3	1	3	6	0	13	2	2	2	4	1	1	2	1	2	1	14	3	2	0	1	20	3	7	2	2	17	0	1	2	20	6	4	4	4	2	1	1	0	2	12	5	3	0	2	0	0	0	0	5	1	1	2	1	5	1	2	2	3	1	17	1	0	2	0	0	2	3	1	3	3	2	1	0	0	0	2	1	1	1	0	0	0	4	3	6	1	0	1	1	0	2	6	2	4	8	4	9	7	1	4	9	5	2	5	5
+Endrin aldehyde	8	8	7	13	17	12	9	3	9	3	5	2	25	16	52	1	6	0	7	3	6	14	2	4	3	3	3	5	6	4	4	8	7	2	4	12	4	18	4	5	3	11	3	2	3	2	6	8	27	8	2	2	3	42	8	18	3	4	29	3	6	4	40	8	9	6	5	2	3	1	0	3	33	13	7	1	3	0	1	2	1	10	2	3	6	4	5	5	5	11	5	1	36	3	1	4	1	1	3	6	3	6	10	11	4	2	2	1	6	4	1	1	1	0	1	7	10	10	12	1	4	5	4	5	14	7	8	11	7	20	19	5	12	25	10	5	9	8
+Endrin	5	7	4	12	14	10	8	3	7	2	6	2	22	13	44	0	6	0	7	3	3	13	2	6	3	0	4	4	5	2	4	8	7	3	5	13	4	18	3	6	2	13	2	2	3	2	4	6	25	7	2	0	3	38	6	15	2	2	27	4	4	4	37	8	7	4	3	2	1	1	0	2	28	11	7	1	4	0	0	1	1	7	1	3	5	2	5	4	3	9	4	1	28	3	1	5	0	1	2	5	4	3	8	10	5	3	1	2	5	1	2	1	1	0	1	6	10	10	8	0	2	4	3	4	12	6	7	11	7	15	14	6	10	22	9	6	8	8
+4,4'-Dichlorodiphenyldichloroethylene	3	1	3	5	4	3	3	3	3	2	1	0	12	4	16	0	3	0	6	1	2	4	1	1	3	0	1	0	1	6	1	3	3	2	1	8	0	10	5	4	1	7	1	1	1	1	0	4	10	3	3	0	2	15	2	5	1	3	11	2	2	2	18	4	2	5	2	5	1	0	0	2	17	3	3	1	0	1	0	0	0	2	0	2	3	2	2	1	2	3	3	0	13	1	1	3	0	0	2	3	1	4	5	1	1	2	0	2	1	4	1	0	0	0	0	1	9	8	2	1	0	1	1	3	2	2	3	2	3	6	2	2	4	8	3	5	3	6
+Methoxychlor	0	0	4	1	4	0	1	2	1	1	4	1	4	2	16	0	3	1	6	3	4	3	4	1	2	0	2	0	2	1	5	3	2	3	3	9	2	10	1	2	2	8	2	1	1	6	1	3	14	7	1	2	2	22	6	6	3	2	11	2	5	3	21	3	6	4	2	0	2	1	1	3	22	5	5	1	1	1	1	4	3	4	4	1	2	6	2	4	3	4	2	2	10	2	3	2	1	0	2	3	4	5	3	3	2	4	1	1	1	3	1	1	0	0	0	4	7	7	2	3	2	3	1	4	4	3	1	1	5	11	5	2	4	7	4	2	1	5
+4,4'-Dichlorodiphenyldichloroethane	3	4	4	8	9	7	2	1	8	2	2	0	14	8	20	0	3	1	9	1	2	9	1	2	2	0	2	1	4	6	2	3	1	3	0	9	2	13	4	5	2	8	2	1	3	1	4	2	10	2	1	3	3	19	2	11	2	2	13	2	1	3	26	6	5	4	3	3	3	0	1	1	18	5	2	2	0	2	1	2	1	6	2	0	1	2	2	4	1	10	1	1	12	2	2	4	0	0	1	8	3	5	3	2	1	2	0	1	2	2	0	0	0	0	0	3	14	6	4	0	2	2	1	5	8	4	3	4	3	7	4	4	4	6	3	3	3	5
+4,4'-Dichlorodiphenyltrichloroethane	3	2	4	6	7	5	3	3	5	2	2	1	12	4	22	0	3	1	9	1	2	6	1	2	2	0	2	2	2	6	2	2	1	3	0	9	2	12	3	5	3	8	2	1	1	0	3	3	14	2	1	3	3	22	2	8	1	3	13	3	1	3	26	4	5	4	3	3	3	0	1	2	19	2	3	2	0	2	0	2	0	6	2	2	2	3	2	4	1	10	1	1	14	2	2	4	0	0	1	5	2	4	4	0	1	3	0	1	2	4	0	0	0	0	0	2	12	5	6	1	2	1	0	6	8	5	4	4	3	4	5	4	4	11	3	5	3	6
+Tris(4-tert-butylphenyl) phosphate	5	1	0	1	4	1	0	1	1	1	0	1	4	2	11	0	2	0	2	3	5	5	2	1	1	0	1	0	1	2	1	0	3	1	2	4	2	4	3	6	1	6	1	0	2	0	1	0	5	1	0	0	1	11	5	3	1	0	8	0	2	1	5	7	4	2	0	0	1	1	0	0	11	4	7	2	1	2	2	2	2	3	1	0	1	3	3	1	2	3	1	1	7	0	1	0	1	0	1	0	1	2	2	2	2	1	1	0	0	4	0	0	0	0	0	0	5	0	5	2	1	0	4	0	2	4	1	3	1	6	4	1	3	1	1	1	1	4
+Tri-n-butyl-phosphate	1	1	2	1	1	0	2	1	1	0	0	0	3	1	3	1	0	0	0	1	0	1	0	3	0	0	0	0	1	0	0	0	1	0	1	4	1	1	0	1	1	2	0	0	1	1	1	1	2	1	1	0	0	5	1	1	0	0	3	1	1	2	8	0	0	2	2	1	0	0	0	2	9	2	3	0	0	0	0	0	0	0	0	1	0	1	1	0	1	1	2	0	6	0	0	0	0	0	0	0	0	1	4	1	3	0	1	0	0	2	0	0	0	0	1	0	2	3	2	0	1	0	0	2	1	0	0	0	1	2	0	0	1	0	0	0	2	2
+Tris(1,3-dichloro-2-propyl)phosphate	1	5	2	5	2	2	0	1	1	0	0	1	12	2	17	1	1	0	0	2	0	4	1	1	0	1	0	0	1	2	0	2	2	0	2	5	0	2	0	2	0	1	1	0	1	0	1	1	11	2	1	0	1	17	1	3	0	1	6	0	1	0	5	5	1	2	1	1	0	0	0	1	7	2	2	0	0	0	0	0	0	0	0	1	1	0	1	1	0	0	0	0	7	1	0	0	0	0	1	0	0	0	1	1	2	2	1	0	1	1	0	2	0	0	0	1	1	1	2	0	0	0	0	0	2	1	3	0	6	7	4	1	3	7	4	3	2	4
+Tri-o-cresyl phosphate	3	5	2	4	8	1	2	4	2	1	4	0	5	3	14	0	5	0	8	4	6	4	6	4	5	0	4	3	3	5	3	5	5	3	3	2	3	12	4	6	1	2	3	1	3	1	3	2	6	2	0	1	2	17	8	15	1	0	20	0	5	2	16	6	9	2	2	1	5	1	0	2	24	9	6	4	2	1	2	5	1	6	1	2	3	6	3	4	4	7	4	1	15	1	1	1	1	0	2	1	4	2	5	6	2	0	1	1	2	6	1	1	0	0	0	5	14	5	7	4	3	1	4	2	2	5	4	7	1	13	3	6	3	1	5	1	1	5
+Tri-m-cresyl phosphate	4	4	3	1	4	0	1	4	1	0	2	0	3	3	9	1	1	2	4	4	3	1	8	3	4	0	3	0	4	3	3	3	1	4	2	5	0	11	2	5	2	5	4	1	3	2	5	2	8	2	0	1	1	18	9	11	2	0	20	1	5	3	14	4	6	4	2	0	6	1	1	1	26	7	5	3	2	0	2	7	1	2	3	0	1	6	2	4	3	7	3	2	14	0	0	1	1	0	3	0	4	3	7	4	1	2	1	1	0	3	1	1	0	0	0	4	10	3	5	5	3	2	5	3	3	5	1	4	1	10	3	5	2	2	5	1	0	5
+Tri-p-cresyl-phosphate	4	5	2	1	4	0	1	4	1	0	3	0	3	3	8	1	1	1	2	4	3	1	7	4	3	0	3	0	5	3	3	3	1	3	1	3	0	11	2	5	3	4	4	1	3	2	5	2	7	1	0	2	1	16	8	11	1	0	19	1	5	3	13	4	6	4	2	0	4	1	2	1	28	8	4	3	2	0	2	7	1	3	3	0	1	6	2	4	3	8	3	1	14	0	0	0	1	0	3	0	7	4	5	4	1	1	1	2	1	2	1	1	0	0	0	3	11	4	7	4	3	1	5	2	1	4	0	5	1	10	3	5	2	1	4	1	1	4
+Isodecyl diphenyl phosphate	2	2	0	2	2	0	4	0	2	0	0	0	3	1	5	0	3	0	2	2	1	2	0	1	2	0	2	1	1	2	2	1	2	0	2	2	3	2	2	1	0	3	1	1	0	0	2	3	0	1	0	0	1	10	1	2	1	1	4	0	0	0	7	3	2	1	1	2	0	1	0	0	7	3	2	0	0	2	1	1	0	1	1	0	1	2	0	2	2	4	2	1	7	0	2	1	0	0	0	0	2	0	1	4	0	0	0	0	0	3	0	0	0	0	0	0	5	3	2	2	2	0	1	1	1	2	0	0	0	5	1	1	0	0	1	3	0	3
+Tris(isopropylphenyl)phosphate	7	4	2	5	7	3	3	1	3	3	1	0	8	5	25	0	2	2	8	4	11	13	3	1	1	0	0	6	3	6	2	5	6	1	3	5	3	12	9	5	0	7	4	0	2	3	5	1	9	5	0	2	1	27	7	12	0	0	33	1	2	3	17	10	14	1	1	4	7	2	0	2	24	6	12	3	1	0	1	2	1	7	1	1	1	6	5	4	6	10	3	1	16	3	0	1	2	0	2	1	3	3	4	8	4	2	1	0	1	7	2	0	1	0	0	3	12	4	10	2	1	0	5	3	5	7	5	6	2	13	4	2	5	4	6	5	2	9
+Tris(3,5-xylenyl)phosphate	5	3	2	2	3	2	1	2	2	1	1	0	4	1	20	0	0	0	2	1	5	3	2	0	1	0	0	1	0	1	1	1	1	1	0	3	0	2	6	9	2	1	1	1	2	3	2	0	6	4	2	0	1	15	6	9	2	2	12	1	4	1	14	7	7	5	3	3	5	1	0	3	19	4	10	3	3	1	1	1	0	1	2	1	5	3	3	3	5	4	2	0	7	3	2	1	3	0	2	0	6	1	6	1	0	0	0	0	2	4	1	1	3	0	0	3	13	6	3	1	4	2	7	2	3	6	3	4	3	11	3	1	8	6	8	5	2	9
+Tris(2-butoxyethyl) phosphate	2	1	5	2	4	2	3	1	4	3	1	2	11	6	15	2	3	1	1	4	1	3	2	5	1	0	2	1	6	1	2	4	3	0	4	11	2	8	2	0	3	4	4	2	1	3	6	2	12	4	1	1	2	12	5	1	3	0	10	1	4	3	23	1	3	3	3	1	1	1	2	3	23	10	6	3	2	0	0	2	1	4	2	1	1	4	2	3	3	4	8	2	18	1	1	1	1	0	1	1	4	6	4	5	4	1	3	1	1	4	1	0	0	0	1	5	7	5	6	3	1	2	2	2	4	1	1	4	1	7	2	2	1	2	2	0	0	3
+Tris(2-chloroethyl) phosphate	2	2	1	1	2	1	1	0	4	1	0	1	7	4	17	0	1	0	1	1	3	2	1	1	1	0	1	0	1	1	1	0	1	1	1	5	0	1	1	4	0	4	3	1	1	1	0	1	5	3	1	0	2	8	1	1	0	1	9	0	0	0	5	4	2	1	2	4	1	0	0	1	9	2	7	0	1	0	0	0	0	2	1	0	1	4	1	0	0	4	2	0	10	1	1	0	0	0	1	0	1	0	1	1	2	1	2	0	2	1	0	0	0	0	0	1	3	1	2	0	1	2	1	0	4	1	1	3	4	5	4	0	6	6	4	5	0	4
+Tris(1-chloro-2-propyl) phosphate	0	3	2	2	3	2	6	0	3	1	2	2	10	2	6	0	1	0	3	1	1	4	2	0	0	0	0	1	1	1	1	1	2	0	2	1	1	3	4	1	0	4	0	0	2	1	1	1	2	4	1	0	0	20	2	4	1	0	11	3	1	3	9	2	2	0	2	1	3	0	0	2	9	0	8	1	1	0	0	0	1	1	0	0	1	1	1	2	2	0	4	1	12	3	0	1	0	0	0	0	0	1	0	1	3	2	1	0	1	1	0	0	0	0	0	2	4	0	4	0	0	2	2	1	3	0	3	4	2	5	1	1	2	4	3	2	2	1
+Tris(2-ethylhexyl) phosphate	0	0	0	0	0	0	2	0	1	0	0	0	2	2	0	0	0	0	0	0	0	1	0	2	1	0	2	0	2	0	0	0	1	0	1	1	1	4	0	0	0	0	0	0	1	0	2	0	0	0	1	0	0	1	0	0	0	0	1	1	0	1	5	0	0	2	1	2	0	0	1	1	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	3	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	1	0	0	0	0	0	0	2	1	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	1
+Triphenyl phosphate	3	2	1	1	4	0	4	0	2	3	2	1	5	4	5	0	3	4	3	3	7	4	0	4	3	0	1	1	3	5	2	2	6	1	4	2	3	11	3	0	1	11	1	1	0	5	1	5	8	5	0	1	1	19	3	2	2	2	14	1	0	3	19	2	3	1	0	3	0	2	0	5	11	3	4	2	0	2	3	1	2	4	1	0	1	1	0	3	2	6	1	2	16	2	2	0	0	1	0	2	4	4	2	5	2	1	0	0	2	4	0	0	2	0	1	4	7	6	4	1	3	2	0	0	1	1	0	1	1	8	2	1	2	4	5	0	1	1
+1,2-Benzanthraquinone	2	2	1	4	5	4	3	0	3	2	3	1	11	4	11	0	2	0	7	1	9	12	0	0	2	0	0	0	4	3	5	3	3	0	2	8	1	13	3	1	3	7	1	0	3	1	2	0	6	5	2	3	1	16	1	5	0	2	19	2	0	4	22	3	3	2	2	2	0	2	1	3	11	6	4	2	1	0	0	1	1	8	1	0	1	1	2	3	0	4	3	2	10	1	0	1	0	0	2	1	4	6	5	5	0	1	1	1	0	1	1	0	0	0	0	1	16	2	1	0	0	1	1	0	3	2	2	3	2	2	5	0	1	1	3	1	0	2
+1,4-Chrysenequinone	8	5	5	6	17	8	6	0	6	5	7	5	23	11	30	2	8	1	15	6	13	19	5	3	6	0	3	4	6	5	9	6	9	1	7	14	7	25	6	10	2	14	3	3	4	2	7	4	13	7	1	4	5	42	9	19	6	5	38	4	7	11	50	14	9	5	6	4	4	2	2	7	40	15	15	5	2	3	3	3	2	10	1	0	2	7	4	6	5	9	8	6	30	6	2	5	1	0	5	6	7	10	10	14	2	0	3	3	4	5	3	1	1	0	0	6	42	16	13	5	2	5	7	7	9	5	5	6	5	13	9	5	7	7	9	5	4	12
+Hydroxychrysene	6	1	0	2	2	1	1	3	1	1	3	0	3	2	9	0	1	3	3	3	7	5	2	2	1	0	0	1	3	5	2	2	3	2	2	3	2	8	7	0	2	5	1	0	2	2	2	3	4	4	1	0	1	14	3	8	0	0	9	0	0	3	13	1	1	4	0	2	1	0	1	4	14	6	4	0	2	0	0	1	0	2	2	2	3	0	2	1	1	5	1	1	10	3	0	0	0	1	1	0	7	3	1	2	0	1	0	1	1	2	1	0	0	0	0	1	17	2	4	2	4	0	2	0	4	1	2	6	2	1	2	0	2	3	4	1	2	3
+1-Nitronaphthalene	9	5	6	3	9	5	3	0	8	6	0	6	21	14	7	4	2	4	5	4	9	12	2	4	2	0	1	1	7	3	6	3	8	3	2	13	2	15	0	2	1	11	2	1	2	3	2	0	7	4	2	0	1	15	5	10	3	3	24	2	2	4	24	6	7	4	2	2	0	0	0	4	18	8	4	1	2	0	0	0	0	5	0	0	0	2	3	0	1	2	3	2	16	3	0	0	0	1	0	3	0	6	3	15	0	0	0	0	4	5	5	0	0	0	2	1	11	11	8	0	1	2	1	2	0	3	3	4	4	8	0	0	1	2	3	0	1	3
+Hydroxyfluoren-9-one	0	0	3	2	7	1	2	0	4	1	1	1	7	5	6	0	2	0	1	3	1	2	0	2	3	0	3	0	1	1	2	3	2	1	1	3	1	9	0	1	1	2	2	1	0	2	1	2	4	3	0	0	0	11	2	6	1	2	6	0	2	2	18	1	1	1	0	0	0	0	0	1	15	3	1	0	1	0	1	0	1	1	0	1	0	1	1	3	2	3	2	1	10	0	0	0	0	0	0	2	0	5	3	3	1	0	0	1	0	2	0	0	0	0	1	3	4	6	2	1	0	2	1	4	0	1	2	2	1	6	2	1	1	0	1	0	2	0
+1,4-Naphthoquinone	7	5	4	5	10	6	3	0	6	5	1	0	19	13	13	6	4	1	5	4	6	13	1	4	3	0	3	3	8	3	4	4	4	2	4	13	4	16	0	2	0	11	2	0	1	2	2	1	5	5	1	0	0	18	5	9	2	2	18	2	4	4	27	7	5	2	3	0	0	2	0	0	23	8	4	1	0	0	0	1	1	4	2	0	1	0	3	0	2	5	1	2	9	1	0	0	0	0	1	4	1	4	3	15	1	0	1	0	5	3	3	0	1	0	0	2	9	11	10	0	1	1	0	1	1	6	4	4	1	13	0	0	3	1	4	0	1	2
+2-Methylnaphthalene	1	1	1	1	5	1	2	0	3	3	0	0	5	5	3	1	1	2	1	2	3	2	0	2	3	0	2	0	2	0	2	1	5	0	3	3	1	5	0	1	0	4	0	0	0	1	0	1	1	4	0	0	0	5	1	1	0	0	7	0	0	1	9	0	2	1	0	0	0	0	0	0	10	4	3	0	2	0	0	0	1	2	0	0	0	0	2	0	1	2	1	0	5	0	0	0	0	0	0	1	1	2	1	5	1	0	1	0	1	1	0	0	0	0	1	1	0	4	3	0	0	1	0	0	1	0	0	4	0	4	0	0	2	0	2	0	0	0
+1-Methylnaphthalene	1	0	1	1	5	1	2	0	3	3	0	0	6	5	2	1	1	2	1	2	2	2	0	3	2	0	2	0	2	0	3	1	5	0	2	3	1	4	0	1	0	4	0	0	0	1	0	0	1	3	0	0	0	5	1	1	0	0	7	0	0	1	9	0	2	1	0	0	0	0	0	0	8	4	1	0	2	0	0	0	1	2	0	0	0	0	0	0	1	1	1	1	5	0	0	0	0	0	0	1	0	1	1	5	0	0	0	0	1	1	0	0	0	0	1	1	0	2	2	0	0	1	0	0	0	0	0	3	1	4	0	0	1	0	1	0	0	0
+2,6-Dimethylnaphthalene	7	4	3	3	10	2	3	0	3	4	0	0	17	5	11	2	1	2	4	4	6	6	1	3	4	0	3	1	6	3	3	3	6	2	2	10	3	13	0	2	0	7	2	0	1	3	3	1	6	6	1	0	0	15	5	4	1	1	12	2	1	4	18	6	3	1	1	1	0	1	0	1	19	7	3	1	2	0	0	2	1	4	2	0	0	0	6	1	2	4	3	1	13	0	1	2	0	0	0	4	2	4	3	10	0	0	0	0	1	5	1	0	0	0	2	1	6	9	8	1	2	2	1	1	1	4	1	5	2	11	0	0	4	1	3	0	0	2
+1,3-Dimethylnaphthalene	7	4	5	3	12	3	3	0	6	4	0	1	20	8	12	1	2	1	3	4	5	7	1	4	4	0	3	2	5	3	4	3	6	2	2	10	4	16	2	2	0	4	2	1	1	3	5	0	5	5	1	0	0	14	6	5	1	1	14	2	2	4	22	5	5	4	3	2	0	2	0	2	22	7	5	1	1	0	0	2	1	5	3	1	0	2	7	1	2	4	4	1	13	0	1	2	0	0	1	6	2	5	2	8	0	0	0	0	1	3	2	0	0	0	1	1	7	14	9	0	2	2	1	5	1	3	2	6	2	10	0	0	2	2	5	0	1	1
+1,4-Dimethylnaphthalene	5	3	4	3	9	3	2	0	5	3	0	0	13	3	8	1	1	1	3	3	3	5	1	2	2	0	2	1	5	1	4	2	3	2	2	8	2	8	0	1	0	2	2	0	1	2	1	0	5	4	0	0	0	11	4	4	1	1	9	2	1	3	15	2	3	2	0	0	0	1	0	0	14	5	1	1	1	0	0	2	1	3	2	0	0	0	3	0	2	2	3	1	7	0	1	2	0	0	0	3	0	2	1	7	0	0	0	0	1	1	1	0	0	0	1	1	5	7	3	0	1	2	0	1	0	3	1	4	0	9	0	0	1	1	2	0	0	0
+1,5-Dimethylnaphthalene	6	4	4	2	9	2	4	0	7	5	1	2	19	10	11	3	2	2	4	4	4	7	1	4	4	0	4	1	6	2	4	3	7	2	3	10	4	16	1	1	0	8	3	2	2	2	5	1	5	7	1	0	0	18	4	5	1	0	14	3	2	6	20	5	6	3	1	2	0	1	0	1	25	6	4	1	2	0	1	2	1	5	2	0	0	0	4	3	2	3	4	1	14	2	1	2	0	0	0	5	0	4	3	11	1	0	1	0	1	5	2	0	0	0	2	2	10	9	9	1	1	2	2	4	1	3	2	4	1	11	0	0	1	2	4	2	0	3
+1,2-Dimethylnaphthalene	5	5	4	3	8	1	4	0	4	3	0	0	11	6	8	1	1	1	3	3	3	3	1	4	3	0	3	1	5	0	3	1	5	2	2	8	2	9	1	1	0	5	1	0	1	2	1	0	5	5	0	0	0	13	7	6	2	1	12	2	1	4	16	1	3	1	0	0	0	1	0	2	17	4	2	1	2	0	0	2	1	3	2	1	0	1	3	0	2	3	4	1	11	0	1	2	0	0	0	2	0	3	1	6	0	1	1	0	2	1	1	0	0	0	2	2	5	8	4	0	1	3	0	2	0	3	1	5	0	11	0	0	2	2	2	0	2	0
+1,8-Dimethylnaphthalene	5	3	4	2	11	2	3	0	5	3	0	1	14	6	9	1	2	1	3	4	3	4	1	3	5	0	4	1	6	1	4	2	5	2	2	8	2	13	1	2	0	4	2	2	2	2	1	0	6	6	0	0	0	14	5	4	1	1	11	2	1	5	17	5	3	2	0	1	0	1	0	0	18	5	2	1	2	0	1	2	1	4	2	0	0	0	5	1	2	3	3	1	11	1	1	2	0	0	0	3	0	4	2	8	0	0	0	0	1	2	1	0	0	0	2	1	7	9	5	1	1	2	2	2	0	3	1	5	0	10	0	0	2	2	2	1	0	3
+7,12-Dimethylbenz[a]anthracene	2	0	3	2	4	2	3	4	3	4	3	1	7	5	8	0	2	1	6	3	5	5	3	7	3	0	2	2	8	2	5	2	4	1	5	14	2	11	3	1	3	12	6	3	1	5	3	1	11	4	0	3	1	13	7	2	2	1	18	0	1	4	25	4	1	4	2	3	4	0	2	4	13	8	8	1	1	0	1	3	1	5	4	1	2	4	3	4	1	10	5	4	20	4	0	2	1	0	1	1	4	7	6	2	0	3	1	1	2	3	0	0	1	0	1	2	11	8	4	5	2	2	2	4	2	0	2	3	4	3	4	2	2	5	3	4	1	3
+2,4-D butyl ester	4	2	3	3	6	5	5	3	3	3	3	2	18	4	10	1	2	0	7	4	2	5	2	6	3	0	1	2	6	2	4	5	6	1	2	7	2	13	4	3	0	4	2	1	3	3	1	1	9	3	1	2	1	28	3	2	1	2	14	1	1	4	23	7	2	2	2	2	5	1	1	3	19	9	3	2	2	1	0	2	1	5	2	1	1	0	4	0	2	8	5	1	23	1	1	1	0	1	1	1	2	1	6	3	2	1	0	1	2	5	1	0	0	0	2	3	2	4	3	1	3	3	1	3	4	3	3	7	3	6	3	2	1	6	1	1	3	3
+Chlorferone	0	1	0	0	1	0	1	2	0	0	1	0	1	1	7	0	1	0	1	1	2	1	3	0	2	0	0	0	0	0	0	1	2	1	1	4	0	3	1	3	1	1	0	0	0	0	1	3	5	2	0	0	1	6	3	4	0	2	4	1	3	2	7	3	4	3	1	0	1	0	0	0	11	2	2	2	0	1	1	0	0	2	0	0	3	3	0	3	0	2	1	0	6	1	0	0	2	0	1	0	3	0	2	1	1	0	0	0	0	5	0	1	0	0	0	2	2	3	2	2	1	1	2	1	1	1	1	0	1	6	0	0	2	3	3	2	2	3
+Carbofuran phenol	9	5	1	4	8	9	3	0	4	2	4	3	10	7	11	0	1	0	4	3	4	9	1	1	1	0	1	2	3	3	2	2	4	1	3	1	2	7	5	5	0	5	0	1	1	2	3	3	3	2	1	0	1	14	4	19	0	2	15	2	0	2	15	6	8	2	1	1	1	0	0	0	15	3	2	0	2	0	0	0	0	2	0	0	0	1	2	1	0	1	1	0	6	1	0	3	0	1	1	1	1	1	4	11	1	1	1	1	4	4	3	0	0	0	1	1	20	6	17	0	3	1	3	3	6	7	5	5	2	10	1	2	3	3	3	1	0	6
+Diazinone	5	4	5	5	11	10	9	4	5	1	5	2	11	12	20	2	3	2	9	4	10	8	5	6	2	0	3	1	6	7	6	2	3	0	6	7	4	18	10	5	2	12	2	2	3	4	7	4	13	4	1	2	3	30	8	17	3	5	22	3	4	4	32	11	8	3	4	1	1	2	1	4	27	8	10	3	2	1	2	4	0	4	3	0	1	7	5	4	3	9	6	3	20	1	2	4	1	0	4	1	8	5	8	8	2	2	1	1	5	4	1	1	1	1	2	7	22	14	14	4	5	1	4	9	10	7	4	7	2	12	2	4	2	4	4	3	3	8
+Dimethachlor	5	4	1	5	4	4	3	1	2	1	1	2	6	6	10	1	1	1	3	4	6	7	1	0	0	0	0	1	3	2	0	2	4	1	3	2	1	5	3	2	1	8	1	0	0	2	3	1	6	1	0	1	1	10	8	11	1	1	12	0	3	0	8	6	4	1	0	0	0	0	1	0	13	1	3	0	1	0	0	0	0	4	0	0	1	3	2	4	0	1	2	0	4	1	0	0	0	1	0	0	1	2	3	6	0	1	0	0	2	4	3	0	0	0	1	0	12	6	9	0	0	1	3	1	2	5	2	2	2	7	2	1	2	3	3	1	2	2
+Alachlor	12	4	4	7	6	11	5	1	7	5	3	5	18	15	19	7	4	4	9	4	13	17	0	5	1	0	0	4	6	8	3	5	8	3	4	9	5	15	6	3	1	20	4	3	3	5	3	1	9	3	1	2	1	20	10	16	5	2	29	4	4	4	28	8	9	3	2	1	5	0	2	4	25	7	9	1	0	1	0	1	0	9	2	1	7	4	3	4	3	6	0	1	19	7	1	2	2	1	0	2	5	2	10	23	0	2	1	0	5	8	3	0	2	0	1	5	28	12	15	1	4	5	3	2	6	4	6	4	1	12	2	1	4	7	6	4	2	5
+Chlorpyrifos	2	2	0	3	4	4	1	2	0	0	4	0	8	2	18	1	1	0	4	0	1	0	2	2	1	0	0	0	0	1	1	1	2	1	2	3	1	4	0	3	0	2	0	0	1	0	1	2	12	1	1	0	0	9	0	0	0	0	9	2	0	1	12	2	4	0	2	0	0	0	0	2	6	4	3	0	1	0	0	0	0	2	0	1	1	0	1	1	0	1	2	1	9	0	0	0	0	1	1	0	1	1	6	1	3	2	1	1	2	0	0	0	0	0	0	1	1	0	6	0	2	0	0	1	8	1	1	5	5	2	10	1	1	12	0	1	1	2
+Fenoxaprop-ethyl	10	5	2	6	7	3	5	2	2	0	1	3	8	3	16	0	3	3	3	4	15	9	3	6	1	0	2	1	6	8	8	2	5	1	3	6	2	13	6	2	0	12	2	1	1	4	3	6	9	7	0	2	3	26	9	7	0	4	27	4	3	6	17	6	3	4	3	1	1	1	1	2	25	10	13	3	1	2	0	3	0	5	1	0	2	6	5	2	1	15	5	3	22	5	1	1	3	1	2	1	12	1	3	9	4	1	1	1	2	2	1	0	0	0	1	3	4	7	12	1	5	1	2	1	6	3	2	5	4	5	3	1	1	3	6	1	2	3
+Atrazine	7	4	3	5	9	6	5	0	9	3	5	5	19	12	16	3	2	2	9	2	12	9	1	4	2	0	2	4	2	9	2	4	6	0	3	3	6	18	4	5	1	12	2	2	1	2	4	2	2	4	1	0	1	24	1	10	3	2	26	5	4	7	31	10	7	3	2	1	1	2	0	5	28	7	8	1	1	0	0	1	1	7	3	1	3	1	2	2	1	4	2	1	13	2	0	3	0	1	3	4	2	5	9	14	1	0	1	2	8	3	3	0	1	0	1	3	19	10	19	0	2	3	2	4	4	6	6	6	1	5	2	2	3	6	2	0	3	7
+Malathion	9	3	2	6	5	4	2	1	4	4	1	3	17	7	10	1	3	0	5	2	4	9	1	2	2	0	1	3	6	2	2	2	4	0	1	9	3	5	2	2	1	9	2	1	2	1	3	1	10	3	2	1	0	15	2	3	1	1	17	1	0	1	14	3	6	3	2	2	2	0	0	3	15	6	4	0	1	0	0	0	0	3	0	2	0	0	2	1	0	1	3	1	16	2	1	0	0	0	0	1	1	2	4	7	0	3	0	0	4	4	1	0	0	0	1	1	8	3	11	0	3	0	1	0	6	5	4	3	3	7	1	0	1	7	2	0	1	5
+Metazachlor	7	7	2	10	4	5	4	3	4	1	5	1	9	12	15	1	1	0	4	3	8	10	1	5	2	0	2	2	3	3	2	3	4	2	5	4	3	5	4	2	2	10	1	0	0	4	4	4	10	5	1	2	1	13	4	12	2	2	13	2	2	1	21	4	2	3	1	0	0	0	0	2	20	7	5	0	2	1	2	2	1	2	0	1	3	2	2	4	1	7	2	0	9	0	0	1	1	0	0	1	5	4	4	9	2	3	1	0	5	6	1	0	1	0	1	4	11	10	11	0	5	1	2	2	8	5	5	6	3	8	2	1	2	7	5	2	3	6
+Metolachlor	8	3	3	6	3	7	3	2	7	2	1	6	11	10	8	4	2	2	5	3	6	10	0	3	0	0	0	2	3	3	1	2	7	1	3	10	4	11	4	3	1	16	1	1	1	3	1	0	5	4	2	1	2	16	5	7	2	1	17	0	3	2	21	4	7	2	4	1	2	0	1	2	16	4	6	0	0	0	0	0	0	3	2	1	1	1	2	1	1	2	2	1	9	4	0	2	0	1	0	2	0	2	6	12	0	3	0	1	5	6	3	0	1	0	2	1	14	6	15	0	4	2	1	2	5	5	3	5	3	7	1	0	3	5	2	0	1	5
+Methyl parathion	7	11	3	10	9	0	4	1	4	3	6	1	10	5	18	2	0	0	1	4	4	2	1	6	3	0	2	3	2	3	1	1	3	2	1	5	2	11	5	5	0	4	1	0	0	3	6	4	4	3	0	0	2	20	6	15	0	4	13	4	1	2	26	8	4	2	3	1	2	1	0	2	24	9	8	1	3	0	1	2	1	3	1	1	0	1	6	3	1	6	5	2	19	0	1	3	0	0	2	1	4	1	7	4	5	1	1	2	3	5	1	0	0	0	1	3	10	10	16	2	4	1	2	5	11	4	6	9	1	11	1	3	3	5	4	1	3	5
+Pendimethalin	16	8	2	9	8	14	5	3	7	6	4	9	22	16	25	7	5	3	12	5	15	21	2	4	2	0	0	5	7	12	4	5	9	2	6	10	6	18	11	9	1	20	4	2	3	5	5	3	10	6	1	0	1	25	10	20	3	4	30	5	6	6	29	14	11	3	2	1	1	0	0	3	29	8	13	3	2	1	1	1	0	11	1	2	7	4	3	3	3	11	2	0	18	6	1	3	1	2	0	2	5	2	7	22	1	2	1	1	6	8	4	0	1	0	1	6	29	12	18	1	6	4	6	1	5	5	6	8	4	15	3	3	7	10	9	5	2	10
+Phosmet	2	5	0	3	1	3	1	0	3	0	0	0	2	3	2	3	1	0	1	0	1	2	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	2	1	2	0	4	0	0	0	1	0	0	1	0	1	0	0	3	1	3	1	0	4	0	2	0	4	2	2	0	1	0	0	0	0	0	3	0	2	0	0	0	0	0	0	1	0	0	1	0	0	1	0	1	1	0	2	0	0	0	0	0	0	0	0	0	1	4	0	1	0	0	3	0	0	0	1	0	0	1	4	2	4	0	1	0	0	0	1	2	1	2	1	5	1	0	1	0	1	0	1	2
+Terbufos	4	3	1	1	3	1	0	0	0	2	2	1	11	1	4	0	0	0	1	1	1	2	1	2	0	0	1	1	4	1	0	1	3	0	1	2	0	0	1	1	0	2	0	0	2	1	0	2	1	0	1	0	0	9	2	1	0	0	3	2	0	1	5	2	2	0	2	1	0	1	0	1	7	5	5	0	0	0	0	1	0	3	0	0	0	1	1	1	0	1	4	1	9	2	0	0	0	0	1	0	1	0	2	1	2	1	1	0	2	0	0	0	0	0	0	2	1	1	4	0	3	1	1	0	5	2	1	3	1	3	0	0	1	3	3	0	1	0
+Terbutylazine	4	3	1	4	6	4	2	0	8	3	6	3	11	6	13	1	0	2	6	4	5	8	2	2	1	0	2	1	0	3	1	4	5	2	1	4	3	11	2	4	1	6	2	1	1	3	2	2	5	4	1	1	1	14	3	8	1	2	15	1	5	3	26	3	4	2	0	2	0	1	0	4	19	3	2	1	0	0	1	1	2	3	0	0	2	1	1	3	1	6	1	1	6	3	0	1	0	1	2	1	1	4	6	7	0	1	1	1	3	2	2	0	1	0	1	3	19	6	8	0	1	2	4	4	2	2	7	5	3	5	3	2	1	4	2	0	2	4
+Trifluralin	3	1	2	5	6	5	4	0	5	2	3	7	14	7	18	3	2	2	7	7	16	11	1	4	1	0	3	3	6	6	3	4	6	1	3	7	4	12	4	2	2	15	1	1	0	4	2	1	8	10	2	2	4	28	2	2	3	2	23	3	4	5	28	6	6	2	2	1	1	2	1	3	24	10	16	2	2	2	0	3	1	9	2	2	3	4	2	7	2	9	7	2	16	7	5	2	1	1	3	0	3	1	4	11	1	0	2	1	4	4	3	0	1	0	2	4	8	10	8	0	1	3	1	0	3	5	1	2	2	6	4	0	2	5	3	0	2	5
+2,2',3,4,4',5',6-Heptabromodiphenyl ether	6	3	1	5	3	2	4	0	1	1	3	3	8	4	16	1	2	0	1	1	0	3	1	1	0	0	1	4	2	2	0	2	2	1	1	2	0	6	6	5	0	2	0	0	0	0	2	2	4	0	1	0	1	15	2	7	1	2	6	1	2	1	9	3	4	5	1	1	1	1	0	0	11	4	4	0	1	0	0	0	0	2	1	0	1	0	2	1	1	0	2	0	4	0	0	3	0	0	2	2	2	0	4	4	3	0	1	1	5	0	2	0	0	0	1	2	13	1	13	0	5	0	3	6	7	3	3	3	3	4	5	1	1	2	2	1	3	2
+2-Chlorobiphenyl	5	3	3	4	8	3	5	0	4	1	0	0	12	5	11	1	0	0	4	4	4	7	1	3	2	0	2	2	3	4	3	1	2	1	0	8	1	6	5	1	0	3	1	0	2	1	1	0	5	3	1	0	0	11	3	5	0	2	9	3	1	4	16	4	2	2	2	2	1	1	0	2	14	7	5	0	1	0	1	2	0	3	2	1	1	1	3	1	2	3	5	2	7	2	1	2	0	0	0	1	1	3	3	3	2	1	0	0	0	2	0	0	0	0	1	1	6	5	4	1	1	1	1	2	1	3	1	3	3	5	0	0	1	2	1	3	0	2
+2,3-Dichlorobiphenyl	3	4	3	5	7	3	4	0	4	1	1	0	11	8	11	0	0	0	3	3	4	8	0	2	3	0	3	2	3	1	3	2	4	0	0	5	1	9	4	1	0	2	2	0	3	1	0	0	8	3	2	1	0	14	3	7	1	2	8	3	0	3	17	5	1	4	3	4	1	2	0	3	14	7	7	0	1	0	1	2	0	1	4	1	1	2	2	2	0	5	3	1	13	3	1	3	0	0	2	2	0	2	3	2	2	1	1	1	2	3	2	0	0	0	0	1	7	7	6	2	3	2	1	2	5	4	1	3	2	5	1	1	3	4	2	3	1	1
+2,2',5-Trichlorobiphenyl	4	2	3	5	7	4	2	0	2	2	4	0	10	7	8	0	0	0	4	3	3	6	0	2	3	0	0	4	4	1	2	2	3	0	2	4	1	9	5	2	0	3	3	0	4	1	1	1	6	1	3	1	1	15	1	4	1	3	7	4	2	1	22	4	1	4	3	3	3	2	1	3	17	7	6	0	0	0	1	1	0	2	4	1	2	3	1	1	1	5	3	0	14	2	1	3	0	0	2	2	1	2	5	3	2	1	1	2	3	4	2	0	0	0	0	2	8	8	7	2	4	2	1	2	6	4	3	3	1	5	2	2	2	4	1	3	2	2
+2,4',5-Trichlorobiphenyl	4	2	2	5	6	4	1	0	2	2	4	0	10	5	7	0	0	0	4	3	3	6	0	2	3	0	0	4	3	1	2	1	3	0	1	4	1	8	4	2	0	3	3	0	3	0	0	1	4	1	3	1	1	13	1	3	1	3	7	4	2	1	21	4	1	2	3	3	3	2	0	3	16	7	5	0	0	0	1	1	0	2	4	1	2	2	1	1	1	4	3	0	12	2	1	3	0	0	2	2	1	2	5	3	2	0	0	2	3	4	2	0	0	0	0	2	7	8	6	1	3	1	1	2	5	4	3	3	1	4	2	2	1	4	1	1	2	2
+2,2',3,5'-Tetrachlorobiphenyl	2	1	4	4	6	8	5	0	4	2	4	1	12	5	13	0	0	0	3	2	1	5	0	2	2	0	0	1	4	1	2	1	4	0	2	7	0	9	3	3	1	4	2	1	2	2	1	2	9	2	3	1	1	21	4	7	2	4	11	4	2	3	19	3	4	4	2	3	4	1	1	2	19	7	6	0	1	0	0	1	0	5	3	2	2	1	5	0	2	5	3	0	16	4	1	3	0	1	2	2	2	2	4	1	1	1	1	2	4	4	3	0	0	0	0	3	8	9	7	1	2	2	1	2	6	3	4	6	2	5	5	1	4	9	5	2	4	5
+2,3',4,4'-Tetrachlorobiphenyl	3	1	2	4	4	6	3	0	3	2	3	1	10	2	8	0	0	0	3	2	1	5	0	2	2	0	0	1	4	1	2	1	3	0	2	6	1	9	2	3	0	0	2	1	2	1	1	2	6	2	2	1	1	16	3	4	0	3	10	4	1	3	18	3	2	3	2	3	3	1	1	2	18	7	5	0	0	0	0	1	0	5	3	2	1	1	3	0	2	4	3	0	13	3	1	3	0	1	2	1	1	2	4	0	2	1	0	2	3	4	2	0	0	0	0	1	6	7	7	1	2	1	0	2	5	3	2	3	2	4	4	1	3	8	3	2	3	5
+2,2',3,4',5,5',6-Heptachlorobiphenyl	4	3	3	5	5	6	4	0	2	2	3	1	12	10	17	0	3	0	2	2	5	3	3	4	1	0	2	2	5	1	5	2	4	3	1	8	0	10	1	1	1	2	1	1	1	0	3	3	8	3	2	0	1	13	5	6	2	1	15	2	0	4	16	3	2	6	2	2	0	1	1	2	17	7	3	1	1	0	0	0	0	5	1	1	0	3	2	0	0	6	3	1	16	0	0	0	0	1	1	3	3	4	5	2	1	0	0	1	2	2	4	0	0	0	0	1	6	6	5	1	3	1	0	2	7	0	4	7	5	4	9	1	1	6	4	3	2	3
+2,2',3,4,4',5',6-Heptachlorobiphenyl	4	2	3	4	3	6	4	0	3	1	3	2	8	6	19	0	3	0	1	1	3	2	3	2	1	0	1	2	3	1	5	2	5	2	0	7	1	9	2	1	0	2	1	1	0	0	1	3	10	4	1	0	1	11	4	7	2	2	13	3	0	2	14	3	3	4	1	1	0	1	0	0	14	6	3	1	1	0	0	0	0	5	1	1	0	3	4	0	0	3	3	0	13	0	0	0	0	1	1	2	3	1	4	1	2	0	0	1	2	0	3	0	0	0	0	1	6	4	5	1	2	1	1	2	7	0	4	8	4	3	9	1	1	7	5	3	2	3
+2,2',3,3',4,4',5-Heptachlorobiphenyl	5	3	3	6	3	6	4	0	3	1	3	3	7	6	19	0	3	0	1	2	3	2	2	2	1	0	1	2	3	1	4	2	5	2	0	7	1	8	2	1	0	2	1	1	0	0	2	4	10	2	1	0	1	11	4	7	2	2	14	2	0	2	14	3	3	4	1	1	0	1	0	0	14	7	3	1	1	0	0	0	0	5	1	1	0	3	4	0	0	3	3	0	14	1	0	0	0	1	1	2	3	1	4	2	2	0	0	1	2	0	4	0	0	0	0	1	6	5	6	1	3	1	1	2	8	0	5	8	4	5	10	1	1	8	5	3	2	3
+2,2',3,4,5'-Pentachlorobiphenyl	5	0	3	5	3	6	5	0	3	1	4	1	10	5	10	0	2	0	2	1	3	3	1	5	2	3	1	1	4	1	2	3	3	1	0	7	1	10	4	4	0	3	2	1	2	0	0	3	4	1	2	1	0	14	6	9	2	2	12	3	2	1	16	3	3	4	2	2	4	1	0	2	17	7	3	0	1	0	0	0	0	4	1	1	0	1	5	0	2	3	3	0	13	1	0	1	0	1	2	2	1	2	4	1	2	1	0	1	4	4	3	0	0	0	0	0	9	6	6	0	2	0	2	2	6	1	5	8	3	4	3	2	3	6	4	1	5	2
+2,3,3',4',6-Pentachlorobiphenyl	3	0	3	3	1	5	3	0	3	1	4	1	7	2	5	0	1	0	1	1	2	2	0	2	2	3	1	1	4	1	1	2	2	0	0	6	1	8	2	2	0	2	2	1	2	0	0	2	4	0	2	0	0	13	2	5	2	1	8	2	1	1	14	2	2	3	2	2	2	1	0	1	12	6	2	0	1	0	0	0	0	3	1	1	0	1	2	0	1	2	3	0	9	1	0	1	0	1	2	2	1	2	4	1	1	1	0	1	4	4	3	0	0	0	0	0	6	5	5	0	2	0	1	2	4	1	2	5	1	4	3	1	1	5	2	1	5	2
+2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	5	3	2	4	2	3	4	0	0	0	2	2	8	5	19	0	3	0	1	2	2	1	1	2	0	0	0	2	2	2	4	1	4	2	0	2	1	3	1	1	0	2	0	2	0	0	2	3	7	4	0	0	1	9	1	3	1	1	17	2	0	2	8	4	2	0	1	0	1	1	0	0	14	5	5	1	2	0	0	0	0	5	1	0	0	1	1	0	1	3	3	0	13	3	0	0	0	0	1	1	2	1	3	1	2	0	0	0	2	0	2	0	0	0	0	0	2	3	6	1	3	1	1	1	8	1	2	5	4	3	8	0	3	8	2	5	2	5
+2,2',3,5,5',6-Hexachlorobiphenyl	3	0	3	6	4	7	4	0	3	1	3	2	12	5	18	0	3	0	1	2	4	3	3	3	1	3	0	2	3	1	4	3	4	2	0	9	1	11	1	3	0	3	1	1	1	0	0	2	9	3	2	1	1	17	5	8	2	2	12	3	2	2	14	4	3	4	2	2	3	1	0	1	16	7	4	1	1	0	0	0	0	4	1	1	1	3	5	0	1	2	4	0	15	0	0	1	0	1	2	3	1	2	3	0	2	0	0	1	3	3	3	0	0	0	0	0	5	5	5	1	2	0	2	1	6	0	5	8	5	4	7	1	3	9	5	2	5	3
+2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	6	4	3	6	4	2	5	0	3	0	3	1	13	9	16	1	1	0	1	2	2	2	0	2	1	0	1	3	2	2	5	1	4	1	1	6	1	7	3	1	0	5	1	2	0	0	2	6	7	2	1	0	0	13	4	6	2	2	16	2	0	1	14	4	3	4	1	1	0	1	0	0	15	7	3	1	1	0	0	0	1	6	1	0	0	2	3	0	1	4	3	0	18	0	0	0	0	1	1	1	3	2	3	3	5	0	1	1	2	0	3	0	0	0	1	1	5	5	6	0	3	1	2	2	7	0	4	7	3	5	6	1	2	9	5	4	3	4
+2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	6	1	5	8	10	6	5	0	5	2	4	2	15	11	30	1	3	0	2	3	7	9	0	3	1	0	1	5	4	1	5	4	4	0	1	9	3	10	1	2	0	4	2	2	1	1	3	4	11	2	2	0	1	26	6	9	2	3	22	3	2	1	20	7	4	8	2	2	0	1	0	2	19	8	5	0	1	1	0	0	0	5	1	2	0	3	5	0	2	4	3	0	20	0	0	0	0	1	3	1	2	2	4	4	3	0	0	1	5	4	3	0	1	0	1	2	6	6	8	1	1	2	1	3	7	2	6	8	3	8	7	2	5	13	6	4	4	5
+2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	4	1	4	7	4	6	7	0	5	1	3	2	9	7	24	1	2	0	1	2	3	3	0	2	1	0	1	3	3	1	5	3	3	1	0	8	2	9	3	2	0	4	2	2	0	0	2	4	14	2	1	1	1	18	5	7	2	2	13	2	1	1	19	5	1	6	1	1	1	1	0	0	11	6	3	1	1	1	0	0	1	5	1	1	0	2	5	0	3	4	3	0	19	0	0	0	0	1	1	1	2	2	5	2	3	1	0	1	2	1	3	0	0	0	1	1	5	5	5	1	2	0	1	2	7	0	4	7	0	9	5	1	3	13	4	5	2	4
+2,2',3,4,5,5'-Hexachlorobiphenyl	3	1	3	6	4	7	4	0	3	1	3	1	11	4	15	0	3	0	1	2	3	3	2	3	1	3	0	2	3	1	4	3	4	2	0	8	1	10	1	3	0	2	1	1	1	0	1	2	6	3	2	1	0	16	4	8	2	2	12	3	2	1	14	3	3	4	2	2	3	1	0	2	15	7	3	1	1	0	0	0	0	4	1	1	0	2	5	0	1	3	4	0	13	0	0	1	0	1	2	3	2	2	3	0	2	0	0	1	3	3	3	0	0	0	0	0	5	5	5	0	2	0	2	1	5	0	5	8	4	3	6	1	3	7	5	2	5	3
+Praziquantel	9	5	2	4	6	4	5	0	6	4	5	6	14	9	10	4	3	2	5	5	9	12	4	7	1	0	2	3	10	1	5	5	7	3	4	10	4	15	1	3	1	11	2	2	1	1	6	3	3	6	0	1	2	19	6	7	3	1	25	4	3	6	27	5	9	1	2	1	0	1	2	2	28	11	7	3	1	1	0	0	0	10	1	2	1	4	3	2	0	8	5	2	18	5	1	0	1	1	0	1	4	4	5	23	2	0	1	1	5	6	4	0	0	0	0	2	20	9	17	1	4	3	1	5	3	5	3	5	2	11	0	0	3	3	4	0	2	3
+Mexacarbate	8	4	1	4	6	7	3	0	1	2	2	0	8	7	9	1	1	0	3	3	2	10	1	1	1	0	1	1	0	4	1	1	1	1	2	1	3	8	6	4	0	7	1	0	0	2	3	1	4	1	1	2	1	15	5	15	2	1	12	2	1	3	13	5	7	1	1	1	2	0	0	0	11	2	3	0	2	0	0	2	0	2	1	0	0	2	2	2	1	3	0	0	8	0	2	5	0	0	1	1	3	1	2	5	0	1	0	0	4	4	2	0	0	0	1	2	20	9	13	0	5	1	2	3	6	7	4	3	3	6	1	2	3	2	3	1	1	4
+Aminocarb	5	4	2	4	4	3	2	0	1	1	3	0	8	4	11	0	0	0	2	1	5	3	1	2	1	0	0	1	0	2	0	1	2	1	1	0	1	4	3	3	0	4	1	0	0	2	2	0	3	1	1	0	1	7	6	14	1	1	8	2	0	1	8	5	4	1	0	1	1	1	0	0	9	2	0	0	2	0	0	1	0	0	2	0	1	0	2	1	0	1	0	0	6	1	1	3	0	0	0	1	2	1	0	4	0	0	0	1	1	4	1	0	0	0	1	2	14	8	8	0	1	2	2	3	1	5	3	6	2	8	1	2	2	1	4	1	2	4
+Isocarbophos	5	2	2	7	6	2	2	1	2	2	6	0	7	5	14	1	2	0	1	3	0	7	2	5	1	0	2	2	3	2	0	1	1	3	2	3	2	11	7	5	2	2	2	0	1	2	4	2	6	2	1	2	1	12	6	9	1	2	10	0	1	2	15	1	3	4	0	2	1	1	1	0	18	6	2	1	1	0	0	2	1	5	0	0	0	2	2	3	2	6	3	0	15	0	1	2	0	0	1	0	2	2	5	0	2	0	1	1	3	1	1	0	0	0	1	5	10	5	7	0	4	2	2	2	8	3	3	7	2	6	5	2	2	4	2	0	3	3
+Acephate	3	3	2	3	6	4	5	3	3	2	4	2	13	10	25	6	6	1	5	4	13	12	2	7	2	1	1	3	6	5	2	3	5	3	3	11	5	14	4	3	4	12	7	0	2	2	7	4	16	5	4	1	3	22	10	10	3	3	26	3	6	8	31	5	6	1	5	5	1	2	2	5	29	7	14	2	0	1	1	1	0	12	2	1	6	9	3	6	2	14	5	2	17	5	0	2	1	2	2	3	8	5	7	13	2	4	1	2	0	8	1	1	2	0	0	5	29	11	10	2	3	3	5	3	3	3	2	2	3	9	5	6	6	10	12	3	4	6
+Carbaryl	3	0	1	0	2	0	2	0	1	0	0	3	6	5	2	1	0	2	2	2	5	1	0	4	0	0	1	0	2	0	3	0	5	0	1	3	1	5	0	1	0	4	0	1	0	1	1	0	1	2	0	0	1	3	1	2	0	0	9	0	0	2	5	2	2	0	0	0	0	0	0	0	7	4	2	0	1	0	0	0	0	2	0	0	0	1	1	0	0	1	2	1	5	2	0	0	0	0	0	0	0	1	1	6	0	0	0	0	0	2	1	0	0	0	1	0	0	2	4	0	0	1	1	0	0	1	0	2	1	2	0	0	1	0	0	0	0	1
+Mevinphos	2	3	1	4	4	3	2	0	1	1	1	0	7	3	4	0	1	0	0	1	1	0	0	4	1	0	1	1	2	1	1	1	1	0	2	2	3	4	1	2	0	2	1	0	0	2	3	1	3	1	0	0	0	3	1	2	0	1	2	0	0	3	9	1	2	1	1	0	0	0	1	0	6	3	3	1	0	0	0	0	0	1	0	0	0	1	2	1	0	4	2	0	6	0	0	0	0	0	0	0	3	1	2	2	0	1	0	0	1	2	0	0	0	0	2	1	1	6	4	0	3	0	0	2	3	1	1	1	2	6	0	1	1	2	2	0	1	2
+Dicrotophos	1	3	2	2	5	3	2	0	3	1	2	1	9	4	5	0	0	0	0	0	2	1	0	6	1	0	2	1	3	2	1	2	1	0	1	4	3	7	1	3	0	1	3	1	0	2	3	2	4	2	1	0	0	8	2	2	1	0	5	0	2	3	14	1	2	2	3	2	1	0	0	2	12	4	4	1	0	0	0	0	0	2	0	1	1	1	2	3	0	4	4	0	10	0	0	0	2	0	0	2	2	1	6	2	0	1	0	1	1	4	0	0	0	0	1	2	4	5	5	0	2	0	0	6	1	2	2	1	3	4	1	1	1	2	3	1	3	4
+Monocrotophos	7	3	2	3	12	8	7	0	5	6	5	1	15	6	22	2	6	0	4	4	4	9	4	8	2	0	2	2	5	2	3	5	4	3	2	11	2	12	5	8	1	4	0	0	3	5	4	3	11	5	3	0	3	22	8	21	0	2	22	2	5	5	36	8	6	4	7	4	2	2	0	3	34	13	12	4	2	1	1	3	1	7	4	1	5	6	4	5	3	9	6	2	21	4	2	4	2	1	2	4	5	5	10	10	1	1	0	3	3	8	4	1	2	0	2	6	30	16	9	2	3	4	1	9	4	6	3	5	9	12	3	4	5	6	6	4	5	10
+Dimethoate	5	3	2	6	4	1	1	0	5	1	0	1	11	7	2	1	0	0	2	2	2	4	2	1	1	0	0	1	0	2	4	1	2	2	2	4	0	3	3	5	0	2	0	0	0	2	1	2	1	1	0	0	0	8	4	5	0	1	12	1	0	1	10	2	5	2	1	0	1	0	0	0	12	4	3	1	1	0	0	0	0	4	0	0	0	1	1	2	1	1	3	0	12	1	0	0	0	0	0	1	1	1	3	2	0	1	0	0	2	1	0	0	0	0	0	1	5	3	8	0	4	0	0	0	4	2	2	4	2	7	1	0	2	3	1	0	1	2
+Dimethomorph _isomer1	2	0	0	3	3	3	2	3	2	1	3	0	4	1	19	0	2	1	6	4	2	4	2	2	0	0	2	0	5	4	4	1	1	0	3	5	3	9	3	5	1	7	1	1	1	3	3	0	18	6	5	5	1	29	0	6	0	1	16	2	2	4	21	4	4	1	3	1	2	1	2	2	24	7	8	2	2	0	1	6	2	1	3	2	2	3	0	6	3	10	6	2	16	4	3	4	1	0	3	1	3	1	2	2	2	1	0	0	0	1	0	1	1	0	0	4	10	2	1	0	1	2	3	2	4	4	1	4	2	7	6	2	2	4	4	1	3	4
+Dimethomorph_isomer2	2	0	0	3	3	3	2	3	2	1	3	0	4	0	20	0	3	1	6	4	2	4	3	2	0	0	2	0	5	4	4	1	1	0	3	6	3	9	2	5	1	7	1	1	0	3	3	0	19	5	5	5	2	28	1	5	0	1	16	2	2	5	20	2	4	1	3	1	2	1	2	2	22	6	9	3	2	0	0	5	2	1	3	2	2	4	0	5	3	10	5	2	16	4	3	4	2	0	3	1	3	1	1	2	3	1	0	0	0	0	0	1	1	0	0	3	9	2	2	1	1	2	2	2	5	3	0	4	1	7	5	2	2	4	4	0	3	4
+Vamidothion	4	1	3	3	6	5	3	0	7	0	1	5	9	6	4	1	0	0	2	2	4	6	0	4	1	0	0	0	3	3	4	0	2	0	2	4	3	5	0	4	0	5	1	1	0	3	3	0	2	2	0	0	0	8	2	5	1	1	17	0	0	3	16	3	4	3	1	0	0	0	1	0	16	5	4	0	1	0	0	0	0	1	0	0	0	0	1	2	0	2	4	1	10	1	0	0	0	1	0	1	2	3	5	6	0	1	0	0	3	4	2	0	0	0	1	0	6	5	10	1	2	0	1	1	2	3	2	4	2	5	0	0	2	3	4	0	2	4
+Temephos	3	1	2	2	2	1	0	0	4	2	3	2	9	4	6	2	1	0	2	2	5	5	1	5	2	0	1	1	2	1	1	1	3	1	3	3	4	6	1	2	1	7	2	0	1	2	2	0	10	1	1	2	1	14	3	0	2	1	12	3	2	5	13	1	4	1	2	2	1	1	0	2	8	4	6	1	0	0	0	0	2	6	0	2	3	5	1	3	1	5	4	1	10	2	2	0	0	0	1	1	2	2	3	2	0	2	1	0	2	1	0	0	2	0	1	3	4	5	5	0	2	2	3	0	4	1	0	5	0	5	7	4	3	4	3	0	7	4
+Methomyl	12	7	4	8	11	10	6	3	8	4	2	3	19	14	31	4	6	4	7	6	14	15	2	5	2	0	1	7	10	6	6	5	10	0	6	11	4	20	5	4	2	15	3	3	1	3	4	2	18	10	3	2	5	39	11	15	4	3	31	6	4	8	41	11	11	4	4	2	4	2	1	3	38	12	14	3	3	2	0	1	0	13	4	2	5	7	6	7	2	10	9	2	28	9	2	3	2	0	3	3	9	5	6	17	1	2	1	2	4	9	4	0	1	0	3	6	32	15	15	2	3	6	1	4	6	5	6	6	3	21	6	4	9	8	9	5	2	10
+Ethiofencarb	1	4	1	3	3	0	2	0	2	1	2	0	2	0	5	0	1	0	0	1	0	0	1	1	1	0	0	0	0	0	2	1	1	1	0	0	0	1	2	1	0	1	0	0	0	1	2	3	1	1	0	0	0	6	3	7	0	1	4	0	0	0	5	3	3	0	1	0	0	0	0	0	7	2	0	0	2	1	1	0	1	1	0	0	0	0	1	2	2	1	0	0	6	0	0	0	0	0	0	0	2	1	0	2	2	0	0	0	1	2	0	0	0	0	0	1	6	3	3	1	2	1	2	2	3	2	1	5	1	7	0	1	0	0	3	0	2	1
+Furathiocarb	6	4	2	5	8	9	4	0	6	1	3	3	11	9	18	1	1	0	2	3	4	9	2	2	2	0	2	2	1	4	2	1	7	2	3	2	3	9	5	7	1	11	1	1	1	4	3	1	11	2	2	1	1	18	6	15	2	1	18	0	1	3	16	7	11	4	4	3	1	0	0	2	21	5	2	1	2	1	2	2	0	1	0	0	2	4	3	2	2	4	3	0	11	1	1	4	1	1	2	2	2	2	3	9	1	1	0	1	4	5	2	1	0	0	2	4	18	7	15	1	4	1	4	2	5	9	3	4	3	11	1	2	4	7	5	2	4	8
+Methabenzthiazuron	2	6	2	3	5	3	2	0	3	1	4	0	2	4	7	0	2	0	0	1	0	1	1	3	0	0	2	1	0	3	1	1	1	1	1	0	2	6	1	4	0	1	0	1	0	0	4	3	3	0	1	1	1	6	5	10	0	1	7	1	0	2	8	2	4	3	1	1	0	0	0	0	12	3	1	0	1	0	0	1	0	2	0	0	0	1	2	1	0	4	1	0	5	0	0	1	0	0	0	1	3	1	3	3	3	0	1	1	2	0	1	0	0	0	1	1	7	4	7	0	4	0	0	4	6	3	1	4	1	5	0	2	2	2	1	0	2	3
+Methiocarb	2	2	1	2	7	0	2	0	2	1	2	0	5	0	9	1	1	0	1	3	0	0	1	1	2	0	2	0	1	0	1	0	1	1	0	2	0	4	2	2	0	2	0	0	0	1	1	3	2	1	0	0	0	7	3	4	0	2	4	0	1	0	11	4	3	1	1	0	1	0	0	0	11	4	2	0	1	1	1	2	1	1	0	0	0	2	3	2	3	1	3	1	6	0	1	2	0	0	1	1	1	2	2	3	0	0	0	1	2	2	0	0	0	0	0	1	6	8	5	1	1	1	2	2	2	2	1	5	1	7	0	0	1	1	2	0	1	2
+Tebuthiuron	4	0	1	0	3	0	1	0	3	1	0	1	11	5	3	1	3	0	1	1	2	2	1	3	1	0	1	2	1	2	2	2	1	2	0	3	3	9	0	1	0	0	1	1	1	0	2	0	1	1	0	0	0	5	2	2	3	2	5	1	2	2	11	1	3	3	2	1	0	1	0	1	7	2	0	1	0	0	0	0	0	2	1	0	1	0	1	0	0	1	0	0	4	0	1	0	0	0	1	3	0	1	1	3	0	0	0	0	0	0	2	0	0	0	0	0	5	4	3	0	1	1	0	2	0	0	1	0	1	1	0	0	1	1	1	0	0	1
+Iprovalicarb isomer 2	7	2	1	2	6	5	2	0	4	2	1	2	11	10	6	4	1	3	3	3	8	7	1	4	2	0	0	0	3	2	1	2	6	1	2	6	2	9	2	4	0	11	0	0	1	2	2	0	3	0	2	0	1	10	5	8	1	1	16	1	2	3	12	6	4	2	3	1	1	0	0	1	10	3	4	0	0	0	0	0	0	3	0	0	1	1	2	0	0	2	0	2	8	2	0	0	0	1	0	1	0	3	4	10	0	0	0	0	3	4	2	0	1	0	1	1	11	7	10	0	1	1	0	1	1	4	1	4	4	7	0	0	2	2	1	0	1	4
+Propham	5	1	0	2	3	1	0	0	2	1	0	0	1	4	3	0	0	0	0	1	1	4	1	0	1	0	0	0	0	1	0	0	1	1	1	0	0	1	5	2	0	1	0	0	1	2	0	0	2	0	0	0	0	2	3	9	0	0	5	0	0	0	4	4	2	0	0	0	1	0	0	0	8	1	1	0	0	0	1	1	0	0	0	0	0	0	1	1	0	1	0	0	4	0	0	0	0	0	0	0	0	1	2	1	0	0	0	0	1	1	0	0	0	0	0	0	9	2	4	0	2	0	2	1	2	2	2	1	2	4	1	0	0	1	1	1	1	3
+Propoxur	0	1	0	1	2	0	2	0	0	0	2	0	0	0	2	0	0	0	0	0	1	0	0	2	0	0	1	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	0	0	0	0	1	2	1	1	0	0	0	3	0	1	0	0	3	0	0	0	3	0	0	0	0	0	0	1	0	1	7	2	2	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	1	0	3	0	0	0	0	0	0	0	1	0	2	3	2	0	1	1	1	0	0	0	0	0	0	0	2	1	3	0	1	0	0	2	2	1	0	1	0	1	0	0	0	0	0	0	3	1
+Pyraclostrobin	0	3	1	1	2	1	1	0	3	1	1	0	3	3	7	0	0	0	2	1	0	1	0	0	1	0	1	0	0	1	1	2	1	0	1	1	2	0	2	2	0	2	0	0	1	1	1	0	5	3	0	1	0	7	2	6	1	1	4	0	0	1	8	4	2	0	1	0	1	0	0	1	6	2	2	1	0	0	2	0	1	0	0	1	1	0	0	0	1	3	0	0	3	0	0	0	1	0	0	0	0	1	1	2	1	0	0	0	2	1	1	0	1	0	0	1	4	2	1	0	0	1	1	2	0	2	2	2	1	6	0	2	2	2	2	2	4	5
+Thiobencarb	3	3	3	1	6	1	1	0	2	3	1	0	9	7	6	1	2	0	2	2	3	6	1	3	1	0	0	1	3	1	3	3	4	0	1	7	1	4	1	1	1	4	1	0	2	4	0	0	6	3	1	1	0	8	6	6	1	1	10	1	1	1	10	4	3	4	2	2	0	0	0	3	10	4	1	0	1	0	0	0	0	0	0	0	1	3	3	1	0	1	3	2	13	1	0	0	0	0	0	1	1	2	1	1	0	0	1	0	0	4	1	0	1	0	1	1	3	2	3	1	0	1	1	0	1	1	4	2	3	5	0	0	2	1	1	1	0	1
+Isoprocarb	3	1	0	1	4	1	0	0	1	1	1	0	1	1	6	0	0	0	1	1	1	3	1	0	1	0	0	1	0	1	0	0	2	1	1	0	0	2	3	3	0	0	0	0	0	1	0	0	2	0	1	0	1	2	3	8	0	0	7	0	0	0	2	3	2	1	0	1	1	0	0	0	7	0	1	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	2	0	0	1	0	0	0	0	0	0	2	0	0	0	0	0	1	0	1	0	0	0	0	1	8	1	5	0	2	0	2	1	2	4	2	2	2	5	0	1	1	1	1	0	1	1
+Linuron	4	8	6	6	18	8	6	0	10	5	5	4	24	13	30	0	5	0	7	4	5	7	1	7	5	0	5	3	7	3	4	8	6	1	3	15	3	20	5	6	1	9	4	2	2	2	8	4	13	4	3	2	1	33	11	13	2	3	23	1	5	5	37	11	10	8	7	3	4	1	1	3	31	10	7	1	2	2	0	2	1	6	4	1	1	7	7	1	3	11	5	3	28	3	3	2	0	0	3	7	5	8	7	8	3	1	1	1	6	2	2	1	0	0	1	4	11	15	16	1	3	1	4	8	11	4	5	8	5	18	3	1	5	10	7	6	4	9
+Metobromuron	8	4	3	6	2	4	1	2	4	1	2	3	13	8	14	1	0	0	3	4	5	5	3	1	3	0	2	2	3	3	2	2	4	2	6	5	1	11	3	2	0	4	2	1	1	2	0	3	13	0	0	1	0	22	3	9	1	3	9	0	1	1	11	2	6	4	1	1	1	1	0	0	9	3	2	0	0	0	0	0	0	5	1	1	1	3	1	3	1	2	3	0	10	0	0	0	0	1	1	3	1	3	3	4	1	1	1	0	2	3	1	0	0	0	0	0	8	5	8	0	3	0	1	0	4	2	3	2	3	7	3	1	1	8	1	1	1	5
+Monolinuron	9	4	6	4	6	5	2	0	5	3	0	2	18	11	11	3	4	2	3	5	8	10	1	3	3	0	3	3	6	4	3	3	5	2	3	9	5	13	6	4	2	5	2	1	2	4	3	0	6	2	1	1	0	15	7	12	2	3	21	2	1	4	30	6	4	3	2	1	1	0	0	4	22	5	7	1	1	0	0	2	1	4	0	1	1	3	5	0	2	3	4	2	17	1	0	0	0	1	1	3	1	8	5	8	1	0	0	0	1	6	1	0	0	0	1	2	14	11	9	0	2	1	1	2	1	4	5	6	4	12	2	0	2	3	4	1	1	5
+Pirimicarb	0	1	0	1	3	1	1	0	1	0	2	1	5	2	5	0	0	0	1	2	2	1	0	3	0	0	2	0	1	0	1	1	0	1	0	1	0	4	0	1	0	1	0	0	0	0	2	1	3	2	0	2	0	7	1	3	1	1	2	1	1	1	11	1	1	1	2	0	1	1	1	0	9	2	3	1	0	0	0	1	0	1	2	0	0	3	0	2	0	6	3	0	4	1	0	3	0	0	1	1	2	0	3	2	0	1	0	1	2	2	0	0	0	0	0	1	5	3	4	0	3	1	0	7	2	3	1	1	0	2	0	1	1	1	1	0	2	0
+Siduron	2	0	1	1	2	0	1	0	1	0	1	0	4	2	3	0	1	0	0	0	0	4	0	1	2	0	2	1	1	3	0	0	1	0	0	1	0	5	2	2	0	0	1	0	0	1	0	0	3	0	1	0	1	3	1	5	2	0	2	0	0	1	5	2	0	1	1	2	1	0	0	1	6	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	5	0	0	1	0	0	0	2	0	1	3	0	0	0	0	0	1	1	0	0	0	0	0	1	6	2	4	0	2	0	0	1	1	1	2	0	2	2	0	1	1	1	1	0	1	2
+Bendiocarb	0	2	1	2	3	0	2	0	1	0	1	0	3	0	5	0	0	0	1	2	1	1	0	1	0	0	1	1	0	0	1	1	1	0	0	1	0	3	0	0	0	1	0	0	0	1	0	0	2	3	0	1	0	5	1	1	0	0	3	1	0	1	8	1	2	0	2	0	0	2	0	0	5	3	2	0	3	0	0	2	0	0	4	0	0	2	1	2	0	2	4	0	3	0	2	2	0	0	2	1	0	0	1	1	1	1	0	1	1	1	1	0	0	0	1	1	1	3	5	0	1	0	0	0	2	3	1	2	1	1	0	1	1	2	1	0	0	0
+Bifenazate	7	4	4	3	12	3	5	1	4	5	1	1	18	7	23	2	4	3	6	7	7	7	6	6	4	0	4	2	8	0	9	4	6	5	6	14	6	17	2	5	5	10	2	2	2	3	5	4	16	10	1	2	2	35	12	10	1	2	25	3	5	6	31	7	8	3	3	0	1	2	1	0	33	12	6	4	2	1	2	3	1	9	2	1	3	5	4	6	4	7	7	3	22	3	2	2	1	0	3	3	2	9	6	13	1	1	0	1	1	10	1	1	0	0	2	5	15	9	9	2	3	3	3	3	2	8	2	4	4	15	3	2	4	4	5	1	1	7
+Carbofuran	7	4	1	3	6	7	2	0	4	1	3	3	7	4	8	0	1	0	4	3	4	7	1	1	0	0	1	2	1	3	2	0	4	1	2	0	2	5	4	4	0	4	0	1	0	2	3	2	2	2	1	0	1	13	5	13	0	1	12	1	0	2	12	5	7	2	1	1	0	0	0	0	12	3	1	0	1	0	0	0	0	1	0	0	0	1	2	1	0	1	1	0	5	1	0	3	0	1	1	0	1	1	4	9	0	1	0	1	4	3	3	0	0	0	0	1	15	4	14	0	3	1	3	3	5	7	4	4	2	7	0	2	2	2	3	1	0	4
+Cycluron	4	2	2	1	7	1	3	0	1	2	0	0	9	7	0	0	5	0	3	3	4	2	0	4	3	0	2	0	3	0	3	3	4	1	2	6	2	7	0	1	1	1	0	1	1	1	2	0	2	0	1	0	0	5	3	3	0	0	13	0	1	3	13	2	4	2	1	1	0	0	0	2	14	3	0	1	1	1	0	0	0	4	0	0	0	1	3	3	2	3	3	1	9	0	0	0	0	0	0	1	0	6	4	4	0	0	0	0	0	3	0	0	0	0	1	0	2	8	3	1	1	0	0	2	0	0	0	3	2	6	0	0	1	1	1	0	0	1
+Diethofencarb	4	6	3	5	5	3	5	0	1	1	2	0	8	3	16	0	1	0	3	5	3	2	2	2	1	0	2	2	1	1	2	0	2	1	2	2	1	9	1	4	1	5	2	1	1	1	5	3	9	3	1	2	3	9	6	8	3	3	9	3	2	2	20	8	3	2	3	3	1	2	1	1	17	5	5	1	2	1	2	4	0	3	3	0	1	10	2	4	2	7	4	1	13	4	1	6	1	0	3	3	5	1	3	5	2	0	1	1	1	4	2	1	1	0	1	4	5	11	9	2	2	4	4	3	4	3	2	4	0	10	6	3	2	5	5	2	2	3
+Diflubenzuron	2	0	0	1	1	0	1	0	0	0	0	0	5	3	0	1	1	2	1	2	1	1	1	3	2	0	2	0	2	0	2	2	1	1	1	3	2	4	1	1	0	1	0	0	0	0	0	0	0	1	0	0	0	4	2	1	0	0	2	1	1	3	7	0	0	0	1	0	0	0	0	0	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	2	0	0	0	0	0	0	0	0	1	3	3	0	0	0	0	2	0	1	0	0	0	0	0	2	1	3	0	2	0	0	0	2	1	0	1	1	1	0	0	0	0	1	0	0	0
+Fenobucarb	3	2	0	1	3	2	0	0	1	1	0	0	3	1	5	0	0	0	3	1	1	3	1	0	1	0	0	0	0	1	0	0	2	1	1	0	0	2	3	3	0	0	0	0	0	1	0	0	3	0	1	0	0	5	3	6	0	0	6	1	0	1	3	4	4	1	0	1	1	0	0	0	5	0	1	0	1	0	0	1	0	1	1	0	0	0	2	1	0	0	0	0	2	0	1	2	0	0	0	0	0	0	2	0	0	0	0	0	1	0	1	0	0	0	0	0	8	2	6	0	2	1	2	1	3	4	1	2	2	4	0	0	1	1	2	0	0	2
+Dioxacarb	5	5	2	6	4	3	1	0	4	0	0	0	6	3	8	0	2	0	2	2	0	4	1	0	2	0	2	0	0	2	1	1	1	1	0	0	0	6	6	4	0	0	1	0	0	0	2	1	3	1	1	1	0	10	6	12	1	0	9	1	0	1	8	3	4	3	1	2	1	0	0	0	8	1	0	0	1	0	0	1	0	0	0	0	0	1	2	2	0	1	1	0	6	0	0	2	0	0	1	1	1	0	3	2	0	1	0	0	3	2	1	0	0	0	0	1	12	4	8	0	4	1	2	1	6	5	3	6	2	6	0	1	2	1	4	1	0	4
+Promecarb	3	2	0	1	5	2	2	0	1	1	2	0	5	2	8	0	0	0	3	1	3	3	1	1	0	0	0	1	0	1	0	1	3	1	1	0	1	2	2	3	0	3	0	0	0	1	1	0	3	0	1	0	1	8	4	7	1	0	8	1	0	1	2	5	4	1	0	1	0	0	0	0	6	1	1	0	2	0	0	1	0	1	1	0	0	0	2	1	0	0	0	0	2	0	1	3	0	0	0	0	0	0	0	2	0	1	0	0	1	1	1	0	0	0	0	1	9	1	7	0	0	1	2	1	1	5	2	4	2	4	0	1	2	0	2	1	1	1
+Fenoxycarb	5	3	3	2	6	0	1	0	4	4	2	0	13	7	7	4	3	0	2	4	4	7	4	4	2	0	3	2	5	2	1	4	5	3	4	8	4	10	1	3	1	3	3	1	1	1	2	3	6	2	1	1	0	17	8	5	1	1	7	2	4	3	20	3	7	3	2	3	1	0	0	1	20	6	2	0	0	0	1	1	1	4	0	0	1	0	4	1	2	3	1	1	13	3	0	0	0	0	0	5	1	7	2	8	1	0	2	0	2	6	1	0	0	0	0	3	11	7	8	1	1	1	0	1	2	2	1	4	3	10	0	1	2	1	2	0	2	1
+Indoxacarb	12	6	5	11	9	17	7	3	11	3	3	6	23	12	37	3	5	1	13	4	17	20	4	7	3	0	6	6	8	9	5	7	7	2	6	11	4	18	11	13	0	13	3	1	4	6	4	4	14	10	2	3	7	39	8	18	0	6	29	4	8	10	40	18	10	8	5	3	8	3	0	4	41	16	22	6	1	1	2	4	3	7	4	1	6	12	4	6	5	18	7	2	24	5	4	5	4	2	3	6	12	4	5	14	4	1	1	0	4	7	6	1	1	0	3	8	12	13	12	3	5	3	1	3	7	6	7	8	5	17	7	3	9	13	8	9	3	13
+Iprovalicarb isomer 1	8	3	1	3	6	5	2	0	4	2	1	2	12	10	6	4	2	3	3	3	8	7	1	4	2	0	0	0	3	2	1	3	6	1	2	6	2	9	2	4	0	11	0	0	1	2	2	0	3	0	2	0	1	10	6	8	1	1	17	1	2	3	12	6	5	3	3	1	1	0	0	1	10	3	4	0	0	0	0	0	0	3	0	0	1	1	2	1	0	2	0	2	8	2	0	0	0	1	0	1	0	3	4	10	0	0	0	0	3	4	2	0	1	0	1	1	11	7	11	0	1	1	0	1	1	4	1	4	5	8	0	0	2	2	2	0	1	4
+Ametryn	9	2	3	4	10	1	3	1	4	3	5	2	18	7	15	1	2	2	2	6	7	8	3	7	4	0	5	4	9	1	4	5	8	4	4	11	5	15	2	2	4	9	2	1	2	5	5	7	13	6	2	3	3	20	8	8	3	4	16	2	2	4	33	6	2	5	2	5	0	2	2	7	35	12	5	2	1	1	2	3	2	7	2	1	4	4	2	6	4	11	6	2	26	5	1	2	2	0	2	4	5	7	4	13	1	1	0	2	4	8	4	0	1	0	2	5	18	14	11	3	5	4	0	3	4	3	3	3	3	12	3	1	0	6	3	1	4	3
+Azoxystrobin	8	4	1	3	5	3	2	1	5	3	2	5	8	5	16	1	2	2	3	4	5	6	2	3	0	0	0	3	5	2	3	3	9	1	2	8	2	11	2	3	3	4	4	2	1	1	5	1	20	3	2	1	1	19	4	5	3	2	24	1	4	1	19	5	7	2	2	1	1	1	0	4	15	5	5	2	0	0	1	1	1	7	1	2	4	6	1	3	0	3	2	1	12	6	1	1	0	0	1	1	3	2	2	12	0	1	2	2	4	1	1	3	0	1	1	2	6	4	8	2	3	4	2	1	2	3	2	3	1	10	2	2	5	5	8	3	4	6
+Benalaxyl	6	2	0	5	4	7	3	0	3	1	2	2	5	5	10	1	1	0	4	2	8	10	1	1	1	0	0	1	1	4	1	1	1	2	3	1	2	6	4	7	0	10	1	0	0	2	1	0	0	2	0	0	2	9	4	8	3	1	12	1	2	1	11	5	4	1	0	2	2	0	0	1	7	3	10	1	0	0	1	0	0	2	1	0	2	0	2	1	2	4	1	0	5	3	0	5	0	1	0	0	5	1	5	5	0	3	0	0	1	3	2	0	0	0	0	4	18	5	6	0	1	1	2	1	2	3	2	1	1	6	0	1	2	3	4	2	2	2
+Benzoximate	3	2	2	3	5	0	3	0	1	2	3	1	6	3	10	2	1	3	1	4	1	2	2	2	2	0	0	1	6	0	4	2	3	1	3	6	1	10	2	0	0	5	2	0	1	1	4	1	9	4	0	1	1	18	4	2	0	1	10	1	2	2	7	4	2	2	2	0	0	0	0	0	16	5	2	2	1	1	1	0	0	9	0	0	0	2	3	4	2	4	5	0	11	2	0	0	0	0	0	0	1	1	2	4	0	1	0	1	0	4	0	1	0	0	0	0	3	4	4	1	1	0	2	0	2	1	1	2	1	9	4	1	0	4	3	2	0	3
+Boscalid	4	2	0	4	6	3	3	0	3	1	2	1	8	4	6	2	1	0	2	2	7	11	0	2	0	2	1	0	5	3	3	3	4	0	3	3	1	10	1	1	0	8	3	0	1	2	3	2	7	4	0	1	0	15	1	3	0	2	16	2	2	5	19	1	2	2	1	0	0	2	1	1	17	4	9	2	1	0	1	1	2	6	2	1	0	2	1	2	1	8	2	1	13	0	0	1	0	0	0	1	4	1	3	5	0	2	1	0	0	2	0	1	2	1	1	2	4	4	6	0	5	2	3	0	3	2	1	1	1	4	2	2	3	5	7	3	4	0
+Butafenacil	0	0	1	0	1	0	2	0	0	0	0	0	0	0	4	0	1	0	0	1	0	0	1	1	0	0	0	0	0	0	1	1	0	0	0	2	1	0	0	0	0	0	0	0	0	0	1	1	4	1	0	0	1	5	1	0	0	1	3	0	1	1	3	0	1	0	0	0	0	0	0	0	4	0	1	0	1	0	0	0	0	1	0	0	0	2	1	0	0	0	1	0	4	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	1	1	1	0	0	1	1	1	4	1	0	0	1	0	0	2
+Carbetamide	4	1	0	2	2	1	0	0	2	1	1	0	4	5	3	0	0	0	1	0	1	3	1	1	2	0	1	0	1	1	1	0	1	1	0	0	0	4	4	2	0	1	0	0	0	1	0	0	2	1	0	0	0	3	3	10	0	1	4	1	0	0	6	2	2	2	1	1	1	0	0	0	6	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	2	0	0	4	0	0	0	0	0	0	1	0	0	2	0	0	0	0	0	1	1	1	0	0	0	0	0	10	1	4	0	2	0	1	2	2	2	5	2	2	3	1	1	0	1	1	0	1	3
+Carfentrazone-ethyl	3	0	2	4	3	4	6	4	1	1	4	2	10	7	16	1	1	2	6	4	4	1	2	5	4	1	0	2	2	2	3	2	6	3	2	7	2	7	4	1	3	10	6	1	0	2	4	5	18	2	3	0	1	36	6	8	1	2	20	2	2	1	12	5	5	4	2	1	6	0	0	2	17	4	9	1	3	2	0	1	0	3	1	3	0	5	3	2	3	10	1	3	17	2	2	2	1	1	0	0	1	1	2	3	0	3	1	1	1	4	2	1	0	0	1	4	9	8	4	4	2	3	4	1	4	2	2	6	2	5	7	4	5	12	8	2	3	6
+Fenhexamid	2	5	1	3	3	2	3	1	1	0	0	3	9	4	12	1	1	1	2	2	1	3	0	2	2	0	0	2	3	1	1	2	5	1	5	3	1	10	2	5	0	1	3	1	0	0	5	2	9	0	3	0	4	15	2	2	1	0	9	2	1	1	13	9	3	2	2	1	3	1	2	2	14	5	9	1	0	1	0	1	0	2	2	1	2	2	1	2	1	4	0	1	8	3	0	2	0	0	1	1	1	1	2	7	2	1	1	1	1	1	1	0	0	0	0	0	0	4	11	1	1	1	2	2	3	1	0	1	3	5	3	3	3	8	4	3	3	3
+Flutolanil	1	1	1	1	2	1	2	1	1	0	0	3	2	0	1	0	0	0	1	1	1	0	1	0	0	0	0	0	0	1	2	1	1	1	0	0	0	0	0	0	0	2	0	1	1	0	1	1	0	2	1	0	0	2	0	0	0	0	3	0	0	1	4	1	2	1	1	0	2	0	0	1	1	2	1	0	1	0	0	0	0	0	0	0	0	2	0	0	2	1	3	0	5	2	0	0	0	1	1	0	2	0	2	4	0	0	0	0	1	0	1	0	0	0	0	1	1	0	2	1	2	0	1	0	1	0	0	1	0	1	0	0	0	3	1	0	0	1
+Furalaxyl	6	4	2	7	2	3	2	3	3	2	2	2	4	5	12	1	1	1	3	2	6	9	2	3	1	0	1	2	4	0	0	2	3	1	4	5	4	10	2	2	1	5	3	0	1	2	4	1	8	2	2	1	0	14	5	8	1	0	15	1	2	0	20	4	7	4	0	2	3	1	1	1	19	3	5	0	0	0	0	4	0	4	5	0	2	3	1	3	0	6	2	2	13	3	0	0	0	1	1	0	4	3	5	9	0	1	1	1	1	4	3	0	1	0	0	1	13	4	11	3	2	2	1	2	4	5	2	2	1	10	1	1	2	5	2	2	0	3
+Kresoxim-methyl	4	4	1	3	3	3	1	0	3	1	1	2	6	7	9	2	1	1	4	1	6	9	1	1	1	0	0	1	1	1	0	2	4	1	3	2	2	6	1	4	0	7	0	0	0	2	2	0	2	2	0	1	0	7	3	9	1	1	17	0	2	1	10	6	7	1	0	0	3	0	0	0	15	4	5	0	1	0	0	0	0	3	0	0	1	1	1	2	2	1	0	0	4	0	0	1	1	1	0	0	2	1	2	9	0	0	0	0	3	3	2	0	0	0	0	1	8	6	9	0	1	0	1	1	1	5	3	3	2	8	0	0	3	4	3	0	2	4
+Mepanipyrim	0	1	0	1	0	1	0	0	1	0	0	1	0	0	4	0	1	0	0	0	3	4	2	0	0	0	0	0	0	0	0	2	0	1	0	1	0	0	1	1	0	0	0	0	1	2	0	0	1	1	0	1	1	3	2	1	0	1	3	0	2	2	2	2	1	1	0	0	2	0	0	1	5	2	6	1	1	0	0	0	0	0	1	0	2	2	1	1	1	1	0	0	3	1	1	0	1	0	0	0	4	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	2	2	1	2	1	1	0	0	3	0	0	0	2	2	0	0	2	1	1	2	0	1
+Mepronil	2	1	0	1	1	0	0	2	0	0	1	1	1	4	5	0	0	0	0	0	2	3	1	1	1	0	0	0	1	1	1	0	1	1	2	3	0	2	2	2	1	4	1	0	0	3	1	1	5	1	0	0	0	1	2	5	0	1	9	2	1	0	5	1	3	3	0	0	2	0	1	1	9	1	1	0	0	1	0	1	0	1	1	1	1	1	0	1	0	3	1	0	4	0	0	0	0	0	0	0	2	1	2	2	0	3	0	1	1	2	0	0	0	0	0	2	5	4	2	1	1	0	1	0	0	0	1	1	3	5	0	1	2	6	2	1	0	3
+Metalaxyl	16	6	5	8	11	14	6	1	10	5	3	8	26	14	14	5	6	3	9	6	17	18	4	9	5	0	4	4	8	12	6	6	6	2	8	12	6	28	8	11	0	18	4	3	1	6	6	2	5	4	2	0	3	21	9	15	4	4	36	2	7	7	35	10	10	7	5	2	2	1	1	4	32	11	16	4	1	1	0	1	0	11	0	2	2	6	6	2	3	8	6	3	23	3	1	2	1	1	1	4	5	6	8	23	2	1	1	1	6	7	4	1	1	0	2	4	35	22	19	1	4	3	2	6	6	5	6	6	4	14	1	1	4	5	7	2	2	9
+Myclobutanil	10	2	2	7	10	8	6	1	4	6	1	5	17	7	31	3	8	3	9	6	11	13	2	7	2	0	4	4	8	5	4	6	7	1	3	11	6	17	8	5	1	8	1	1	3	4	4	3	14	9	1	1	3	28	6	9	1	2	25	1	7	6	28	10	8	2	2	1	0	1	0	1	37	10	13	2	2	1	1	4	1	7	3	0	3	4	4	3	4	7	5	2	24	3	2	4	1	1	1	2	4	3	6	13	3	1	0	0	2	6	1	0	1	0	2	5	5	9	8	2	2	4	1	2	3	7	3	6	4	12	4	4	4	2	3	4	1	6
+Oxadixyl	8	4	2	6	7	12	5	2	5	3	2	4	8	11	15	5	3	0	5	3	7	11	3	0	1	0	1	2	5	3	3	3	3	1	4	6	4	10	5	6	1	12	1	1	1	2	2	3	7	4	1	1	1	19	8	16	2	3	20	4	5	3	20	7	10	2	2	1	2	0	0	2	22	0	6	1	0	0	1	2	0	5	0	2	2	3	2	3	1	6	1	0	12	2	0	1	1	1	0	2	2	1	4	12	1	1	0	0	5	8	2	0	1	0	1	4	19	9	16	1	4	0	1	2	3	7	5	2	2	13	2	1	4	7	3	1	2	9
+Picoxystrobin	11	5	3	4	7	6	3	2	7	2	1	7	15	10	14	5	3	2	9	5	12	13	2	6	0	0	1	4	7	6	6	3	6	2	3	8	3	14	0	8	1	13	3	2	1	4	2	0	7	5	2	0	2	19	6	8	2	4	25	2	4	4	16	9	8	1	1	0	2	0	0	2	19	7	12	2	1	0	0	0	0	7	0	2	2	2	3	1	3	1	3	1	10	3	0	2	0	1	0	0	2	1	4	15	1	0	1	0	5	4	5	0	0	0	1	1	12	6	14	1	1	2	1	1	1	6	3	4	3	9	0	2	3	4	2	0	1	4
+Piperonyl butoxide	8	2	0	5	5	9	3	0	3	1	2	3	9	6	12	1	2	0	7	2	3	10	1	0	0	0	0	3	2	5	2	1	2	1	3	0	3	7	4	8	0	6	0	1	1	2	1	0	3	3	0	0	1	17	4	11	1	0	16	1	1	2	10	9	8	1	1	0	0	0	0	0	13	0	4	2	1	0	0	0	0	3	0	0	1	0	1	1	1	2	0	0	5	2	0	4	0	1	0	1	0	1	4	8	0	1	0	0	3	4	2	0	0	0	0	2	18	2	12	0	1	1	2	1	3	7	3	4	2	8	0	3	5	2	2	2	1	4
+Prometon	4	1	5	4	11	2	4	1	3	4	3	1	8	6	8	1	3	1	2	5	2	6	1	5	4	0	5	2	5	1	2	4	5	0	2	8	2	12	1	1	2	4	0	2	2	1	5	4	3	3	1	1	1	12	5	3	1	1	10	1	4	4	26	5	3	6	3	2	0	1	1	4	25	10	3	0	2	0	1	3	0	2	1	1	4	4	5	2	1	4	5	2	18	2	0	1	1	0	1	3	4	7	8	6	0	0	0	1	2	4	1	0	1	0	2	2	5	10	9	2	5	1	0	5	3	0	1	4	1	7	1	1	2	0	1	2	3	2
+Pyracarbolid	0	2	0	1	3	0	1	0	1	0	0	1	2	0	3	0	0	1	0	1	1	0	0	0	0	0	0	1	0	0	1	1	1	0	0	0	0	3	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	4	1	2	0	0	4	0	1	1	5	3	1	0	3	0	0	1	0	0	3	1	2	1	2	0	0	0	0	1	1	0	0	1	0	1	0	1	2	1	2	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	3	1	3	0	0	0	1	2	0	1	0	2	0	2	0	0	0	1	1	0	0	0
+Pyrimethanil	2	1	0	1	0	0	0	0	1	0	0	0	2	1	0	0	0	0	1	1	1	1	3	0	1	0	0	0	1	0	2	1	0	3	2	2	0	3	1	1	1	2	1	0	0	1	1	1	1	1	0	1	0	5	4	2	0	0	7	2	3	1	7	2	3	0	1	0	1	0	1	0	5	0	0	2	0	0	0	0	0	5	0	0	1	2	1	2	0	3	2	0	4	0	0	0	0	0	0	0	1	3	2	3	0	0	0	0	0	1	1	0	0	0	0	0	6	3	1	0	1	0	1	0	0	0	0	0	1	3	0	1	0	2	0	0	0	2
+Pyriproxyfen	2	3	1	1	3	0	0	0	1	1	3	0	6	2	5	1	2	0	1	3	2	3	2	5	1	0	1	3	3	0	1	3	4	2	4	4	3	8	0	1	0	2	2	0	1	2	2	0	4	1	0	0	1	7	4	7	0	0	6	1	2	2	11	2	3	0	2	1	0	1	0	1	9	3	0	0	1	0	0	0	0	3	1	0	0	2	1	1	0	2	2	0	4	2	0	1	0	0	1	2	2	3	1	4	0	1	0	0	0	4	2	0	1	0	0	2	10	4	5	0	0	0	1	3	0	0	2	1	1	9	0	2	0	4	1	0	1	1
+Quinoxyfen	0	1	1	2	4	6	3	0	3	0	2	2	5	3	11	1	4	0	0	1	1	4	1	2	2	0	1	2	1	2	1	4	1	1	3	8	0	10	1	1	1	5	2	2	1	2	2	1	5	0	2	1	2	16	2	1	2	3	8	1	4	2	13	3	4	3	1	2	3	0	1	1	10	2	2	2	0	1	0	0	1	3	1	0	1	5	2	2	0	4	0	1	10	2	1	2	2	0	1	3	4	4	3	4	1	1	0	0	2	1	0	0	1	0	0	3	2	5	4	1	1	1	1	3	4	1	1	3	3	4	6	2	1	3	3	3	3	2
+Triadimefon	7	2	4	3	5	3	3	2	5	3	1	2	14	8	14	2	3	1	3	5	6	10	1	3	1	0	3	2	8	3	2	6	5	1	2	14	2	12	1	1	2	8	2	0	2	3	2	2	11	4	1	2	2	12	6	2	2	2	15	2	4	3	28	5	5	5	2	1	1	0	0	5	27	6	5	2	1	0	0	3	1	4	0	2	2	6	5	1	2	7	5	2	22	3	0	0	1	0	0	5	2	5	6	9	2	1	0	1	2	4	1	0	0	0	1	2	6	10	6	1	2	4	0	2	1	2	1	3	3	9	2	0	1	4	2	2	1	4
+Trifloxystrobin	9	4	2	3	7	6	4	0	5	2	2	5	12	9	14	2	3	1	7	3	8	13	0	4	0	0	0	3	2	5	3	4	6	0	4	5	3	10	2	2	0	13	0	2	0	4	3	2	5	5	0	1	0	20	4	8	3	1	25	0	1	2	20	5	8	1	1	1	1	1	0	2	17	8	7	0	2	0	0	1	0	7	3	1	1	3	2	3	1	3	4	1	10	4	3	2	0	1	0	0	2	1	5	17	0	0	1	0	5	3	2	0	0	0	1	2	11	6	12	1	2	1	1	0	4	6	3	5	3	7	1	0	4	4	0	1	1	4
+Zoxamide	0	0	1	1	2	2	2	3	1	1	1	1	5	5	9	0	1	0	2	2	2	1	2	1	2	0	1	1	0	2	2	1	2	1	0	2	0	6	0	1	0	6	1	0	2	0	1	0	2	2	2	0	0	11	0	1	2	1	6	1	2	0	6	2	1	1	3	3	0	2	0	2	7	3	1	0	0	0	0	0	0	0	1	0	1	2	0	1	0	3	1	0	8	2	0	1	0	0	4	3	1	0	0	1	0	0	0	0	1	1	1	0	0	0	0	2	1	2	2	0	1	0	0	1	2	1	0	1	1	1	1	0	2	0	1	1	0	0
+Secbumeton	3	1	3	1	10	1	3	1	1	4	1	1	9	5	8	1	3	0	1	6	1	4	0	1	3	0	3	3	4	1	2	4	3	1	2	6	2	10	1	1	3	2	3	0	1	2	4	3	4	5	1	1	1	11	5	4	2	1	7	0	4	0	23	4	1	5	1	1	0	1	1	3	21	5	2	0	2	1	1	3	1	3	1	1	2	3	3	2	4	4	3	2	16	0	0	1	1	0	1	3	2	6	4	4	0	0	0	0	0	5	2	0	0	0	1	4	4	10	7	2	3	2	1	2	1	1	3	4	0	7	1	2	2	2	1	1	2	1
+Fenazaquin	5	0	0	1	2	3	1	0	4	3	0	4	4	5	3	4	1	1	1	1	4	6	1	1	0	0	0	2	3	0	1	1	4	1	2	3	2	7	0	2	0	6	1	1	1	1	1	0	1	1	1	0	0	6	1	1	0	0	9	0	2	0	9	2	5	1	1	0	0	0	0	0	7	2	2	0	0	0	0	0	0	4	0	0	1	0	1	0	0	1	0	0	3	1	0	0	0	1	0	1	0	1	1	11	0	0	0	0	1	4	2	0	1	0	0	0	7	3	9	0	0	0	1	0	0	4	1	1	1	5	0	0	1	2	0	0	0	3
+Spiroxamine_isomer1	1	0	1	0	2	1	0	0	0	2	0	1	3	2	0	0	2	1	1	2	3	1	0	1	1	0	0	0	3	0	1	0	1	0	1	2	0	4	0	0	1	1	0	1	0	0	0	0	1	0	0	0	1	1	0	0	0	0	6	0	0	1	3	2	1	1	0	0	0	0	0	1	3	1	1	0	1	0	0	0	0	2	0	0	0	2	1	1	0	1	2	1	4	1	0	0	0	0	0	0	0	2	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	3	0	0	0	1	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0	0
+Spiroxamine_isomer2	1	0	3	2	2	3	1	0	4	3	0	2	6	5	1	0	2	1	2	2	5	3	0	2	2	0	1	0	3	2	2	0	2	0	2	4	0	9	0	0	1	3	1	1	0	1	0	0	3	0	0	0	1	1	1	1	1	1	9	0	0	2	6	2	3	4	0	1	0	1	0	1	4	3	1	1	1	0	0	0	0	3	0	0	0	2	3	1	0	1	3	1	5	1	0	0	0	0	0	2	0	2	1	1	0	0	0	0	0	0	1	0	0	0	2	0	3	6	1	0	0	2	0	1	0	0	0	2	0	1	0	0	0	0	1	0	0	0
+Amitraz	8	4	3	5	5	11	3	0	5	2	1	5	9	9	6	2	1	1	6	3	7	10	1	1	0	0	0	2	4	4	1	2	5	1	4	2	2	9	6	5	0	9	0	1	1	2	2	0	3	2	1	0	1	10	5	14	1	1	20	1	1	0	10	7	8	2	0	3	2	0	0	3	12	3	3	0	1	0	0	1	0	2	0	0	0	3	1	1	2	3	0	0	7	2	0	1	0	1	0	0	2	1	2	12	1	1	0	1	5	4	4	0	0	0	1	2	15	8	12	0	1	1	3	1	3	6	4	4	2	9	1	1	2	2	3	0	1	4
+Tebufenpyrad	11	3	3	3	5	7	3	1	6	2	2	7	14	9	9	3	3	2	8	3	10	11	3	2	1	0	2	5	5	4	4	5	6	3	4	6	4	13	2	5	0	13	1	2	2	3	2	0	7	3	0	0	1	20	3	11	4	3	31	1	1	1	20	9	13	1	1	1	4	0	0	3	25	5	4	2	1	1	0	0	0	5	0	1	0	2	2	2	3	5	1	0	11	3	1	1	1	1	0	1	2	2	4	17	0	0	2	1	5	6	7	0	1	0	1	4	16	8	14	0	2	3	3	2	1	6	4	5	2	10	0	0	2	5	1	0	2	4
+Fludioxonil	4	3	2	3	6	2	1	1	2	4	1	1	8	2	8	1	2	0	4	3	3	4	2	2	1	0	1	1	4	0	2	1	1	1	2	9	1	7	0	1	1	1	1	0	1	1	1	2	7	1	1	0	2	6	3	3	1	4	8	0	3	2	10	3	3	1	1	1	0	0	0	3	9	4	4	1	1	1	0	1	0	2	0	0	1	1	5	1	1	1	3	2	9	0	1	0	1	0	0	1	0	5	2	3	1	0	0	0	1	2	0	0	0	0	1	0	2	4	3	1	0	1	0	0	1	2	2	3	3	4	1	1	0	1	0	0	0	2
+Terbumeton	4	1	6	2	13	1	4	1	6	5	1	1	11	7	10	1	3	1	3	4	3	2	0	3	5	0	3	3	4	2	3	3	4	0	3	7	3	14	1	3	2	4	2	1	0	2	5	3	4	5	0	0	1	12	5	2	2	1	10	0	4	2	27	3	4	7	2	1	0	1	1	2	25	6	4	1	2	1	1	1	1	5	1	1	3	2	6	3	3	5	5	2	18	1	0	1	1	0	1	4	2	7	6	5	0	0	0	0	1	6	1	0	0	0	2	4	8	14	7	1	2	2	0	5	1	1	3	5	0	10	0	1	3	2	2	1	2	2
+Rotenone	8	4	1	6	10	7	6	0	4	2	2	2	9	5	16	2	2	1	7	3	4	8	2	2	2	0	2	4	5	3	1	2	3	1	4	3	0	13	6	7	0	5	0	0	1	1	2	2	7	1	0	0	2	15	6	13	3	1	16	3	2	2	20	12	5	2	1	1	1	3	1	1	23	5	7	4	2	1	1	1	1	3	2	1	2	3	3	2	1	4	2	1	8	3	1	4	2	0	2	4	5	2	6	8	1	1	2	2	7	3	2	0	0	1	1	3	23	7	15	1	5	2	4	3	4	6	5	5	2	12	1	3	11	2	3	5	6	6
+Enilconazole	5	2	3	4	8	6	2	2	1	2	2	0	11	7	18	0	3	1	3	1	9	10	3	3	0	0	0	1	4	3	1	2	5	2	2	5	1	6	5	5	0	10	1	0	3	1	0	2	7	3	2	0	1	17	4	8	1	4	19	1	1	2	19	7	4	1	3	1	1	0	0	2	19	5	11	1	2	0	1	0	1	3	0	1	1	2	3	0	1	4	2	2	17	1	0	1	0	0	2	3	4	2	3	5	3	1	2	0	2	2	0	0	0	0	1	4	3	4	4	0	2	3	2	1	7	2	3	6	4	6	2	1	5	1	4	1	3	1
+Acibenzolar-S-methyl	5	4	1	5	6	1	4	0	4	2	4	1	5	0	16	1	1	0	0	2	1	0	0	2	0	0	2	2	1	1	0	3	3	0	2	3	1	3	3	3	0	0	1	0	0	0	3	5	6	0	0	0	1	13	5	7	0	2	5	2	1	0	10	3	1	3	0	0	0	0	0	0	15	6	4	0	2	0	0	0	1	1	0	0	1	0	4	1	2	2	3	0	12	0	0	0	0	0	0	0	2	0	5	3	4	1	1	1	2	1	0	0	0	0	0	3	6	1	9	1	3	1	2	2	7	4	4	7	0	7	2	1	2	1	1	1	2	4
+Bupirimate	4	3	0	4	7	4	3	0	3	1	6	1	10	3	12	0	0	1	4	3	5	4	1	3	4	0	5	1	3	1	2	3	3	1	3	3	4	11	6	6	0	8	1	0	2	5	2	4	8	6	3	1	2	19	4	13	0	1	8	3	2	4	28	3	2	4	2	2	1	1	0	1	28	5	11	1	2	1	0	4	1	3	2	1	2	3	1	7	2	8	4	1	15	3	2	4	1	0	3	1	5	3	4	6	2	1	5	3	5	5	1	0	0	0	1	5	22	11	5	2	4	3	2	7	3	5	3	6	2	7	2	3	1	4	4	3	4	5
+Buprofezin	14	5	4	9	15	7	1	1	8	6	4	3	26	16	19	4	5	1	14	3	14	16	3	7	2	0	0	6	7	9	3	7	5	2	3	9	3	18	8	10	1	12	3	2	3	4	4	1	10	5	1	0	2	20	6	12	4	2	29	2	5	3	32	15	10	5	5	1	1	1	0	5	26	12	9	1	2	1	0	0	1	6	2	2	4	2	2	2	2	5	2	2	14	1	3	1	2	1	2	5	2	6	6	13	0	0	1	0	6	5	4	0	1	0	1	3	27	11	17	1	5	2	3	4	3	7	6	7	5	14	1	1	3	3	4	2	4	8
+Carboxin	3	1	0	0	2	3	0	0	2	0	1	4	4	4	3	1	0	3	5	1	6	4	1	0	2	0	0	0	2	3	1	1	4	1	3	2	0	6	2	5	0	5	1	2	0	0	0	0	1	2	0	0	1	8	2	4	0	0	13	0	0	0	5	4	4	0	0	0	2	0	0	0	9	2	4	0	0	0	0	0	0	3	1	0	0	2	0	1	0	2	0	0	5	2	0	0	1	0	0	1	2	1	3	2	0	0	0	0	1	1	2	0	0	0	0	1	5	3	4	0	1	1	1	0	1	1	2	0	1	4	1	0	2	2	2	1	0	2
+Ethofumesate	7	7	2	8	8	8	4	1	5	2	2	2	9	9	15	2	1	1	3	1	5	6	1	2	2	0	1	2	2	4	0	0	5	1	3	1	3	10	6	5	1	7	1	0	1	1	5	3	8	1	1	0	2	16	6	15	2	2	16	3	1	2	14	8	6	2	0	2	1	0	0	0	19	7	5	0	1	0	1	1	0	2	0	0	2	0	4	3	1	5	0	0	9	2	0	4	0	0	1	1	4	0	3	10	1	2	1	1	6	3	1	0	1	0	1	3	17	7	17	0	4	3	3	3	9	6	4	6	2	11	2	2	4	5	5	3	3	5
+Fenamidone	6	3	3	3	4	6	2	2	6	2	2	1	8	5	18	1	2	1	3	1	3	11	2	1	2	0	2	2	5	4	0	2	2	2	3	10	1	9	4	6	1	8	5	2	1	2	4	0	8	4	1	2	0	13	6	11	3	0	16	3	4	1	18	6	7	7	2	2	7	0	2	1	22	3	6	0	1	1	0	2	1	3	3	0	2	5	2	3	1	6	1	2	8	2	1	3	2	1	1	5	3	2	7	8	0	2	0	1	4	4	2	1	0	0	0	2	10	7	8	1	3	1	2	2	6	4	4	3	5	10	2	1	6	7	11	5	3	9
+Fipronil	4	1	0	0	2	2	0	3	1	1	1	2	4	3	8	1	1	2	1	2	2	4	3	2	0	0	0	0	1	0	2	0	2	2	0	4	0	4	1	2	0	6	1	0	2	1	1	1	10	1	0	1	2	14	0	1	0	0	4	2	0	2	2	3	0	0	0	0	1	0	0	0	8	3	4	1	0	0	0	0	0	2	0	1	2	3	0	0	0	2	0	0	7	2	0	0	0	0	0	0	2	0	1	1	0	0	0	0	1	1	2	0	0	0	0	2	2	1	2	1	2	1	1	0	3	1	0	3	4	3	8	3	1	6	1	1	1	7
+Flufenacet	5	4	2	7	11	1	4	2	3	1	3	1	11	4	22	1	1	0	3	2	3	2	2	4	0	0	4	3	5	0	1	2	3	2	2	6	2	11	2	5	1	3	0	2	1	1	6	4	11	2	1	0	1	20	5	8	0	2	9	2	2	4	17	7	5	5	3	1	0	2	1	1	26	9	4	1	0	0	0	3	1	6	3	2	2	2	3	1	3	5	4	1	14	1	1	4	1	0	3	2	3	3	4	4	2	1	0	1	2	2	2	0	0	0	0	2	12	9	11	0	3	2	1	7	6	4	2	3	2	9	2	1	4	5	3	0	5	5
+Mefenacet	6	5	1	6	7	7	2	0	4	2	2	1	9	5	12	0	0	0	3	2	2	3	1	2	1	0	0	1	0	3	0	0	2	1	1	0	1	3	4	4	0	2	0	0	0	3	2	0	6	2	1	0	1	10	7	16	0	1	10	1	0	2	11	5	5	2	0	1	1	0	0	0	13	2	4	1	1	0	0	1	0	1	0	0	1	0	2	2	0	3	0	0	7	1	1	4	1	0	1	0	2	1	1	2	1	0	0	0	4	4	1	0	0	0	1	2	9	7	8	0	2	1	2	2	5	5	4	4	4	9	1	1	4	4	4	1	3	8
+Methoprotryne	4	0	2	1	5	1	2	3	1	1	1	1	10	2	11	1	3	2	3	7	3	3	4	8	4	0	2	1	5	1	4	6	5	5	3	9	4	13	1	1	4	10	2	1	2	3	3	4	13	4	1	3	1	24	11	4	4	3	18	3	4	2	32	3	3	1	4	2	3	1	2	5	29	6	4	3	0	1	0	3	0	6	5	1	4	6	0	6	2	7	7	2	24	3	2	2	0	0	1	2	4	6	5	10	0	2	1	3	2	7	1	0	1	0	0	4	15	9	5	3	1	4	2	5	1	4	2	2	3	5	3	1	1	4	3	1	2	2
+Metribuzin	4	1	0	1	4	2	3	0	0	2	2	2	6	2	9	0	2	1	5	2	5	1	0	4	0	0	2	2	5	0	2	4	2	1	4	4	3	8	0	1	2	2	1	1	0	1	4	4	5	1	0	1	1	10	2	3	2	2	13	2	3	1	14	2	5	0	1	0	0	1	1	2	16	5	5	1	1	1	0	2	0	6	2	1	1	2	3	2	2	3	5	2	11	1	2	2	0	0	0	0	1	3	4	9	1	0	1	1	0	3	1	0	0	0	0	1	9	5	6	0	0	4	0	4	2	3	2	2	1	5	2	0	1	0	0	0	1	1
+Prometryn	6	1	2	4	7	1	1	4	2	0	4	3	14	6	12	1	1	3	4	4	6	7	3	7	4	0	4	2	9	1	3	6	6	3	5	9	3	17	1	2	2	11	1	1	2	3	6	4	11	3	1	2	1	22	6	4	2	2	20	3	3	2	30	4	5	2	3	2	1	1	2	5	29	10	6	2	0	0	0	4	0	7	5	1	5	4	2	6	0	9	9	3	22	3	2	2	0	0	0	1	6	5	7	12	0	1	0	1	3	7	1	0	1	0	1	4	16	8	8	3	5	2	0	6	4	5	3	3	3	9	0	1	0	6	2	1	2	0
+Propargite_isomer1	5	4	1	5	4	3	4	0	2	0	4	2	10	5	11	2	1	0	7	0	5	7	1	1	2	0	0	3	3	3	1	4	4	2	4	0	2	6	2	4	0	10	0	1	1	2	3	2	2	2	0	0	1	14	5	9	2	1	16	2	1	1	10	8	5	0	0	2	0	1	0	1	15	3	2	1	2	0	0	1	0	2	0	0	0	2	2	1	2	1	0	0	6	1	0	2	1	0	1	2	3	3	3	11	1	1	1	0	5	4	1	0	1	0	1	1	21	3	15	0	3	1	3	1	6	5	5	4	2	8	0	1	2	0	2	1	3	3
+Propargite_isomer2	6	4	1	4	5	4	4	0	2	1	3	2	10	5	10	3	3	0	7	1	4	10	1	0	1	0	0	3	3	4	1	4	3	2	3	1	1	8	2	4	0	9	0	1	1	2	3	2	2	2	0	0	1	15	4	8	3	1	17	2	2	1	9	8	6	0	0	2	0	1	0	1	14	2	2	1	2	0	0	1	0	3	0	0	0	0	2	1	1	0	0	0	5	1	0	2	0	0	0	2	2	1	3	11	1	1	1	0	4	3	1	0	0	0	1	1	20	3	13	0	2	1	3	0	6	6	4	3	2	7	0	1	2	0	2	1	1	3
+Thiofanox	3	6	1	6	6	5	1	0	4	2	1	1	5	3	7	1	1	0	0	1	0	5	0	0	0	1	0	0	0	2	0	0	2	0	1	1	1	3	3	1	0	2	0	0	1	3	2	1	3	2	1	1	0	8	3	7	0	1	5	0	0	1	5	3	4	0	1	1	0	0	0	2	7	1	1	0	0	0	1	1	1	0	0	0	0	0	1	1	2	0	0	0	4	0	0	2	0	0	1	2	1	3	0	3	0	1	0	0	1	1	0	0	0	0	0	2	8	2	5	0	2	1	2	2	4	2	1	3	2	8	0	0	3	2	4	0	1	1
+Cyazofamid	5	3	1	3	8	6	2	2	1	2	3	3	11	5	21	1	3	3	1	6	9	6	5	4	1	0	4	2	8	4	4	3	3	2	1	12	3	11	5	3	3	4	2	1	1	2	3	3	19	4	0	2	2	24	2	10	0	2	17	1	2	5	24	5	3	4	3	0	1	0	1	1	20	11	16	2	3	1	1	3	0	5	2	2	2	5	1	2	3	7	6	2	13	2	1	0	1	0	1	0	6	3	2	4	2	3	1	1	1	7	2	1	0	0	0	3	15	6	2	3	3	2	2	4	3	3	1	5	3	9	2	3	7	7	2	3	3	10
+Ethiprole	11	7	7	11	15	11	9	6	7	4	9	6	30	14	48	6	6	4	14	10	12	15	7	9	6	3	5	7	6	13	8	10	10	5	8	22	4	29	11	13	3	25	9	2	3	10	6	7	38	8	3	2	5	55	17	24	6	6	42	7	9	9	60	17	14	5	4	4	9	2	3	8	52	19	19	3	5	3	3	4	1	14	6	4	5	10	6	7	9	19	9	5	36	5	2	7	1	0	5	8	10	13	11	16	4	5	6	2	5	14	4	2	1	1	3	11	48	22	16	4	9	6	11	10	11	6	7	11	8	24	10	7	12	26	16	7	9	14
+Pyridaben	6	0	0	2	1	2	2	0	2	2	1	2	5	5	2	0	0	0	3	1	6	6	1	1	0	0	0	2	3	1	2	0	3	1	2	1	2	6	1	2	0	5	2	1	1	3	1	0	2	2	0	0	0	8	2	7	1	0	16	1	0	1	9	3	5	1	0	0	1	0	0	0	10	1	2	1	1	0	0	0	2	2	0	0	0	2	2	0	0	1	0	1	7	1	0	0	1	0	0	2	0	1	0	7	0	2	0	0	3	5	2	0	0	0	0	1	5	2	11	0	0	0	2	0	0	4	4	4	2	4	1	1	1	1	1	0	2	4
+Thiabendazole	4	1	2	3	2	4	2	0	2	2	1	2	8	4	6	2	2	2	3	1	1	7	1	0	2	0	0	1	4	3	1	3	2	2	0	3	0	10	2	2	0	5	1	1	1	0	1	0	1	0	0	0	0	8	2	3	1	1	16	1	1	2	14	2	3	1	1	0	1	0	0	1	10	2	4	2	0	0	0	0	0	8	0	1	0	0	0	0	0	2	0	0	9	0	0	0	0	1	0	2	0	1	4	8	0	0	0	0	3	1	1	0	0	0	1	0	7	5	3	0	1	0	0	1	1	2	1	1	1	1	0	0	0	6	2	0	1	1
+Tricyclazole	6	4	3	4	7	7	3	0	1	1	4	0	3	7	13	0	2	0	2	1	3	7	0	2	1	0	0	4	1	5	0	2	2	0	2	0	3	5	5	2	0	6	1	1	0	1	3	1	2	2	1	0	1	9	6	14	1	1	11	1	0	2	9	5	4	1	0	1	2	0	0	0	12	3	4	0	1	0	0	1	0	3	0	1	1	1	2	0	0	1	0	0	6	1	0	2	0	0	0	0	2	2	1	6	2	1	1	0	2	1	3	0	0	0	1	2	10	5	6	0	2	1	1	3	5	2	3	6	1	10	2	2	4	2	2	1	2	5
+Simetryn	6	1	1	2	7	2	4	0	3	3	1	0	16	5	11	1	3	2	4	4	8	6	2	4	2	0	4	4	6	2	3	2	4	4	4	7	4	13	2	2	3	2	3	1	1	2	1	2	6	6	2	1	1	19	4	8	3	4	15	1	2	4	26	3	3	3	2	3	0	2	0	4	24	7	8	2	1	1	0	3	1	5	2	1	4	3	1	4	4	7	5	3	20	2	1	2	0	0	3	3	2	6	5	6	0	1	0	1	3	6	3	0	0	0	1	3	16	7	7	0	3	3	0	2	1	4	4	2	2	7	2	1	0	3	4	1	3	1
+Sulfentrazone	3	3	3	6	6	8	6	0	3	4	2	2	20	7	22	1	3	0	5	3	4	8	2	2	3	0	1	2	4	4	5	2	5	0	2	9	2	17	4	2	1	1	4	1	2	1	2	2	15	6	3	2	2	30	2	6	1	3	19	1	2	4	26	7	4	5	2	3	5	2	0	2	20	7	6	3	1	0	1	1	3	3	1	3	1	4	2	2	3	7	2	1	21	3	1	1	1	1	3	2	1	3	5	2	3	2	0	1	1	2	1	1	1	0	0	3	2	4	4	1	1	1	4	0	7	3	4	7	4	7	7	5	3	11	9	2	4	7
+Terbutryn	4	1	1	2	6	1	4	3	3	3	4	2	12	5	11	0	2	1	3	3	5	7	2	9	2	0	3	4	10	1	5	5	6	2	5	9	2	15	0	1	1	7	2	1	2	4	4	5	11	3	1	1	1	17	6	4	3	4	15	3	4	3	28	3	4	3	1	3	0	1	2	5	27	7	4	1	0	2	1	3	1	9	4	1	4	3	3	6	2	13	7	1	24	3	2	2	0	0	0	2	5	5	6	10	0	1	0	1	4	6	1	0	1	0	1	4	13	12	6	2	2	3	0	5	1	4	3	4	2	9	0	1	0	7	3	2	1	0
+Bitertanol_isomer1	0	0	0	0	3	0	3	0	2	3	0	0	4	1	4	0	3	1	2	2	2	0	0	1	3	0	2	1	3	1	1	1	2	0	3	1	2	6	0	0	0	2	0	1	0	1	1	2	2	2	0	0	0	8	1	0	1	1	4	0	0	0	7	1	4	2	0	0	0	1	1	0	8	2	1	0	0	1	1	2	1	2	2	0	1	0	1	1	2	3	1	1	6	0	2	1	0	0	0	2	0	2	0	4	0	0	0	0	1	2	0	0	0	0	0	1	3	6	1	1	0	1	0	1	0	2	0	1	0	5	0	0	0	0	1	0	0	0
+Bitertanol_isomer2	1	1	2	0	6	0	3	2	4	3	0	1	8	3	8	2	3	1	3	3	3	0	1	2	5	0	3	2	3	3	1	2	3	1	4	4	2	10	0	0	1	4	1	1	0	1	2	4	5	3	0	0	0	14	1	1	2	1	7	0	3	0	14	3	5	5	1	1	0	2	1	2	14	5	3	0	0	1	2	2	1	2	3	2	2	0	2	2	3	4	1	1	9	0	2	1	0	0	1	4	1	4	2	7	1	1	1	0	2	4	1	0	0	0	0	1	5	8	5	1	1	1	0	2	1	2	1	2	1	7	0	0	1	2	2	0	2	2
+Bromuconazole_isomer1	3	0	1	1	2	3	2	0	1	1	2	1	5	2	5	0	1	1	3	1	5	3	0	1	0	0	0	1	3	0	0	0	3	0	1	3	3	6	2	2	1	4	1	1	2	0	0	1	2	0	1	0	2	12	1	2	0	0	6	2	0	2	8	3	2	1	1	1	0	0	0	2	10	2	4	1	0	0	0	0	0	2	0	1	0	1	1	1	0	3	1	0	9	3	0	2	0	0	1	2	1	1	3	2	0	1	0	1	2	2	1	0	0	0	0	2	1	1	2	0	1	2	0	0	3	0	2	3	2	2	5	1	1	1	1	1	2	3
+Bromuconazole_isomer2	2	1	3	2	3	4	2	0	2	0	2	2	6	3	6	0	2	1	2	1	5	2	0	2	1	0	2	0	2	2	0	1	2	0	0	2	2	9	3	2	1	4	1	2	0	0	1	1	3	0	1	0	2	15	1	2	1	1	7	2	1	4	9	4	1	2	1	2	0	0	0	2	12	2	5	1	0	0	0	0	0	1	0	1	0	1	0	1	0	4	1	0	10	3	0	2	0	0	1	2	1	2	4	1	0	1	0	1	2	1	1	0	0	0	0	2	1	3	1	0	1	2	0	2	3	1	1	3	2	0	5	0	1	0	2	1	2	3
+Cyproconazole_isomer1	4	3	3	1	8	1	3	0	5	4	1	1	7	4	11	1	1	0	1	4	1	6	1	3	1	0	3	1	6	1	1	5	5	1	3	6	3	9	1	3	0	3	1	0	3	3	4	2	5	3	1	1	0	13	5	4	1	1	11	1	4	3	22	2	4	6	2	1	1	0	1	3	25	5	6	0	1	1	0	2	1	3	1	1	1	4	4	2	2	4	5	1	15	0	1	0	0	0	0	4	3	1	5	4	1	0	1	1	0	2	0	0	0	0	1	1	6	7	4	1	1	2	0	3	2	2	1	3	4	10	1	0	3	2	2	2	1	1
+Cyproconazole_isomer2	3	3	3	1	5	0	3	0	5	3	1	1	7	4	9	1	0	0	1	3	1	4	1	3	0	0	2	1	6	1	1	4	5	1	3	5	2	9	1	3	0	3	1	0	3	3	4	2	5	3	1	1	0	10	5	4	1	1	10	0	3	3	21	2	4	5	2	1	1	0	1	3	24	5	5	0	1	0	0	2	1	3	1	1	1	3	4	2	2	3	5	1	14	0	1	0	0	0	0	3	2	1	5	3	1	0	1	1	0	2	0	0	0	0	1	1	6	5	4	1	1	2	0	3	2	1	1	3	4	9	1	0	3	1	1	1	1	1
+Diclobutrazol	7	0	3	4	8	5	4	1	4	3	2	1	12	7	23	0	3	0	3	5	6	13	1	2	1	0	2	2	4	2	2	5	6	0	3	4	3	7	3	2	0	12	1	0	3	2	4	2	11	4	3	1	2	25	3	7	1	3	17	1	2	4	20	6	7	3	3	1	2	1	1	1	24	4	9	2	0	0	2	3	1	4	2	0	0	7	2	2	1	9	6	0	17	1	2	2	1	1	2	4	3	3	2	5	4	2	1	1	3	4	1	0	1	0	1	6	4	7	5	2	1	4	2	4	4	7	3	3	1	7	5	3	2	3	2	2	1	4
+Difenoconazole_isomer1	3	5	3	3	5	1	2	0	6	1	4	1	11	2	10	1	0	0	2	2	2	5	0	3	1	2	1	0	0	2	2	3	2	1	1	7	0	6	2	1	0	7	3	0	2	2	4	3	5	3	2	0	0	6	2	4	0	1	8	0	2	2	9	1	2	5	1	4	3	0	0	2	13	7	5	0	1	1	0	0	1	4	0	1	0	3	1	3	2	6	3	0	10	2	0	0	0	0	0	2	4	2	3	3	1	2	2	1	2	1	1	0	1	0	2	2	4	4	5	1	3	1	3	2	2	1	1	3	2	5	3	2	4	9	6	7	7	2
+Difenoconazole_isomer2	3	4	4	2	11	1	5	1	5	2	4	2	10	3	15	1	1	0	4	2	4	4	0	3	2	2	2	1	0	2	1	4	3	1	2	6	2	10	2	3	2	10	0	2	0	2	5	2	8	4	0	0	0	16	5	4	1	1	15	0	3	4	15	5	3	5	2	1	2	1	0	2	17	7	5	0	2	1	0	0	2	4	1	2	0	4	3	2	2	4	5	1	13	2	0	1	0	1	2	2	3	4	5	5	1	3	1	1	4	2	1	0	1	0	3	3	7	7	12	1	3	1	1	5	2	4	2	4	1	8	1	2	7	8	4	4	7	4
+Diniconazole	4	0	2	5	5	8	4	1	2	2	2	0	8	6	23	0	2	1	5	1	3	7	1	3	0	0	1	2	3	8	4	2	1	0	0	4	0	5	2	6	0	8	2	0	1	1	3	2	8	4	1	2	1	28	2	6	0	1	12	2	2	3	11	4	6	3	3	3	2	1	0	1	13	4	5	1	0	0	0	2	0	2	1	0	1	5	2	2	1	12	4	2	15	2	1	4	0	0	1	3	5	1	1	2	1	1	0	0	1	3	0	0	1	0	0	5	0	1	1	1	1	1	0	0	5	4	3	3	4	4	5	5	7	2	4	3	2	2
+Epoxiconazole	9	5	3	10	10	8	7	0	4	4	3	1	17	12	39	3	7	2	8	8	13	13	5	4	0	0	3	0	5	2	4	6	6	4	4	11	4	16	10	11	2	7	1	0	3	4	5	5	20	8	1	1	1	27	11	14	2	5	24	3	10	6	32	11	10	5	4	1	2	1	0	5	39	9	12	3	4	2	2	5	1	5	1	1	4	9	6	3	4	9	6	3	24	1	1	4	2	0	3	1	7	5	6	10	3	0	1	0	3	5	2	1	0	0	3	7	18	10	14	1	5	4	4	2	8	8	3	10	4	15	7	3	6	7	5	3	5	7
+Etoxazole	14	5	6	7	10	12	4	2	9	5	6	7	24	15	36	8	5	6	10	9	16	25	3	5	7	0	5	4	13	12	3	8	14	2	7	12	6	35	12	8	4	23	10	2	3	7	6	4	31	8	8	3	2	50	14	13	5	6	52	2	11	11	42	15	12	6	5	3	6	1	2	5	50	12	18	4	4	2	2	3	3	12	5	4	5	11	7	7	7	12	4	4	36	9	1	2	2	2	2	4	7	7	9	27	4	1	6	4	3	6	3	1	3	1	4	12	37	14	16	4	2	6	5	4	3	5	4	6	2	17	5	3	3	6	12	3	4	6
+Fenarimol	7	5	4	5	5	7	2	2	5	3	2	2	21	4	24	0	1	0	12	4	11	10	4	3	3	0	3	4	9	10	2	6	4	2	3	7	4	15	8	6	2	8	7	1	3	3	4	1	15	5	1	2	0	29	4	9	3	4	20	1	2	5	30	9	4	4	1	4	5	2	2	3	24	7	13	1	2	0	0	3	1	5	6	4	3	5	3	4	3	12	3	4	18	3	2	2	1	0	1	3	5	3	6	4	2	0	2	1	1	4	1	0	0	0	0	3	15	6	4	4	4	3	2	3	6	5	2	7	5	12	8	3	4	4	8	4	3	5
+Fluquinconazole	2	1	2	2	4	3	4	1	0	1	2	0	3	3	10	0	2	1	2	1	2	2	0	1	0	0	0	1	1	2	2	1	0	1	2	1	1	3	3	0	1	4	2	0	0	1	1	3	10	2	1	0	0	10	0	1	1	2	9	0	0	0	6	0	4	0	0	0	1	0	0	2	6	1	1	0	2	1	0	0	0	1	0	1	2	2	1	0	1	2	1	1	11	0	0	1	0	0	0	0	1	1	2	3	1	0	2	0	1	1	0	0	0	0	1	3	3	3	2	1	3	0	1	0	4	0	0	4	0	0	1	2	2	2	2	2	3	1
+Flusilazole	3	2	1	4	5	5	3	0	2	2	1	2	7	4	20	3	3	1	4	2	8	6	1	2	0	0	2	1	3	6	4	1	3	3	1	6	2	5	6	4	1	6	1	0	2	4	1	1	10	5	0	1	1	17	1	6	1	1	14	2	4	3	17	2	7	2	1	2	0	3	0	1	18	7	6	2	1	1	1	3	1	4	2	0	4	2	3	0	5	9	1	2	12	2	1	3	0	0	1	1	8	3	1	3	2	0	1	2	2	3	0	0	0	0	0	5	7	6	3	1	3	3	2	2	4	3	1	3	2	8	1	2	3	2	3	4	2	4
+Flutriafol	3	3	0	7	4	2	3	0	2	0	1	3	4	5	7	0	2	0	3	2	2	4	0	4	2	0	2	0	2	2	2	1	0	0	1	1	3	6	4	2	1	1	0	0	1	1	5	2	3	0	0	0	0	9	0	3	0	3	6	1	4	2	13	2	2	1	1	1	0	0	0	1	14	3	2	1	0	1	1	0	0	3	0	0	3	2	1	3	2	5	1	0	10	0	0	2	0	0	1	0	5	1	5	3	0	0	0	0	2	2	0	0	0	0	0	0	7	4	5	1	3	0	1	4	6	2	0	2	0	2	2	2	1	2	1	1	1	4
+Hexaconazole	2	2	5	3	6	6	6	0	5	5	3	2	16	12	15	1	2	2	6	2	7	9	0	6	3	0	4	3	8	9	2	4	4	0	4	8	5	14	7	4	1	8	1	2	2	4	4	2	7	4	2	1	2	31	2	6	1	3	21	2	3	3	21	7	5	3	2	4	2	1	1	4	25	10	8	2	0	0	1	2	1	4	0	1	2	2	2	3	2	7	6	3	19	3	0	0	0	0	0	3	5	3	6	6	1	1	0	2	3	4	0	0	0	0	1	8	3	7	6	0	2	1	1	3	3	3	3	4	4	7	5	2	4	2	3	3	2	6
+Nuarimol	10	7	3	13	5	8	7	3	6	2	3	3	21	9	29	3	5	0	10	8	15	17	3	7	3	0	1	3	8	8	5	7	6	3	2	8	2	19	7	7	2	14	3	1	3	4	5	4	16	8	0	3	2	31	8	11	4	7	30	5	8	9	38	8	6	3	1	2	7	1	2	3	39	11	16	3	2	2	3	0	1	11	2	3	5	7	3	8	5	16	4	2	31	4	2	2	4	1	3	4	12	7	9	12	2	1	3	2	5	5	2	0	0	0	0	6	15	13	11	3	6	4	2	2	11	6	4	8	3	12	6	3	6	8	9	5	3	5
+Paclobutrazol	4	2	1	4	7	7	7	0	8	5	1	3	11	9	16	0	3	0	4	4	8	12	1	3	2	0	2	3	6	4	3	2	6	2	4	9	5	7	6	3	0	10	2	1	2	3	3	2	7	7	1	1	0	24	3	10	2	2	20	1	3	2	26	7	7	4	2	1	2	1	1	1	27	5	8	0	2	1	2	2	1	3	3	0	1	3	3	4	3	8	5	1	18	3	1	2	1	0	0	5	3	2	4	7	2	2	0	0	4	6	1	0	0	0	2	3	5	7	5	1	0	2	1	2	1	7	4	4	2	12	1	1	2	4	2	6	2	5
+Penconazole	5	1	1	6	5	7	2	0	2	4	2	1	15	8	15	0	2	0	8	1	8	6	1	2	0	0	0	2	7	1	2	2	3	1	1	6	4	6	6	5	1	8	1	0	3	2	2	0	10	2	2	0	3	14	2	6	0	3	10	4	3	3	16	6	3	2	2	3	0	0	0	1	16	7	4	0	0	1	1	1	1	4	1	0	2	3	1	1	2	5	2	0	13	4	2	3	1	0	1	2	2	2	1	2	2	1	0	0	2	2	1	0	0	0	0	7	3	3	2	1	1	4	2	1	3	2	2	3	3	8	3	1	1	2	1	4	2	7
+Propiconazole_isomer1	6	2	5	5	11	7	4	2	10	4	4	4	19	9	19	0	3	1	1	2	10	12	2	8	4	0	4	4	8	3	6	6	3	1	5	9	4	16	2	5	0	8	4	3	3	4	5	2	6	3	1	0	1	26	4	9	1	1	19	2	3	5	28	6	7	8	5	2	2	1	1	3	31	11	8	1	1	0	0	2	1	3	2	1	0	2	3	3	2	9	4	2	17	2	1	1	1	1	4	7	4	6	9	9	2	2	1	1	5	4	2	1	1	0	1	5	10	10	12	0	3	1	0	5	6	5	3	3	6	12	3	4	5	7	6	4	3	5
+Propiconazole_isomer2	0	1	3	4	3	3	3	2	4	3	4	0	9	5	12	0	1	0	0	1	5	3	1	3	1	0	0	2	2	3	3	1	2	0	1	3	2	6	1	1	0	2	2	1	2	2	2	1	7	3	1	0	1	13	1	3	1	2	4	1	1	0	11	2	2	4	2	1	1	0	0	3	11	4	2	1	0	0	0	0	1	0	0	1	1	0	2	2	1	3	1	0	11	2	0	1	0	0	3	3	1	2	4	0	1	1	0	1	2	2	0	1	0	0	0	4	1	3	1	0	2	1	0	1	3	1	4	3	3	6	1	1	3	3	3	1	3	4
+Tebuconazole	6	5	4	2	7	8	4	1	6	4	0	2	13	6	22	2	4	0	6	5	6	10	2	3	1	0	4	1	7	4	4	4	7	1	4	11	7	13	4	4	0	5	3	1	2	3	5	2	10	7	2	1	1	19	4	8	1	3	17	2	5	6	24	4	10	6	3	2	0	0	0	1	24	4	8	1	2	1	1	3	1	3	1	1	1	6	5	5	3	9	7	1	17	2	2	4	1	0	1	6	4	4	3	7	3	0	1	0	0	4	1	0	0	0	2	5	7	11	9	2	2	3	2	3	3	5	2	3	3	14	1	1	2	2	7	5	0	6
+Tetraconazole	5	0	2	4	3	6	3	0	2	2	2	3	14	5	16	1	2	0	5	2	5	8	1	1	2	0	0	3	5	4	1	2	2	0	2	5	1	3	6	3	0	6	1	0	2	2	2	0	9	4	1	0	3	21	1	6	0	2	13	2	4	1	11	8	7	2	2	3	4	1	0	1	15	4	6	0	0	0	0	1	1	5	1	0	1	1	1	2	3	2	2	0	16	4	1	3	0	0	1	2	1	3	3	2	2	1	0	0	1	2	0	0	0	0	0	4	3	3	1	2	0	4	1	1	2	2	2	2	3	8	3	2	4	0	2	3	3	3
+Triadimenol_isomer1	4	4	3	4	5	4	6	2	6	3	1	3	15	8	13	2	5	1	2	2	3	9	1	3	3	0	5	3	8	2	1	7	3	0	3	12	4	17	1	1	2	4	2	2	2	2	4	5	10	2	1	1	1	15	5	1	1	3	13	2	5	7	24	6	7	5	1	2	4	0	1	3	27	6	6	1	0	1	1	2	1	6	0	3	3	2	5	2	4	5	4	2	17	2	0	1	1	0	0	4	2	5	6	9	3	1	1	1	1	6	1	0	0	0	1	2	8	9	9	2	1	4	0	4	2	2	1	2	3	10	2	0	2	6	4	2	1	3
+Triadimenol_isomer2	9	6	5	7	13	10	8	3	11	3	2	6	25	13	35	4	9	2	12	5	9	15	4	4	4	0	5	4	11	8	3	8	8	2	4	16	6	23	4	6	3	17	4	2	2	3	9	4	21	6	2	2	2	32	9	10	4	4	28	2	6	7	39	10	11	6	2	3	3	0	2	3	45	9	12	2	3	1	1	3	1	9	2	4	5	3	7	3	4	12	7	2	27	6	2	3	2	1	1	7	4	7	9	16	3	4	2	1	2	7	2	0	2	0	3	3	28	19	16	3	2	4	2	7	5	5	4	6	5	19	6	3	6	11	9	3	3	8
+Metconazole	13	4	5	7	14	12	8	1	10	6	3	6	24	13	34	6	9	4	10	8	13	18	3	8	6	0	6	6	11	13	5	9	11	3	8	19	7	28	8	12	1	15	5	3	3	6	7	4	18	9	3	2	2	41	8	11	3	1	37	3	10	7	42	17	15	11	6	4	2	2	1	3	55	17	19	3	3	1	3	4	1	8	4	1	4	9	7	5	4	15	6	3	30	5	1	3	3	1	3	8	9	11	11	20	2	2	1	1	4	9	4	1	0	0	2	8	16	19	18	4	5	3	5	8	5	9	3	9	6	18	5	3	5	9	8	6	3	11
+Triflumizole	11	2	5	7	8	10	5	0	3	1	4	5	25	11	31	2	6	4	16	8	18	15	3	5	4	0	2	3	6	11	10	7	6	4	5	10	3	18	10	6	2	17	6	2	3	6	4	5	18	7	4	2	5	42	8	7	2	7	38	4	8	7	31	12	7	6	4	4	8	2	0	3	35	13	20	4	1	2	1	1	0	13	4	1	5	10	2	8	5	16	7	3	32	7	5	3	2	0	3	2	5	5	8	9	1	0	2	0	3	7	3	0	0	0	1	6	12	13	7	5	6	6	4	2	11	5	3	5	8	9	10	3	4	12	5	8	1	7
+Triticonazole	15	4	3	5	15	12	8	1	5	7	5	6	25	7	38	5	10	5	11	10	16	21	5	9	3	0	4	5	10	10	7	8	10	4	10	15	8	29	10	13	2	14	4	2	4	5	5	5	16	11	3	3	4	41	9	12	2	3	41	3	11	12	41	16	12	3	6	3	5	3	1	3	52	15	24	4	3	1	2	4	1	13	4	1	3	8	6	6	6	13	7	4	33	6	1	5	2	0	6	7	10	9	10	19	3	1	2	1	4	10	4	1	0	0	2	10	14	15	19	3	7	5	3	4	6	9	4	8	6	16	6	4	6	6	9	4	2	8
+Ipconazole	15	6	4	8	16	10	9	1	9	6	3	5	25	12	36	5	8	3	14	8	14	17	3	6	6	0	6	5	12	11	4	8	12	2	6	15	6	30	8	13	1	17	7	2	3	6	9	5	17	13	2	3	5	41	9	13	2	2	37	1	10	11	48	19	13	10	6	4	4	3	1	4	55	15	25	4	5	2	4	5	1	12	4	2	4	9	7	8	4	15	8	1	31	6	4	5	1	1	4	7	11	7	10	18	3	1	4	1	4	10	4	1	0	0	2	6	16	18	19	5	7	3	6	7	8	10	4	8	6	19	4	3	8	9	9	6	1	10
+Fuberidazole	4	4	2	2	4	2	0	0	2	2	0	0	5	2	5	2	1	0	2	2	0	4	2	1	1	0	0	1	4	0	2	3	1	3	1	7	1	5	1	1	0	0	1	0	1	0	1	0	4	1	0	0	0	7	3	6	0	1	8	2	3	1	9	3	3	1	0	0	1	0	0	0	8	2	1	1	0	0	0	0	0	3	0	0	1	0	2	0	1	1	1	0	6	0	0	0	0	0	0	1	0	3	1	4	0	0	0	0	1	2	1	0	0	0	0	0	7	5	1	0	1	0	0	1	0	2	2	1	1	7	0	0	0	2	1	0	0	2
+Fenpropimorph_isomer1	1	0	1	2	2	2	2	0	2	1	1	1	1	1	0	0	0	0	0	1	0	3	1	0	0	0	1	2	3	0	2	0	0	1	0	2	1	4	1	1	0	0	1	0	1	0	0	1	0	1	0	1	0	2	0	1	0	0	2	0	0	0	7	0	2	1	0	0	0	0	0	0	6	2	0	0	1	0	0	0	0	2	0	0	1	0	1	0	0	0	2	0	2	0	0	0	0	0	0	1	0	0	1	4	0	0	0	1	1	1	0	0	0	0	0	0	3	1	3	0	0	0	0	1	0	1	0	1	1	1	0	0	0	1	0	0	0	0
+Fenpropimorph_isomer2	2	0	2	2	1	1	0	0	3	2	1	2	2	2	2	0	1	0	1	0	2	4	1	0	0	0	1	2	3	1	2	0	2	1	1	2	2	7	1	2	0	1	1	2	1	0	1	1	1	1	0	1	0	4	1	1	0	0	7	0	0	1	5	1	3	2	0	0	0	0	0	1	8	3	0	0	0	0	0	0	0	4	0	0	1	0	2	0	0	0	1	0	2	1	0	0	0	0	0	2	0	1	1	7	0	0	0	1	2	2	0	0	0	0	0	0	4	2	6	0	0	0	1	2	0	3	0	0	1	3	0	0	1	0	0	0	0	1
+Spirodiclofen	3	3	4	5	5	6	3	4	6	3	4	1	15	5	29	1	3	0	11	0	9	7	4	3	3	0	3	1	4	5	4	4	4	3	4	8	2	12	5	3	1	8	3	0	5	2	2	1	20	4	4	1	5	33	3	6	3	2	17	1	1	4	18	8	7	8	5	6	6	3	0	3	18	10	13	2	0	2	2	3	1	3	4	3	1	9	4	2	3	10	7	2	20	3	2	4	1	0	5	4	5	4	3	5	3	1	3	1	2	3	3	1	1	0	0	6	6	5	5	3	3	4	2	5	8	3	2	6	5	9	15	3	3	9	10	7	2	9
+Spiromesifen	11	2	4	3	6	6	3	1	5	5	3	3	19	8	19	7	7	5	7	9	9	15	8	8	5	0	5	3	10	4	5	7	9	6	6	19	6	23	4	7	4	17	6	4	4	6	7	5	13	9	3	2	3	39	16	6	4	1	30	4	10	6	44	11	8	5	5	4	5	2	1	4	50	14	11	5	1	2	2	4	0	10	3	0	5	11	5	9	3	12	8	3	31	8	2	2	3	0	2	3	9	9	9	19	1	1	2	1	2	14	4	1	2	0	1	7	27	12	14	4	8	5	5	4	4	7	3	3	5	16	2	3	5	3	5	4	2	8
+Spirotetramat	19	5	5	7	10	10	5	5	9	8	7	6	26	13	34	6	8	6	11	11	17	19	10	10	6	0	4	4	17	5	6	10	13	6	10	23	7	28	9	14	7	24	10	4	4	10	9	6	29	13	5	7	7	54	22	19	5	8	52	8	11	12	65	18	16	11	6	7	10	2	5	11	66	20	23	6	2	5	4	7	2	16	8	5	12	16	6	11	7	25	9	5	49	15	2	5	4	2	3	5	14	16	14	27	1	5	3	5	5	15	5	1	3	0	2	13	50	28	20	8	10	11	10	8	5	7	5	6	8	22	8	5	9	15	9	7	5	15
+17-alpha-Ethynylestradiol	12	5	6	9	8	9	5	3	7	4	6	6	17	12	23	7	6	3	8	9	12	14	6	6	4	0	3	4	10	2	5	7	8	5	10	14	7	17	7	10	4	15	3	4	3	5	6	6	12	8	1	3	5	34	15	19	5	5	35	4	9	7	37	13	13	7	5	3	6	1	1	4	47	15	13	2	3	3	1	2	0	9	3	1	8	15	5	11	5	15	8	1	27	7	3	3	4	2	2	2	9	6	9	22	2	2	1	2	6	11	5	1	2	0	2	7	30	19	18	5	8	5	6	4	8	9	5	6	4	21	2	3	6	8	9	5	5	10
+Bisphenol A	1	1	0	2	5	0	1	0	2	2	3	1	5	2	12	0	3	0	2	4	4	3	4	0	2	0	3	1	3	1	3	1	2	2	5	5	4	6	2	5	1	2	2	0	0	3	1	1	9	6	0	2	2	17	6	7	0	1	9	1	4	3	14	5	6	1	2	0	0	1	0	1	14	1	5	2	1	0	1	3	2	3	1	0	3	5	3	4	1	3	3	1	10	1	0	1	1	0	2	1	1	5	3	2	1	0	0	1	1	3	1	1	0	0	0	2	11	3	6	2	1	1	2	1	1	4	2	3	3	10	4	3	3	1	2	0	0	6
+4-tert-Octylphenol	1	3	0	3	3	1	2	0	1	0	2	0	3	2	5	0	0	0	1	0	1	1	1	0	0	0	0	1	0	1	0	1	2	1	1	0	0	1	1	2	0	2	0	0	0	1	1	1	2	0	0	0	1	3	3	5	1	1	5	0	0	0	0	4	3	0	0	0	0	0	0	0	3	1	0	0	2	0	0	0	0	1	0	0	0	0	2	1	0	0	0	0	2	0	0	1	0	0	0	0	1	0	0	1	0	0	0	0	1	0	0	0	0	0	1	1	6	1	6	0	1	0	2	0	2	1	2	3	2	4	0	1	1	0	2	0	1	1
+Estrone	12	5	4	6	11	8	5	4	7	6	3	5	20	12	23	7	6	3	5	10	7	12	8	8	4	0	4	4	9	2	4	6	11	4	6	14	6	19	5	6	4	17	5	4	2	5	6	5	14	8	1	2	3	36	14	16	3	2	31	5	9	5	38	11	11	6	6	2	3	2	2	3	49	15	9	3	2	2	1	5	1	10	7	0	5	8	5	8	4	11	7	1	27	7	2	1	2	1	3	3	6	6	11	23	2	2	2	2	6	11	5	1	2	0	2	7	32	14	21	4	4	5	7	3	6	9	4	8	4	20	2	4	4	9	7	3	2	8
+17-beta-Estradiol	7	2	4	4	4	3	4	1	8	3	4	6	18	7	14	5	6	3	5	8	10	10	7	5	5	0	4	4	10	4	4	3	7	4	5	12	8	16	3	3	3	12	3	2	2	3	6	3	9	8	2	2	3	33	10	9	5	2	25	5	8	6	36	8	9	5	3	3	0	1	1	4	40	8	7	1	1	1	0	2	0	6	2	0	5	8	3	9	2	9	5	1	23	7	2	2	1	1	3	1	4	6	7	17	1	2	0	2	5	9	4	1	2	0	1	4	26	9	13	4	4	4	4	1	2	6	4	3	3	12	0	1	3	4	5	1	2	5
+Progesterone	19	7	5	11	15	11	8	1	9	6	9	7	30	15	19	7	9	5	16	11	17	21	6	10	7	0	4	7	14	10	6	10	15	5	11	15	9	40	12	11	5	23	6	4	3	6	8	7	5	11	3	3	5	51	21	30	8	7	50	8	11	11	74	17	15	8	8	7	6	3	5	11	69	20	23	7	4	3	2	3	0	18	7	3	6	10	7	12	5	15	10	3	46	12	3	8	3	3	5	6	11	16	19	32	2	1	2	5	9	17	7	1	2	0	1	10	73	29	28	4	9	5	11	15	9	9	8	9	5	20	1	5	7	6	8	3	5	11
+Testosterone	16	7	2	9	14	10	6	0	8	6	7	8	24	12	13	7	6	5	12	12	19	19	2	11	4	0	3	6	10	11	7	7	13	3	9	9	11	34	10	8	4	23	4	4	2	4	7	4	3	9	3	2	3	42	11	27	4	4	41	5	11	10	55	12	14	6	7	3	3	2	2	8	47	17	17	4	2	1	1	4	0	13	7	2	6	7	4	9	2	11	5	1	33	7	3	6	1	2	7	4	10	10	16	26	1	2	3	4	9	13	6	1	4	0	1	6	69	21	25	3	6	4	6	11	4	9	7	7	3	16	1	3	3	5	6	3	5	8
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/recetox_gc-ei_ms_20201028.msp	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,31986 @@
+NAME: Perylene_2H12
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2876
+PRECURSORMZ: 264.16858
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H12
+INCHIKEY: CSHWQDPOILHKBI-AQZSQYOVSA-N
+INCHI: 
+SMILES: [2H]C1=C(C2=C3C(=C1[2H])C4=C(C(=C(C5=C4C(=C(C(=C5[2H])[2H])[2H])C3=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 33
+116.05576	29277
+118.06992	49651
+128.0558	37001
+130.06996	78584
+130.57159	17533
+132.08408	65686
+132.5858	12593
+207.0322	39569
+222.08282	13141
+223.06346	20762
+225.04277	18058
+227.02202	26370
+232.11204	30354
+236.1405	22796
+252.09322	8564
+256.11212	41765
+257.11557	8688
+258.12622	21742
+259.13446	11564
+260.14041	248997
+261.14358	51721
+262.15466	33597
+263.16254	63732
+264.16858	829577
+265.01968	18286
+265.17191	176460
+266.17523	18876
+283.03036	10261
+287.00632	11352
+295.10288	26727
+299.06152	33379
+359.0282	67046
+400.98447	17406
+
+NAME: Perylene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2886.9
+PRECURSORMZ: 252.09323
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H12
+INCHIKEY: CSHWQDPOILHKBI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C3C(=C1)C1=CC=CC4=C1C(=CC=C4)C3=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 19
+112.03071	49892
+113.03854	87510	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+124.03076	100146
+124.53242	24923
+125.03855	179254	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+125.54019	49039
+126.04636	131679
+126.54804	36313
+222.04645	28905
+224.06192	55632
+226.04175	37413
+246.04646	23286
+248.06204	140007
+249.07072	62236	"Theoretical m/z 249.070425, Mass diff -0.001 (0 ppm), Formula C20H9"
+250.07765	641789
+251.07967	137600
+252.09323	1955166	"Theoretical m/z 252.093354, Mass diff 0 (0.49 ppm), SMILES C1=CC=2C=CC=C3C4=CC=CC5=CC=CC(C(=C1)C23)=C54, Annotation [C20H12]+, Rule of HR False"
+253.09656	402252
+254.09985	39987
+
+NAME: Phenanthrene_2H10
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1827.1
+PRECURSORMZ: 188.14029
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H10
+INCHIKEY: YNPNZTXNASCQKK-LHNTUAQVSA-N
+INCHI: 
+SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C(=C(C(=C32)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 17
+76.02767	185421
+78.0418	256858
+80.05586	881271
+90.04181	200162
+92.06206	537968
+94.06999	628791
+156.08402	836513
+158.09808	477819
+160.11218	2421148
+161.11554	310248
+176.10866	308983
+184.11224	2784543
+185.11562	445833
+186.12637	1283282
+188.14029	15115275
+189.1436	2312386
+190.14688	151400
+
+NAME: Phenanthrene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1832.9
+PRECURSORMZ: 178.0775
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H10
+INCHIKEY: YNPNZTXNASCQKK-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 19
+74.01508	137808	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02295	278714	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03075	608417	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+87.02295	304266	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03076	497050	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03857	441168	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+98.01511	150478
+150.04633	868927
+151.05415	546351	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.0619	2275502
+153.06528	276320
+169.06468	272559
+174.04636	365846
+175.05423	272039	"Theoretical m/z 175.054775, Mass diff 0 (0 ppm), Formula C14H7"
+176.062	3370523	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+177.06982	1751846	"Theoretical m/z 177.070425, Mass diff 0 (0 ppm), Formula C14H9"
+178.0775	13724432	"Theoretical m/z 178.077698, Mass diff 0 (1.11 ppm), SMILES C=1C=CC2=C(C1)C=CC=3C=CC=CC32, Annotation [C14H10]+, Rule of HR False"
+179.08078	2250119
+180.08412	138203
+
+NAME: Anthracene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1844.4
+PRECURSORMZ: 178.07754
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H10
+INCHIKEY: MWPLVEDNUUSJAV-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=CC3=C(C=CC=C3)C=C2C=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 21
+74.0151	117371	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02296	245305	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03077	632686	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+87.02297	236214	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03078	347832	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.0386	507288	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05425	130861	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+126.04636	128356
+149.04478	126331
+150.04637	641829
+151.05415	403195	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06195	1369833
+153.06534	175290
+169.06471	228827
+174.04639	255716
+175.05423	198784	"Theoretical m/z 175.054775, Mass diff 0 (0 ppm), Formula C14H7"
+176.06204	2563053	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+177.06984	1182037	"Theoretical m/z 177.070425, Mass diff 0 (0 ppm), Formula C14H9"
+178.07754	11002398	"Theoretical m/z 178.077698, Mass diff 0 (0.89 ppm), SMILES C=1C=CC=2C=C3C=CC=CC3=CC2C1, Annotation [C14H10]+, Rule of HR False"
+179.08081	1778803
+180.08418	132922
+
+NAME: Acenaphthylene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1501
+PRECURSORMZ: 152.06192
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H8
+INCHIKEY: HXGDTGSAIMULJN-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C3C1=CC=CC3=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 19
+74.01511	482670	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02295	550365	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03077	725415	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+77.03858	588033	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+86.01511	256400	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02298	375648	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+91.05425	2992018	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06201	1652944	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06988	906934	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+98.01514	483853
+99.02294	312809	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+126.04639	589350
+149.03862	414697	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+150.04639	3781501
+151.05417	3142749	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06192	21881232	"Theoretical m/z 152.062058, Mass diff 0 (0.91 ppm), SMILES C=1C=C2C=CC=C3C=CC(C1)=C23, Annotation [C12H8]+, Rule of HR False"
+153.06525	2807302
+169.0647	1124323
+179.06026	753608
+
+NAME: Acenaphthene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1528.3
+PRECURSORMZ: 154.07741
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H10
+INCHIKEY: CWRYPZZKDGJXCA-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1CC2=C3C1=CC=CC3=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 18
+74.01509	295758	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02295	509657	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03075	1635356	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+76.53242	205544
+86.01508	191522	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02293	327509	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+98.01508	227977
+126.04635	562426
+150.04636	1619866
+151.05418	1937000	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06194	9114349
+153.06969	18918992	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07741	12248891	"Theoretical m/z 154.077698, Mass diff 0 (1.87 ppm), SMILES C=1C=C2C=CC=C3C2=C(C1)CC3, Annotation [C12H10]+, Rule of HR False"
+155.0808	1483779
+165.06972	206834
+167.08536	417705
+169.06462	800183
+179.0602	516826
+
+NAME: Fluoranthene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2102.7
+PRECURSORMZ: 202.07756
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H10
+INCHIKEY: GVEPBJHOBDJJJI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 17
+75.02299	112456	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+87.02298	183640	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03079	367434	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+99.02296	124952	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.03078	376079
+101.03863	381288	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+150.04642	86059
+174.04634	246963
+176.06194	141676	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+198.0464	244370
+199.05429	285767	"Theoretical m/z 199.054775, Mass diff 0 (0 ppm), Formula C16H7"
+200.06207	1958890
+201.06982	1103710	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07756	8104188	"Theoretical m/z 202.077698, Mass diff 0 (0.69 ppm), SMILES C1=CC=C2C(=C1)C3=CC=CC4=CC=CC2=C43, Annotation [C16H10]+, Rule of HR False"
+203.08084	1377015
+204.08421	98067
+219.08043	186623
+
+NAME: Pyrene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2154.5
+PRECURSORMZ: 202.07759
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H10
+INCHIKEY: BBEAQIROQSPTKN-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 16
+87.02299	147113	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.0308	305149	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+99.02298	137042	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.0308	508914
+101.03864	472094	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+101.54032	82430
+150.04637	80741
+174.04631	212706
+198.04643	262925
+199.05429	295144	"Theoretical m/z 199.054775, Mass diff 0 (0 ppm), Formula C16H7"
+200.06209	1960712
+201.06982	1270466	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07759	7974712	"Theoretical m/z 202.077698, Mass diff 0 (0.54 ppm), SMILES C=1C=C2C=CC3=CC=CC=4C=CC(C1)=C2C34, Annotation [C16H10]+, Rule of HR False"
+203.08086	1335645
+204.0843	121774
+219.08044	182944
+
+NAME: para-Terphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2207.5
+PRECURSORMZ: 230.10886
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H14
+INCHIKEY: XJKSTNDFUHDPQJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 25
+88.03077	233962	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+101.03861	353544	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+113.03854	437845	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+115.05423	690291	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+128.062	293046	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+151.05412	266397	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06195	961184
+153.06976	409346	"Theoretical m/z 153.069873, Mass diff 0 (0.74 ppm), SMILES *C=1C=CC(=CC1)C=2C=CC=CC2, Annotation [C12H10-H]+, Rule of HR True"
+176.06192	232793	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+189.06972	408734	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+200.0619	342984
+201.06986	238974	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07758	1292332
+203.08093	374439
+213.06973	256631	"Theoretical m/z 213.070425, Mass diff 0 (0 ppm), Formula C17H9"
+215.08548	1220866	"Theoretical m/z 215.086075, Mass diff 0 (0 ppm), Formula C17H11"
+216.08881	217320
+224.062	181393
+226.07771	1503774
+227.08588	1198323	"Theoretical m/z 227.086075, Mass diff 0 (0 ppm), Formula C18H11"
+228.09344	2885510
+229.10123	1791323
+230.10886	17890056	"Theoretical m/z 230.108994, Mass diff 0 (0.58 ppm), SMILES C=1C=CC(=CC1)C=2C=CC(=CC2)C=3C=CC=CC3, Annotation [C18H14]+, Rule of HR False"
+231.11214	3536976
+232.11542	320231
+
+NAME: Retene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2236.2
+PRECURSORMZ: 234.14029
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H18
+INCHIKEY: NXLOLUFNDSBYTP-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)C1=CC2=C(C=C1)C1=C(C=C2)C(C)=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 43
+76.03078	50868	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+88.03078	70382	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.0386	88033	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05428	47890	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.52686	48069
+94.53472	185982
+101.03864	312792	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+101.54031	57167
+102.04642	124380	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+106.53469	49550
+107.54251	62893
+108.03382	55874
+150.04642	46085
+152.06197	86605
+163.05409	91938	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06198	53769
+165.06982	159435	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+176.06198	128470	"Theoretical m/z 176.062048, Mass diff 0 (0.39 ppm), SMILES *C1=CC=C2C(C=CC3=C(*)C=CC=C32)=C1, Annotation [C14H10-2H]+, Rule of HR False"
+177.06981	45635	"Theoretical m/z 177.069873, Mass diff 0 (0.36 ppm), SMILES *C1=CC=C2C(C=CC3=C(*)C=CC=C32)=C1, Annotation [C14H10-H]+, Rule of HR True"
+178.07764	230278	"Theoretical m/z 178.077698, Mass diff 0 (0.33 ppm), SMILES *C1=CC=C2C(C=CC3=C(*)C=CC=C32)=C1, Annotation [C14H10]+, Rule of HR False"
+179.08545	79354	"Theoretical m/z 179.085524, Mass diff 0 (0.41 ppm), SMILES *C1=CC=C2C(C=CC3=C(*)C=CC=C32)=C1, Annotation [C14H10+H]+, Rule of HR True"
+187.05412	120708	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+188.06204	91728
+189.06981	885109	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+190.07764	398580
+191.08542	575438	"Theoretical m/z 191.085529, Mass diff 0 (0.57 ppm), SMILES *C=1C=CC=2C(=CC=C3C2C=CC=C3C)C1, Annotation [C15H12-H]+, Rule of HR True"
+192.08876	165350
+200.06201	88262
+201.06982	93849	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07764	1208429
+203.08548	1460292	"Theoretical m/z 203.085519, Mass diff 0 (0.19 ppm), SMILES *C(*)C=1C=CC=2C(=CC=C3C2C=CC=C3C)C1, Annotation [C16H14-3H]+, Rule of HR True"
+204.09332	2204384
+205.09653	422698
+213.06987	103841	"Theoretical m/z 213.070425, Mass diff 0 (0 ppm), Formula C17H9"
+215.08559	233458	"Theoretical m/z 215.086075, Mass diff 0 (0 ppm), Formula C17H11"
+216.09346	72731
+217.10126	319326	"Theoretical m/z 217.101725, Mass diff 0 (0 ppm), Formula C17H13"
+218.1091	123726
+219.11678	4416866	"Theoretical m/z 219.116825, Mass diff 0 (0.2 ppm), SMILES *C(C=1C=CC=2C(=CC=C3C2C=CC=C3C)C1)C, Annotation [C17H16-H]+, Rule of HR True"
+220.12013	809848
+221.12337	74338
+234.14029	2126373	"Theoretical m/z 234.140305, Mass diff 0 (0.07 ppm), SMILES C1=CC2=C3C=CC(=CC3=CC=C2C(=C1)C)C(C)C, Annotation [C18H18]+, Rule of HR False"
+235.14362	414935
+
+NAME: Benzo[b]naphtho[2,1-d]thiophene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2419.3
+PRECURSORMZ: 234.04965
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H10S
+INCHIKEY: YEUHHUCOSQOCIX-UHFFFAOYSA-N
+INCHI: 
+SMILES: S1C2=C(C=CC=C2)C2=C1C1=CC=CC=C1C=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 23
+91.05425	49130	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.52686	61653
+94.53469	76638
+104.01679	126871
+116.01675	112547
+117.02459	99108
+162.04623	54491
+163.05408	136418	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06198	56321
+187.05406	273349	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+188.06189	200750
+189.06969	453336	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+190.07306	77884
+200.06189	135620
+201.06973	74692	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07758	425058
+203.08086	72058
+226.07762	63460
+232.03409	769638
+233.04245	382457	"Theoretical m/z 233.042496, Mass diff -0.001 (0 ppm), Formula C16H9S"
+234.04965	4404102	"Theoretical m/z 234.049775, Mass diff 0 (0.53 ppm), SMILES S1C=2C=CC=CC2C=3C=CC=4C=CC=CC4C13, Annotation [C16H10S]+, Rule of HR False"
+235.05304	725574
+236.04547	251450
+
+NAME: 2,3-Benzofluorene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2257.5
+PRECURSORMZ: 216.09326
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H12
+INCHIKEY: HAPOJKSPCGLOOD-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 21
+93.52689	122035
+94.53471	241743
+95.03638	42130
+105.52688	47526
+106.53471	171653
+107.03639	60004
+107.5425	180288
+108.03385	97471
+163.05414	68194	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+187.05412	167183	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+188.06201	86262
+189.06975	239421	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+190.07321	37778
+211.05426	117044	"Theoretical m/z 211.054775, Mass diff 0 (0 ppm), Formula C17H7"
+212.06215	60813
+213.0699	808499	"Theoretical m/z 213.070425, Mass diff 0 (0 ppm), Formula C17H9"
+214.07317	202222
+215.0855	3634570	"Theoretical m/z 215.086075, Mass diff 0 (0 ppm), Formula C17H11"
+216.09326	2535030	"Theoretical m/z 216.093354, Mass diff 0 (0.44 ppm), SMILES C=1C=CC=2C=C3C(=CC2C1)C=4C=CC=CC4C3, Annotation [C17H12]+, Rule of HR False"
+217.09671	444170
+218.09999	37976
+
+NAME: Benzo[ghi]fluoranthene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2407.2
+PRECURSORMZ: 226.07765
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H10
+INCHIKEY: YEIHPPOCKIHUQJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=CC=C3C=CC4=CC=CC5=C4C3=C2C5=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 18
+99.02298	74026	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.03078	76805
+111.02295	69221	"Theoretical m/z 111.023475, Mass diff 0 (0 ppm), Formula C9H3"
+112.03079	455744
+112.53246	95630
+113.0386	418250	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+113.54031	80939
+120.02825	78267
+198.0463	104790
+200.06209	61742
+222.04649	263025
+223.05458	234728	"Theoretical m/z 223.054775, Mass diff 0 (0 ppm), Formula C18H7"
+224.06213	1414000
+225.06988	649979
+226.07765	5398062	"Theoretical m/z 226.077698, Mass diff 0 (0.21 ppm), SMILES C=1C=C2C=CC3=CC=C4C=CC=C5C(C1)=C2C3=C45, Annotation [C18H10]+, Rule of HR False"
+227.08095	1080509
+228.08421	96418
+243.08046	146566
+
+NAME: Triphenylene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2463.8
+PRECURSORMZ: 228.09323
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H12
+INCHIKEY: SLGBZMMZGDRARJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 21
+87.023	21883	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03081	43908	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+99.02294	15810	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.03076	39425
+112.03074	54678
+112.53249	16725
+113.03855	85780	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.54812	18547
+150.04651	16066
+187.05397	17106	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+199.054	17572	"Theoretical m/z 199.054775, Mass diff 0 (0 ppm), Formula C16H7"
+200.06192	62309
+201.06988	27046	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07762	30228
+224.06203	99131
+225.06992	37748	"Theoretical m/z 225.070425, Mass diff 0 (0 ppm), Formula C18H9"
+226.07767	470951
+227.0809	136683
+228.09323	1468276	"Theoretical m/z 228.093354, Mass diff 0 (0.54 ppm), SMILES C=1C=CC=2C(C1)=C3C=CC=CC3=C4C=CC=CC24, Annotation [C18H12]+, Rule of HR False"
+229.0966	330870
+230.09992	31249
+
+NAME: Benzanthracene/Benzophenanthrene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2470
+PRECURSORMZ: 228.09334
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H12
+INCHIKEY: WDECIBYCCFPHNR-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 25
+87.023	29895	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03081	29575	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+100.03081	62182
+101.03866	62926	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+112.03082	136963
+112.53252	31293
+113.03862	258577	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+113.54034	76555
+114.04646	77393
+126.53779	29136
+187.05421	34215	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+198.04637	30913
+200.06204	111911
+201.06996	44166	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07771	85990
+222.04651	26859
+223.0547	30182	"Theoretical m/z 223.054775, Mass diff 0 (0 ppm), Formula C18H7"
+224.06221	233297
+225.04309	131688
+226.0778	1030767
+227.08568	527629	"Theoretical m/z 227.086075, Mass diff 0 (0 ppm), Formula C18H11"
+228.09334	2527935	"Theoretical m/z 228.093354, Mass diff 0 (0.06 ppm), SMILES C=1C=CC2=C(C1)C=CC=3C=4C=CC=CC4C=CC23, Annotation [C18H12]+, Rule of HR False"
+229.09665	496974
+230.09999	43345
+243.08054	27970
+
+NAME: Benzofluoranthene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2770
+PRECURSORMZ: 252.09328
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H12
+INCHIKEY: FTOVXSOBNPWTSH-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 16
+112.03078	92832
+113.03859	111932	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+124.03081	93226
+126.04643	123459
+126.5481	43989
+222.04648	29360
+223.05458	29402	"Theoretical m/z 223.054775, Mass diff 0 (0 ppm), Formula C18H7"
+224.06206	107836
+225.04291	45245
+225.07063	30771	"Theoretical m/z 225.070425, Mass diff -0.001 (0 ppm), Formula C18H9"
+226.07773	74947
+249.07106	46911	"Theoretical m/z 249.070425, Mass diff -0.001 (0 ppm), Formula C20H9"
+250.07774	435201
+252.09328	2652227	"Theoretical m/z 252.093354, Mass diff 0 (0.29 ppm), SMILES C=1C=CC2=C(C1)C=C3C4=CC=CC=C4C5=CC=CC2=C53, Annotation [C20H12]+, Rule of HR False"
+253.0966	577732
+254.09994	44174
+
+NAME: Benzo(k)fluoranthene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2777.2
+PRECURSORMZ: 252.09329
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H12
+INCHIKEY: HAXBIWFMXWRORI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=CC3=C(C=C2C=C1)C1=C2C3=CC=CC2=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 18
+112.03078	43044
+113.03858	75085	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+124.03078	45022
+125.03863	78398	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+126.04642	94362
+126.5481	27102
+222.04645	16068
+224.06206	60746
+225.04289	19883
+225.0706	22970	"Theoretical m/z 225.070425, Mass diff -0.001 (0 ppm), Formula C18H9"
+226.07776	28424
+248.06213	85720
+249.07095	36042	"Theoretical m/z 249.070425, Mass diff -0.001 (0 ppm), Formula C20H9"
+250.07776	357881
+251.08008	71136
+252.09329	1507960	"Theoretical m/z 252.093354, Mass diff 0 (0.25 ppm), SMILES C=1C=CC=2C=C3C4=CC=CC5=CC=CC(C3=CC2C1)=C54, Annotation [C20H12]+, Rule of HR False"
+253.09663	333537
+254.09987	34334
+
+NAME: Benzo[e]pyrene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2844
+PRECURSORMZ: 252.09329
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H12
+INCHIKEY: TXVHTIQJNYSSKO-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C3C=CC=C4C=CC5=CC=CC(=C2C=C1)C5=C34
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 23
+112.03076	105103
+113.03858	219030	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+113.54031	43944
+124.03078	161778
+124.53243	44731
+125.0386	299139	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+125.54024	88489
+126.04641	165612
+126.54808	52843
+222.04643	56887
+223.05454	37614	"Theoretical m/z 223.054775, Mass diff 0 (0 ppm), Formula C18H7"
+224.06213	120740
+225.04291	54186
+225.07074	43806	"Theoretical m/z 225.070425, Mass diff -0.001 (0 ppm), Formula C18H9"
+226.07771	94525
+246.04645	39094
+248.06213	239626
+249.07086	106182	"Theoretical m/z 249.070425, Mass diff -0.001 (0 ppm), Formula C20H9"
+250.07774	1176289
+251.08101	278055
+252.09329	3415897	"Theoretical m/z 252.093354, Mass diff 0 (0.25 ppm), SMILES C1=CC=C2C(=C1)C3=CC=CC4=CC=C5C=CC=C2C5=C43, Annotation [C20H12]+, Rule of HR False"
+253.09662	736694
+254.09998	75914
+
+NAME: Benzo(a)pyrene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2858
+PRECURSORMZ: 252.09325
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H12
+INCHIKEY: FMMWHPNWAFZXNH-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 24
+112.03072	41789
+113.03854	102449	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+113.54023	17847
+124.03072	50756
+124.5324	15287
+125.03855	73592	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+125.54018	19254
+126.04639	83828
+126.54799	22756
+222.04634	20379
+223.02725	14338
+224.06204	53296
+225.04283	38026
+225.07071	18857	"Theoretical m/z 225.070425, Mass diff -0.001 (0 ppm), Formula C18H9"
+226.04164	41069
+227.02206	20138
+246.04645	13372
+248.06201	78718
+249.06969	29683
+250.07767	353758
+251.07976	82006
+252.09325	1333784	"Theoretical m/z 252.093354, Mass diff 0 (0.41 ppm), SMILES C=1C=CC2=C(C1)C=C3C=CC4=CC=CC=5C=CC2=C3C45, Annotation [C20H12]+, Rule of HR False"
+253.09656	273223
+254.09993	27594
+
+NAME: Indeno[1,2,3-cd]pyrene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3177
+PRECURSORMZ: 276.09332
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H12
+INCHIKEY: SXQBHARYMNFBPS-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C(C=C1)C1=C3C2=CC2=C4C(C=CC(C=C1)=C34)=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 22
+95.08554	20412	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+124.03075	22679
+125.03858	16093	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+136.03075	39462
+136.53239	12619
+137.03859	85814	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+137.54018	11865
+138.04637	50505
+138.54802	24913
+225.04285	90200
+227.02208	36290
+239.09486	10575
+248.06212	22915
+265.01981	10364
+266.99915	13104
+272.06207	55232
+273.07108	19727	"Theoretical m/z 273.070425, Mass diff -0.001 (0 ppm), Formula C22H9"
+274.07782	190377
+275.08582	65296
+276.09332	1030151	"Theoretical m/z 276.093354, Mass diff 0 (0.12 ppm), SMILES C1=CC=C2C(=C1)C3=CC=C4C=CC5=CC=CC=6C=C2C3=C4C56, Annotation [C22H12]+, Rule of HR False"
+277.09662	241507
+300.06079	11698
+
+NAME: Benzo(g,h,i)perylene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3243.5
+PRECURSORMZ: 276.09338
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H12
+INCHIKEY: GYFAGKUZYNFMBN-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C3C(=C1)C1=C4C(C=CC5=C4C3=C(C=C2)C=C5)=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 20
+124.03084	57676
+125.03864	75005	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+135.02298	31763	"Theoretical m/z 135.023475, Mass diff 0 (0 ppm), Formula C11H3"
+136.03082	148977
+136.53224	42591
+137.03864	290356	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+137.54022	73415
+138.04645	288373
+138.5481	68616
+246.0464	27591
+248.0621	40108
+270.04657	37125
+272.06229	168489
+273.07129	65870	"Theoretical m/z 273.070425, Mass diff -0.001 (0 ppm), Formula C22H9"
+274.07788	671532
+275.08588	230288
+276.09338	2681866	"Theoretical m/z 276.093354, Mass diff 0 (0.09 ppm), SMILES C=1C=C2C=CC3=CC=C4C=CC5=CC=CC=6C(C1)=C2C3=C4C56, Annotation [C22H12]+, Rule of HR False"
+277.09671	627125
+278.10919	90114
+299.06168	30645
+
+NAME: Anthanthrene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3283.5
+PRECURSORMZ: 276.09341
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H12
+INCHIKEY: YFIJJNAKSZUOLT-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=CC3=CC=C4C=CC=C5C=C6C=CC(=C1)C2=C6C3=C45
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 67
+75.02609	7848
+76.03082	5636
+78.04644	4705	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+81.06992	4757	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+91.05429	8761	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06209	5304	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+94.04138	4844
+107.04915	5991
+109.10132	5291	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+113.0386	4377	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+124.03089	12111
+125.03851	6595	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+128.06204	4649	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+133.01353	8187
+134.99268	8240
+136.03084	22008
+137.00851	57020
+137.54024	17475
+138.04643	26812
+149.04485	22197
+152.02367	8499
+164.94891	4889
+169.03465	6062
+180.98021	5262
+182.9593	5875
+192.0004	9008	"Theoretical m/z 192, Mass diff -0.001 (0 ppm), Formula C16"
+193.04991	13837
+195.99535	4850
+198.95444	11144
+198.99089	6135
+205.01685	4360
+208.03192	6489
+213.16377	4412
+221.08435	9000
+222.08383	4367
+223.02727	7661
+225.04291	60247
+227.02212	98115
+227.03964	39180
+230.98065	6118
+240.94675	7323
+246.04691	4686
+248.06224	10349
+254.96277	6951
+266.99921	23300
+267.99826	4466
+270.04721	4916
+272.06244	7952
+273.07007	11079	"Theoretical m/z 273.070425, Mass diff 0 (0 ppm), Formula C22H9"
+274.07779	41885
+275.08585	28068
+276.09341	430870	"Theoretical m/z 276.093354, Mass diff 0 (0.2 ppm), SMILES C=1C=C2C=CC3=CC=4C=CC=C5C=CC6=CC(C1)=C2C3=C6C54, Annotation [C22H12]+, Rule of HR False"
+277.09665	105495
+278.10895	19622
+282.05005	5444
+284.02939	6470
+285.07898	4518
+295.1033	4876
+299.06165	33777
+324.98645	13722
+345.04611	4428
+359.02838	17527
+360.02811	5838
+402.05512	4892
+415.03705	6324
+415.10632	5095
+429.08853	4883
+
+NAME: Dibenzanthracene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3190.5
+PRECURSORMZ: 278.10898
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H14
+INCHIKEY: LHRCREOYAASXPZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 22
+112.03078	35542
+113.03861	57361	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+124.03078	50346
+125.0386	90574	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+126.04641	48964
+137.03862	111686	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+137.54018	35297
+138.04643	203273
+138.54787	45930
+139.05423	182813	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.55591	42422
+209.01161	45566
+248.06212	52585
+250.07777	82835
+252.09337	49835
+274.07788	170654
+275.08099	59949
+276.09341	448922
+277.0958	79173
+278.10898	3045891	"Theoretical m/z 278.10901, Mass diff 0 (0.11 ppm), SMILES C=1C=CC2=C(C1)C=CC=3C=C4C(C=CC=5C=CC=CC54)=CC32, Annotation [C22H14]+, Rule of HR False"
+279.11237	717099
+280.11584	67309
+
+NAME: Coronene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3652.6
+PRECURSORMZ: 300.09329
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C24H12
+INCHIKEY: VPUGDVKSAQVFFS-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C3C4=C1C=CC1=C4C4=C(C=C1)C=CC1=C4C3=C(C=C2)C=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 47
+73.04683	19280
+76.03081	7509	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+89.03863	8585	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+93.06995	10072	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+117.06995	6686	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+135.06249	13427
+148.03076	46436
+149.04483	106848
+149.54024	25138
+150.04416	22522
+150.54814	16485
+151.02406	8591
+153.0033	11328
+163.05736	9815	"Theoretical m/z 163.054775, Mass diff -0.003 (0 ppm), Formula C13H7"
+164.94899	12741
+164.98532	6751
+178.96458	8493
+189.02164	7513
+194.99593	9849
+196.97514	24424
+198.95432	13089
+208.03178	7724
+209.0116	17798
+210.99088	14151
+211.06046	11994
+228.02112	10567
+230.00078	15014
+265.01987	30260
+266.0188	19136
+267.99832	8145
+270.97546	10257
+284.02945	24072
+285.0097	15805
+294.04626	18167
+296.0621	47886
+297.07056	8987
+298.0777	119660
+300.09329	666404	"Theoretical m/z 300.093354, Mass diff 0 (0.21 ppm), SMILES C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C=7C2=C3C4=C5C67, Annotation [C24H12]+, Rule of HR False"
+301.0581	175570
+302.05737	27042
+310.97104	7476
+324.98639	18845
+328.03519	7000
+345.0459	6943
+355.06979	23103
+387.07178	8677
+564.14606	7303
+
+
+NAME: Dicofol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2379.7
+PRECURSORMZ: 360.62118
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H9Cl5O
+INCHIKEY: UOAMTSKGCBMZTC-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 68
+70.07758	1205
+73.04679	1618
+74.01508	6661	"Theoretical m/z 74.015103, Mass diff 0 (0.3 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02293	13629	"Theoretical m/z 75.022928, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-3H]+, Rule of HR True"
+78.0464	5633	"Theoretical m/z 78.046403, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6]+, Rule of HR False"
+79.05421	6749	"Theoretical m/z 79.054228, Mass diff 0 (0.22 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6+H]+, Rule of HR True"
+79.92561	4789
+81.52682	3711
+81.92353	1082
+82.53467	1126
+88.03069	1627	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+93.9413	1127
+95.0491	2073	"Theoretical m/z 95.049141, Mass diff 0 (-0.43 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08553	2939
+98.01522	1558
+103.0542	2460	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06203	1110	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+106.07768	1781
+107.04919	1401	"Theoretical m/z 107.049141, Mass diff 0 (0.46 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+112.00734	1397
+116.06201	2173	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+118.99774	1106
+119.08553	1127
+120.97711	1315
+121.06471	2671	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.11658	1300
+126.04638	2864
+129.01012	5372	"Theoretical m/z 129.010717, Mass diff 0 (0 ppm), Formula C6H6ClO"
+133.01318	2948
+135.0625	2520
+135.1167	2172
+138.99445	45070	"Theoretical m/z 138.994516, Mass diff 0 (0.47 ppm), SMILES *C(*)(O)C1=CC=C(Cl)C=C1, Annotation [C7H7ClO-3H]+, Rule of HR True"
+139.00565	8682	"Theoretical m/z 139.008131, Mass diff 0.002 (0 ppm), Formula C5H9Cl2"
+140.9915	26059
+142.00615	1749
+147.08018	2601
+150.04419	2930
+153.00326	1740
+155.08543	1849
+159.11668	1461
+163.05411	13876	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06198	9135
+168.08856	1454
+169.03448	2253
+171.95169	1244
+175.14772	1364
+176.06165	9902	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+196.97522	1360
+199.03062	14723	"Theoretical m/z 199.030908, Mass diff 0 (1.45 ppm), SMILES *C1=CC=C(C=C1)C(*)(*)C2=CC=C(Cl)C=C2, Annotation [C13H11Cl-3H]+, Rule of HR True"
+221.08421	2564
+223.06361	1133
+225.04277	7546
+228.02126	3568
+229.00108	2533
+230.99824	1117
+251.00234	104885	"Theoretical m/z 251.002491, Mass diff 0 (0.6 ppm), SMILES *C(O)(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2, Annotation [C13H10Cl2O-H]+, Rule of HR True"
+251.85996	1664
+252.99939	65587
+254.00272	10181
+265.0195	1496
+266.99884	2730
+281.05069	2669
+299.06149	3239
+324.98612	1665
+359.02802	1144
+360.0278	1064
+387.00278	1743
+401.05405	1386
+
+NAME: Benzophenone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1659.6
+PRECURSORMZ: 182.07237
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H10O
+INCHIKEY: RWCCWEUUXYIKHB-UHFFFAOYSA-N
+INCHI: 
+SMILES: O=C(C1=CC=CC=C1)C1=CC=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 26
+71.08551	165195	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+74.01508	132161	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02605	76412
+76.03075	189457	"Theoretical m/z 76.030753, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03854	2828210	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04192	184114
+95.04913	741441	"Theoretical m/z 95.049141, Mass diff 0 (-0.12 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+96.05244	51218
+105.03347	4731062	"Theoretical m/z 105.033489, Mass diff 0 (0.18 ppm), SMILES *C(=O)C=1C=CC=CC1, Annotation [C7H6O-H]+, Rule of HR True"
+106.0368	312683
+107.08548	75829	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+126.04633	59227
+143.08542	59751	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+151.02399	81842
+152.0619	408670
+153.06973	269014	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07753	163239
+165.06975	87444	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+169.06461	89550	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+171.11665	96789
+181.06461	2793537	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+182.07237	3111469	"Theoretical m/z 182.072617, Mass diff 0 (1.36 ppm), SMILES O=C(C=1C=CC=CC1)C=2C=CC=CC2, Annotation [C13H10O]+, Rule of HR False"
+183.07573	414740
+223.06351	69496
+227.02197	62326
+299.06146	94478
+
+NAME: 2-tert-Butyl-4-methoxyphenol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1497.8
+PRECURSORMZ: 180.11436
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H16O2
+INCHIKEY: MRBKEAMVRSLQPH-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=CC=C(O)C(=C1)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 49
+77.03859	148040	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04644	81250	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05425	191027	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+81.06992	60999	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+85.06483	56103	"Theoretical m/z 85.06534, Mass diff 0 (0 ppm), Formula C5H9O"
+85.1012	78052	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+89.03861	25230	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05427	261518	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06208	45801	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06994	52345	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04137	59264	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08556	94663	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+103.05424	74495	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.0621	36061	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06993	159997	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04917	109957	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.0569	29716	"Theoretical m/z 108.056969, Mass diff 0 (0.64 ppm), SMILES *C1=CC=C(OC)C=C1*, Annotation [C7H8O]+, Rule of HR False"
+109.06484	229106	"Theoretical m/z 109.064794, Mass diff 0 (0.42 ppm), SMILES *C1=CC=C(OC)C=C1*, Annotation [C7H8O+H]+, Rule of HR True"
+110.03627	83531	"Theoretical m/z 110.036233, Mass diff 0 (0.34 ppm), SMILES *OC1=CC=C(O)C(*)=C1, Annotation [C6H6O2]+, Rule of HR False"
+110.10904	29407
+111.11685	44510	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+115.05424	114320	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06207	25313	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+121.06479	54930	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+122.07259	70647	"Theoretical m/z 122.073165, Mass diff 0 (0 ppm), Formula C8H10O"
+123.04398	40776	"Theoretical m/z 123.044056, Mass diff 0 (0.61 ppm), SMILES *C1=CC(OC)=CC=C1O, Annotation [C7H8O2-H]+, Rule of HR True"
+123.11684	44255	"Theoretical m/z 123.117375, Mass diff 0 (0 ppm), Formula C9H15"
+124.0519	124316	"Theoretical m/z 124.051881, Mass diff 0 (0.16 ppm), SMILES *C1=CC(OC)=CC=C1O, Annotation [C7H8O2]+, Rule of HR False"
+125.05968	65723	"Theoretical m/z 125.059706, Mass diff 0 (0.21 ppm), SMILES *C1=CC(OC)=CC=C1O, Annotation [C7H8O2+H]+, Rule of HR True"
+131.04916	55631	"Theoretical m/z 131.049148, Mass diff 0 (0.09 ppm), SMILES *C1=CC=C(OC)C=C1C(*)(*)C, Annotation [C9H12O-5H]+, Rule of HR True"
+131.08557	78310	"Theoretical m/z 131.085519, Mass diff 0 (0.39 ppm), SMILES *C1=CC=C(*)C(=C1)C(C)(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+132.05707	23954	"Theoretical m/z 132.056973, Mass diff 0 (0.74 ppm), SMILES *C1=CC=C(O)C(=C1)C(*)(C)C, Annotation [C9H12O-4H]+, Rule of HR False"
+133.06482	46405	"Theoretical m/z 133.064798, Mass diff 0 (0.17 ppm), SMILES *C1=CC=C(O)C(=C1)C(*)(C)C, Annotation [C9H12O-3H]+, Rule of HR True"
+135.04405	66827	"Theoretical m/z 135.044604, Mass diff 0 (0 ppm), Formula C8H7O2"
+135.11682	64142	"Theoretical m/z 135.116821, Mass diff 0 (-0.01 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+136.08829	24182	"Theoretical m/z 136.088273, Mass diff 0 (0.13 ppm), SMILES *C1=CC=C(O)C(=C1)C(*)(C)C, Annotation [C9H12O]+, Rule of HR False"
+137.05969	2336158	"Theoretical m/z 137.060255, Mass diff 0 (0 ppm), Formula C8H9O2"
+137.09605	42377	"Theoretical m/z 137.096098, Mass diff 0 (0.35 ppm), SMILES *C1=CC=C(O)C(=C1)C(*)(C)C, Annotation [C9H12O+H]+, Rule of HR True"
+138.06303	206506
+145.10114	79338	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+149.05959	65174	"Theoretical m/z 149.059701, Mass diff 0 (0.75 ppm), SMILES *C(*)(C1=CC(OC)=CC=C1O)C, Annotation [C9H12O2-3H]+, Rule of HR True"
+150.06747	69978	"Theoretical m/z 150.067526, Mass diff 0 (0.38 ppm), SMILES *C(*)(C1=CC(OC)=CC=C1O)C, Annotation [C9H12O2-2H]+, Rule of HR False"
+159.11673	29901
+165.09094	1455061	"Theoretical m/z 165.091007, Mass diff 0 (0.41 ppm), SMILES *C(C1=CC(OC)=CC=C1O)(C)C, Annotation [C10H14O2-H]+, Rule of HR True"
+166.0943	149393
+173.13234	32473
+180.11436	901463	"Theoretical m/z 180.114487, Mass diff 0 (0.71 ppm), SMILES OC1=CC=C(OC)C=C1C(C)(C)C, Annotation [C11H16O2]+, Rule of HR False"
+181.11768	96620
+225.04283	28440
+
+NAME: Butylated hydroxytoluene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1516.1
+PRECURSORMZ: 220.18211
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H24O
+INCHIKEY: NLZUEZXRPGMBCV-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 42
+77.03859	134136	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05426	103607	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+91.05428	396111	"Theoretical m/z 91.054226, Mass diff 0 (0.6 ppm), SMILES *C=1C=C(C=C(*)C1*)C, Annotation [C7H8-H]+, Rule of HR True"
+103.05424	62436	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06992	363669	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.08556	51196	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+115.05426	348690	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06208	93517	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06988	225217	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.08556	202423	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.06481	417214	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+128.06206	270274	"Theoretical m/z 128.062044, Mass diff 0 (0.12 ppm), SMILES *C=1C=C(*)C(*)=C(C1)C(C)(C)C, Annotation [C10H14-6H]+, Rule of HR False"
+129.06987	256685	"Theoretical m/z 129.069869, Mass diff 0 (0.01 ppm), SMILES *C=1C=C(*)C(*)=C(C1)C(C)(C)C, Annotation [C10H14-5H]+, Rule of HR True"
+130.07773	115685
+131.08557	165398	"Theoretical m/z 131.085519, Mass diff 0 (0.39 ppm), SMILES *C=1C=C(*)C(*)=C(C1)C(C)(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+133.0648	259464	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+135.08044	219286	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+137.09607	102006	"Theoretical m/z 137.09664, Mass diff 0 (0 ppm), Formula C9H13O"
+141.06985	160286	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07773	90025
+143.0855	90030	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.09331	50491	"Theoretical m/z 144.09335, Mass diff 0 (0.28 ppm), SMILES *C=1C=C(C=C(C1*)C(C)(C)C)C, Annotation [C11H16-4H]+, Rule of HR False"
+145.10115	488194	"Theoretical m/z 145.101175, Mass diff 0 (0.17 ppm), SMILES *C=1C=C(C=C(C1*)C(C)(C)C)C, Annotation [C11H16-3H]+, Rule of HR True"
+146.10443	74618
+147.0804	127152	"Theoretical m/z 147.080438, Mass diff 0 (0.26 ppm), SMILES *C=1C=C(*)C(O)=C(C1)C(C)(C)C, Annotation [C10H14O-3H]+, Rule of HR True"
+149.04483	224567
+149.09605	299547	"Theoretical m/z 149.096088, Mass diff 0 (0.26 ppm), SMILES *C=1C=C(*)C(O)=C(C1)C(C)(C)C, Annotation [C10H14O-H]+, Rule of HR True"
+153.06985	51751	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+155.06029	63349
+157.1011	88745	"Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13"
+159.11678	136371	"Theoretical m/z 159.117375, Mass diff 0 (0 ppm), Formula C12H15"
+161.09602	326534	"Theoretical m/z 161.09664, Mass diff 0 (0 ppm), Formula C11H13O"
+163.11169	90720	"Theoretical m/z 163.111744, Mass diff 0 (0.33 ppm), SMILES *C=1C=C(C=C(C1O)C(C)(C)C)C, Annotation [C11H16O-H]+, Rule of HR True"
+165.06982	50287	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.08545	69472	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+177.1273	1719075	"Theoretical m/z 177.12794, Mass diff 0 (0 ppm), Formula C12H17O"
+178.13065	221533
+189.12729	232148	"Theoretical m/z 189.127389, Mass diff 0 (0.52 ppm), SMILES *C=1C=C(C(O)=C(C1)C(C)(C)C)C(*)(C)C, Annotation [C13H20O-3H]+, Rule of HR True"
+205.15862	4918040	"Theoretical m/z 205.158695, Mass diff 0 (0.36 ppm), SMILES *C=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C, Annotation [C14H22O-H]+, Rule of HR True"
+206.16196	746214
+220.18211	1306466	"Theoretical m/z 220.18216, Mass diff 0 (0.23 ppm), SMILES OC=1C(=CC(=CC1C(C)(C)C)C)C(C)(C)C, Annotation [C15H24O]+, Rule of HR False"
+221.18544	205624
+
+NAME: Bumetrizole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2541.5
+PRECURSORMZ: 315.1131
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H18ClN3O
+INCHIKEY: OCWYEMOEOGEQAN-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=C(O)C(=C1)N1N=C2C=CC(Cl)=CC2=N1)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 91
+70.07765	2758	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+73.04681	2496
+76.01814	5431	"Theoretical m/z 76.018724, Mass diff 0 (0 ppm), Formula C5H2N"
+77.03857	12175	"Theoretical m/z 77.038575, Mass diff 0 (0.07 ppm), SMILES *C=1C=CC(*)(*)C(*)(*)C1, Annotation [C6H8-3H]+, Rule of HR True"
+78.04641	9137	"Theoretical m/z 78.046401, Mass diff 0 (0.12 ppm), SMILES *C=1C=CC(*)(*)C(*)(*)C1, Annotation [C6H8-2H]+, Rule of HR False"
+79.05421	9113	"Theoretical m/z 79.054226, Mass diff 0 (0.2 ppm), SMILES *C=1C=CC(*)(*)C(*)(*)C1, Annotation [C6H8-H]+, Rule of HR True"
+80.06201	4129	"Theoretical m/z 80.062051, Mass diff 0 (0.51 ppm), SMILES *C=1C=CC(*)(*)C(*)(*)C1, Annotation [C6H8]+, Rule of HR False"
+81.06988	5108	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+81.92357	1197
+83.08552	2993	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+85.10117	1070	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.044	2339
+90.03381	3983	"Theoretical m/z 90.033822, Mass diff 0 (0.14 ppm), SMILES *N=C1C=CC(*)=CC1(*)*, Annotation [C6H7N-3H]+, Rule of HR True"
+91.05424	21818	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES *C=1C=C(C=C(*)C1*)C, Annotation [C7H8-H]+, Rule of HR True"
+92.06204	8184	"Theoretical m/z 92.062051, Mass diff 0 (0.12 ppm), SMILES *C=1C=C(C=C(*)C1*)C, Annotation [C7H8]+, Rule of HR False"
+93.06988	5852	"Theoretical m/z 93.069876, Mass diff 0 (0.05 ppm), SMILES *C=1C=C(C=C(*)C1*)C, Annotation [C7H8+H]+, Rule of HR True"
+97.1012	2266	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+98.99957	5500	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+104.06205	3841	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06988	3275	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+114.01049	850	"Theoretical m/z 114.011052, Mass diff 0 (0 ppm), Formula C5H5ClN"
+115.05419	20472	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04944	2148	"Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N"
+117.0698	9297	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.0855	77410	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.08881	3310
+121.06477	7318	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.11674	2310	"Theoretical m/z 123.117375, Mass diff 0 (0 ppm), Formula C9H15"
+124.12006	1158
+125.13232	3489	"Theoretical m/z 125.133026, Mass diff 0 (0 ppm), Formula C9H17"
+126.01049	11273	"Theoretical m/z 126.010502, Mass diff 0 (0.09 ppm), SMILES *N=C1C=CC(Cl)=CC1(*)*, Annotation [C6H6ClN-H]+, Rule of HR True"
+129.06976	5386	"Theoretical m/z 129.069869, Mass diff 0 (0.85 ppm), SMILES *C=1C=C(*)C(*)=C(C1)C(C)(C)C, Annotation [C10H14-5H]+, Rule of HR True"
+131.04918	10642
+132.08066	781	"Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N"
+135.11678	2136	"Theoretical m/z 135.116821, Mass diff 0 (-0.31 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+137.13232	1063	"Theoretical m/z 137.133026, Mass diff 0 (0 ppm), Formula C10H17"
+139.05412	1332	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.14819	981	"Theoretical m/z 139.148676, Mass diff 0 (0 ppm), Formula C10H19"
+143.08536	3112	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+145.06483	7698	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+146.07251	4089	"Theoretical m/z 146.072613, Mass diff 0 (0.7 ppm), SMILES *C=1C=C(*)C(O)=C(C1)C(C)(C)C, Annotation [C10H14O-4H]+, Rule of HR False"
+147.08032	11953	"Theoretical m/z 147.080438, Mass diff 0 (0.8 ppm), SMILES *C=1C=C(*)C(O)=C(C1)C(C)(C)C, Annotation [C10H14O-3H]+, Rule of HR True"
+150.04437	1866	"Theoretical m/z 150.043415, Mass diff -0.002 (0 ppm), Formula C4H9ClN3O"
+153.00317	1216
+154.01648	5686	"Theoretical m/z 154.016645, Mass diff 0 (1.07 ppm), SMILES *N1N=C2C=CC(Cl)=CC2=N1, Annotation [C6H4ClN3+H]+, Rule of HR True"
+154.06477	1891	"Theoretical m/z 154.065674, Mass diff 0 (0 ppm), Formula C11H8N"
+155.08525	885	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+157.10074	1272	"Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13"
+160.07561	4335	"Theoretical m/z 160.075683, Mass diff 0 (0.45 ppm), SMILES *C=1C=C(C(O)=C(C1)C(C)(C)C)N(*)*, Annotation [C10H15NO-5H]+, Rule of HR True"
+163.14798	1416	"Theoretical m/z 163.148676, Mass diff 0 (0 ppm), Formula C12H19"
+164.06174	1161	"Theoretical m/z 164.059065, Mass diff -0.003 (0 ppm), Formula C5H11ClN3O"
+165.16365	914
+166.07764	2284	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.05536	5703
+169.03461	2231
+171.95161	1450
+175.09918	4848	"Theoretical m/z 175.099163, Mass diff 0 (0.1 ppm), SMILES *N(*)C1=CC(=CC(=C1O)C(C)(C)C)C, Annotation [C11H17NO-4H]+, Rule of HR False"
+181.06461	2843	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+184.08809	5495	"Theoretical m/z 184.089302, Mass diff 0.001 (0 ppm), Formula C10H15ClN"
+192.98012	1036
+194.09618	903	"Theoretical m/z 194.096974, Mass diff 0 (0 ppm), Formula C14H12N"
+196.97493	1301
+205.19484	1403
+207.0321	3998	"Theoretical m/z 207.032516, Mass diff 0 (0 ppm), Formula C10H8ClN2O"
+209.01146	3403	"Theoretical m/z 209.013973, Mass diff 0.002 (0 ppm), Formula C15HN2"
+210.99089	3166	"Theoretical m/z 210.995067, Mass diff 0.004 (0 ppm), Formula C13H4ClO"
+214.04167	2518	"Theoretical m/z 214.042352, Mass diff 0 (0 ppm), Formula C13H9ClN"
+219.21068	1091
+223.06366	1876	"Theoretical m/z 223.063816, Mass diff 0 (0 ppm), Formula C11H12ClN2O"
+229.00099	1068
+230.03664	3270	"Theoretical m/z 230.037267, Mass diff 0 (0 ppm), Formula C13H9ClNO"
+258.12753	1685
+259.06796	853	"Theoretical m/z 259.063816, Mass diff -0.005 (0 ppm), Formula C14H12ClN2O"
+266.99875	1221
+272.05844	26223	"Theoretical m/z 272.059065, Mass diff 0 (0 ppm), Formula C14H11ClN3O"
+273.06094	8035
+274.05554	29276
+295.21634	4699
+299.06143	3988
+301.09305	23735
+303.09021	8836
+315.1131	22960	"Theoretical m/z 315.113282, Mass diff 0 (0.58 ppm), SMILES ClC=1C=CC2=NN(N=C2C1)C3=CC(=CC(=C3O)C(C)(C)C)C, Annotation [C17H18ClN3O]+, Rule of HR False"
+316.11664	21027
+325.98615	858
+341.01709	1332
+355.06982	3136
+356.06986	1160
+361.02457	983
+415.03641	2420
+475.1413	1914
+489.12488	1010
+
+NAME: 4-Methylbenzophenone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1786.6
+PRECURSORMZ: 196.08788
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H12O
+INCHIKEY: WXPWZZHELZEVPO-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 25
+77.03848	637746	"Theoretical m/z 77.038578, Mass diff 0 (1.27 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04632	54478	"Theoretical m/z 78.046403, Mass diff 0 (1.06 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+89.03848	232060	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04635	66496	"Theoretical m/z 90.046401, Mass diff 0 (0.56 ppm), SMILES *C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05412	1468510	"Theoretical m/z 91.054226, Mass diff 0 (1.16 ppm), SMILES *C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05748	110229
+95.04905	221257	"Theoretical m/z 95.049141, Mass diff 0 (-0.96 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+96.03372	103955
+105.03339	718545	"Theoretical m/z 105.033489, Mass diff 0 (0.94 ppm), SMILES *C(=O)C=1C=CC=CC1, Annotation [C7H6O-H]+, Rule of HR True"
+106.03673	59021
+109.06468	343607	"Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O"
+115.05405	64684	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.04899	4571288	"Theoretical m/z 119.049144, Mass diff 0 (1.3 ppm), SMILES *C(=O)C1=CC=C(C=C1)C, Annotation [C8H8O-H]+, Rule of HR True"
+120.05232	387036
+152.06174	206442
+153.06952	120073	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+164.06168	48032
+165.0696	296941	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07284	70774
+167.08519	101912	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+181.06439	2728311	"Theoretical m/z 181.064792, Mass diff 0 (2.22 ppm), SMILES *C1=CC=C(C=C1)C(=O)C=2C=CC=CC2, Annotation [C13H10O-H]+, Rule of HR True"
+182.06775	379502
+195.08009	108307	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+196.08788	789222	"Theoretical m/z 196.088273, Mass diff 0 (2 ppm), SMILES O=C(C=1C=CC=CC1)C2=CC=C(C=C2)C, Annotation [C14H12O]+, Rule of HR False"
+197.09122	114580
+
+NAME: 2,4,6-Tribromophenol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1677.9
+PRECURSORMZ: 327.77258
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6H3Br3O
+INCHIKEY: BSWWXRFVMJHFBN-UHFFFAOYSA-N
+INCHI: 
+SMILES: OC1=C(Br)C=C(Br)C=C1Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 85
+72.08886	13064
+74.01511	9621	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+77.03856	32167
+78.91777	16718	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.05422	58824
+80.91577	27550
+81.06988	13820
+82.07769	37606
+83.08549	15743
+86.10449	13020
+90.01006	34871
+91.05424	86976
+92.06204	56863
+93.0699	267355
+94.04133	31807
+95.08553	36179
+96.09334	15184
+97.10117	15355
+107.0855	90059
+108.09332	12041
+109.10118	20245
+110.10893	12902
+111.11681	14800
+115.92555	13025
+116.04942	16767
+116.93339	18978	"Theoretical m/z 116.933987, Mass diff 0 (0 ppm), Formula C3H2Br"
+117.06982	16711
+117.92346	10616
+118.06501	26323
+118.9314	17413
+119.08547	15368
+121.1011	12148
+122.10892	58838
+125.13243	20715
+128.06198	9673
+130.06497	10507
+132.09325	8587
+138.91742	11632	"Theoretical m/z 138.918337, Mass diff 0 (0 ppm), Formula C5Br"
+139.92552	14985
+140.93335	235620	"Theoretical m/z 140.933987, Mass diff 0 (0 ppm), Formula C5H2Br"
+141.93677	35524
+142.93132	228564
+143.08545	6890
+143.93459	18952
+144.09325	7202
+149.04477	10957
+154.07745	7390
+157.93604	20018
+158.9437	14518	"Theoretical m/z 158.944552, Mass diff 0 (0 ppm), Formula C5H4BrO"
+159.93404	21665
+160.9418	15633
+169.10104	19041
+169.93597	46905
+171.93398	52591
+184.12454	11352
+185.13236	11329
+194.84375	9627	"Theoretical m/z 194.844499, Mass diff 0 (0 ppm), Formula C3HBr2"
+196.84166	17378
+198.83971	9209	"Theoretical m/z 198.839414, Mass diff -0.001 (0 ppm), Formula C2HBr2O"
+209.01148	10219
+209.13217	7603
+219.85167	29381
+220.85945	73926	"Theoretical m/z 220.860149, Mass diff 0 (0 ppm), Formula C5H3Br2"
+221.84961	51818
+222.85744	116586
+223.84756	31566
+224.85535	58582	"Theoretical m/z 224.855064, Mass diff -0.001 (0 ppm), Formula C4H3Br2O"
+225.04277	9999
+247.84653	53226
+248.85477	21335
+249.84448	114206
+250.85266	42020
+251.84236	70157
+252.8506	23418
+253.8578	6994
+300.768	16119
+302.76596	16880	"Theoretical m/z 302.765576, Mass diff -0.001 (0 ppm), Formula C4H2Br3O"
+327.77258	219979	"Theoretical m/z 327.772858, Mass diff 0 (0.85 ppm), SMILES BrC=1C=C(Br)C(O)=C(Br)C1, Annotation [C6H3Br3O]+, Rule of HR False"
+328.77554	19358
+329.77054	674159
+330.77386	48668
+331.76843	631579
+332.77176	44568
+333.76639	208218
+334.76987	12847
+
+NAME: 2,6-Dichloro-4-nitroaniline
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1755.7
+PRECURSORMZ: 205.96413
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6H4Cl2N2O2
+INCHIKEY: BIXZHMJUSMUDOQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 94
+70.07762	1519
+72.08874	7534
+72.98383	10397	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+78.91771	2501
+80.06195	1467
+81.0698	14405
+82.07758	1590
+82.53455	1148
+86.10443	6354
+87.04401	3042
+89.03846	5235
+90.03374	9092	"Theoretical m/z 90.034374, Mass diff 0 (0 ppm), Formula C6H4N"
+93.94112	2747
+94.04125	5645
+96.09324	9043
+96.98386	33627	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.98094	5844
+99.08028	1767
+99.11669	5294
+100.12	1097
+106.07764	3461
+108.09319	1158
+110.10886	6545
+111.99465	2650	"Theoretical m/z 111.995402, Mass diff 0 (0 ppm), Formula C5H3ClN"
+113.13227	9708
+118.07741	2303
+121.10098	1387
+122.1088	1776
+123.11662	1916
+123.9947	58628	"Theoretical m/z 123.994851, Mass diff 0 (1.22 ppm), SMILES *C=1C=C(*)C(N)=C(Cl)C1, Annotation [C6H6ClN-3H]+, Rule of HR True"
+125.00256	5343
+125.99171	21401
+127.05412	1267
+127.148	6527
+132.96051	14383	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+134.95746	10229
+138.14004	1057
+139.05399	1565
+139.14784	2972
+139.98952	1611	"Theoretical m/z 139.989768, Mass diff 0 (1.77 ppm), SMILES *C=1C=C(C=C(Cl)C1*)[N+](*)=O, Annotation [C6H5ClNO-2H]+, Rule of HR False"
+142.0052	3255	"Theoretical m/z 142.005418, Mass diff 0 (1.53 ppm), SMILES *C=1C=C(C=C(Cl)C1*)[N+](*)=O, Annotation [C6H5ClNO]+, Rule of HR False"
+147.11653	3342
+147.97133	20218	"Theoretical m/z 147.972079, Mass diff 0 (0 ppm), Formula C5H4Cl2N"
+149.13222	2859
+149.96834	14443
+150.14003	1526
+151.96526	1042
+153.02039	2533
+153.16336	993
+156.09297	5180
+159.11659	3017
+159.97116	21720	"Theoretical m/z 159.971531, Mass diff 0 (2.32 ppm), SMILES *C=1C=C(Cl)C(N)=C(Cl)C1, Annotation [C6H5Cl2N-H]+, Rule of HR True"
+160.12431	1207
+161.96817	11623
+163.14796	922
+169.10082	17437
+170.10443	1813
+174.12767	1171
+175.9661	91344	"Theoretical m/z 175.966447, Mass diff 0 (1.97 ppm), SMILES *C1=C(Cl)C=C(C=C1Cl)[N+](*)=O, Annotation [C6H4Cl2NO]+, Rule of HR False"
+176.96936	2540
+177.96314	50607
+179.17888	1005
+179.96002	5775
+184.08792	4477
+185.13203	3893
+189.16328	1707
+189.96899	5264
+191.08481	2848
+192.00021	1659
+195.11664	1056
+197.04445	1488
+198.13983	4526
+205.96413	50645	"Theoretical m/z 205.964432, Mass diff 0 (1.47 ppm), SMILES O=[N+]([O-])C1=CC(Cl)=C(N)C(Cl)=C1, Annotation [C6H4Cl2N2O2]+, Rule of HR False"
+206.96736	940
+207.96118	32753
+208.0316	2379
+209.13228	1133
+209.95816	1972
+210.01059	3054
+211.06015	4292
+217.19478	1854
+229.19513	1241
+231.21069	1170
+232.21797	4434
+266.99866	4275
+285.00928	5158
+325.98483	988
+329.01407	1954
+330.95914	1905
+416.10773	1365
+418.99442	2957
+429.0878	2453
+475.07263	1159
+535.10876	952
+
+
+NAME: 1-Methylphenanthrene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1967.3
+PRECURSORMZ: 192.09314
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H12
+INCHIKEY: DOWJXOHBNXRUOD-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C2C=CC3=CC=CC=C3C2=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 27
+81.52688	156138
+82.53469	149017
+87.02295	80414	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+93.52692	194930
+94.53471	563090
+95.03639	154028
+96.03387	133162
+108.03385	81225
+115.05428	76529	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+139.0542	113921	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+150.04642	119362
+151.05411	64375	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.062	120785
+162.04634	80253
+163.05417	339482	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06197	278118
+165.06982	1216416	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07321	178307
+176.06192	211960	"Theoretical m/z 176.062048, Mass diff 0 (0.73 ppm), SMILES *C1=CC=CC2=C1C=CC=3C=CC=CC32, Annotation [C14H10-2H]+, Rule of HR False"
+187.05421	331565	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+188.06201	276368
+189.06987	2666388	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+190.07762	1522730
+191.0854	5124996	"Theoretical m/z 191.086075, Mass diff 0 (0 ppm), Formula C15H11"
+192.09314	6308095	"Theoretical m/z 192.093354, Mass diff 0 (1.11 ppm), SMILES C=1C=CC2=C(C1)C=CC3=C2C=CC=C3C, Annotation [C15H12]+, Rule of HR False"
+193.09648	951522
+194.09988	73655
+
+NAME: Triclosan
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2122.8
+PRECURSORMZ: 287.95074
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H7Cl3O2
+INCHIKEY: XEFQLINVKFYRCS-UHFFFAOYSA-N
+INCHI: 
+SMILES: OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 93
+73.04685	16633
+74.01516	13175	"Theoretical m/z 74.015103, Mass diff 0 (0.78 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02615	14958
+76.03084	2431
+77.03861	3137	"Theoretical m/z 77.038578, Mass diff 0 (0.42 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.0543	13330	"Theoretical m/z 79.054228, Mass diff 0 (0.91 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6+H]+, Rule of HR True"
+79.92556	1179
+80.91583	4514
+81.06997	2815
+81.92362	2482
+83.08562	8252
+85.99185	17787
+87.04412	13473	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+89.03864	4033
+92.05759	4560
+93.94132	1246
+97.9918	1979
+99.04417	4352	"Theoretical m/z 99.044604, Mass diff 0 (0 ppm), Formula C5H7O2"
+101.05977	6972
+108.98403	12560	"Theoretical m/z 108.983957, Mass diff 0 (0.67 ppm), SMILES *C1=CC=C(Cl)C=C1*, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.1012	3077
+113.98679	17617
+114.99461	28853	"Theoretical m/z 114.995067, Mass diff 0 (0 ppm), Formula C5H4ClO"
+115.05424	2524	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+115.9839	2684
+116.06207	2004
+116.99161	10363
+117.06992	1298
+118.07759	1860
+119.08554	1861
+121.06488	2984
+129.06981	1717
+131.0856	1295
+131.99739	2103	"Theoretical m/z 132, Mass diff 0.002 (0 ppm), Formula C11"
+132.96074	5163	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+133.10126	1305
+136.0883	1223
+141.0697	2440
+142.98941	9641	"Theoretical m/z 142.989429, Mass diff 0 (0.13 ppm), SMILES *OC1=CC=C(Cl)C=C1O, Annotation [C6H5ClO2-H]+, Rule of HR True"
+143.1067	7522
+145.96848	47289
+147.06569	2189
+147.96553	37978
+148.96875	1227
+149.96256	6569
+152.06203	2854
+155.04933	13762	"Theoretical m/z 155.04969, Mass diff 0 (0 ppm), Formula C11H7O"
+157.12207	2282
+161.96344	3200
+162.02301	8798
+163.9605	3363
+165.06985	2684
+169.03465	2190
+171.95177	1154
+172.96693	2603	"Theoretical m/z 172.969158, Mass diff 0.002 (0 ppm), Formula C5H8Cl3"
+173.94983	2545
+178.07754	1113
+181.06474	2727
+183.08048	3810
+184.0882	1266
+185.15334	1211
+189.01002	12766	"Theoretical m/z 189.010717, Mass diff 0 (0 ppm), Formula C11H6ClO"
+192.98048	1117	"Theoretical m/z 192.98231, Mass diff 0.001 (0 ppm), Formula C7H7Cl2O2"
+193.04993	1148
+195.9839	1406
+196.97514	1406
+197.13252	1603
+200.97318	1653	"Theoretical m/z 200.974332, Mass diff 0.001 (0 ppm), Formula C11H2ClO2"
+208.03184	1515
+211.06055	4096
+217.00513	6298	"Theoretical m/z 217.00509, Mass diff 0 (0.18 ppm), SMILES *C1=CC=C(OC2=CC=C(Cl)C=C2O)C(*)=C1, Annotation [C12H9ClO2-3H]+, Rule of HR True"
+218.01298	76295
+219.01636	12735
+220.01001	31464
+221.0136	5755
+239.09511	4953
+241.09172	1803
+241.21603	1715
+251.97409	17726
+252.98207	27700	"Theoretical m/z 252.981769, Mass diff 0 (1.19 ppm), SMILES *C1=CC(Cl)=CC=C1OC2=CC=C(Cl)C=C2O, Annotation [C12H8Cl2O2-H]+, Rule of HR True"
+253.97113	13178
+254.97897	19161
+255.2321	7201
+265.01981	1155
+266.99933	2349
+283.0307	3000
+287.00674	2282
+287.95074	105160	"Theoretical m/z 287.950623, Mass diff 0 (0.41 ppm), SMILES ClC1=CC=C(OC2=CC=C(Cl)C=C2O)C(Cl)=C1, Annotation [C12H7Cl3O2]+, Rule of HR False"
+288.95429	9821
+289.94778	99377
+290.95123	15124
+291.94488	25350
+400.98502	2332
+
+NAME: Drometrizole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2085.6
+PRECURSORMZ: 225.0898
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H11N3O
+INCHIKEY: MCPKSFINULVDNX-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 29
+76.03082	15009	"Theoretical m/z 76.030753, Mass diff 0 (0.89 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03864	33079	"Theoretical m/z 77.038578, Mass diff 0 (0.81 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04651	48189	"Theoretical m/z 78.046403, Mass diff 0 (1.37 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6]+, Rule of HR False"
+91.04177	73799	"Theoretical m/z 91.041647, Mass diff 0 (1.35 ppm), SMILES *N=C1C=CC=CC1(*)*, Annotation [C6H7N-2H]+, Rule of HR False"
+92.04958	85947	"Theoretical m/z 92.049472, Mass diff 0 (1.17 ppm), SMILES *N=C1C=CC=CC1(*)*, Annotation [C6H7N-H]+, Rule of HR True"
+93.05743	117864	"Theoretical m/z 93.057297, Mass diff 0 (1.42 ppm), SMILES *N=C1C=CC=CC1(*)*, Annotation [C6H7N]+, Rule of HR False"
+94.04144	13541	"Theoretical m/z 94.041313, Mass diff 0 (1.35 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04927	12490	"Theoretical m/z 95.049141, Mass diff 0 (1.36 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+105.07001	20705	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+115.05433	23509	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.04771	15500	"Theoretical m/z 119.047799, Mass diff 0 (0.75 ppm), SMILES *N1N=C2C=CC=CC2=N1, Annotation [C6H5N3]+, Rule of HR False"
+120.05561	29154	"Theoretical m/z 120.055624, Mass diff 0 (0.12 ppm), SMILES *N1N=C2C=CC=CC2=N1, Annotation [C6H5N3+H]+, Rule of HR True"
+128.0621	18543	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+130.06523	11866	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+141.06995	20135	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+154.06519	142192	"Theoretical m/z 154.065674, Mass diff 0 (0 ppm), Formula C11H8N"
+155.06044	34708	"Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2"
+166.06523	15144	"Theoretical m/z 166.065674, Mass diff 0 (0 ppm), Formula C12H8N"
+167.07303	129768
+168.08078	249176	"Theoretical m/z 168.081324, Mass diff 0 (0 ppm), Formula C12H10N"
+169.08423	47360
+180.08086	15626	"Theoretical m/z 180.08078, Mass diff 0 (0.44 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+182.0601	28026	"Theoretical m/z 182.060589, Mass diff 0 (0 ppm), Formula C12H8NO"
+196.07574	145844	"Theoretical m/z 196.076239, Mass diff 0 (0 ppm), Formula C13H10NO"
+197.07906	23997
+224.08197	120301	"Theoretical m/z 224.082387, Mass diff 0 (0 ppm), Formula C13H10N3O"
+225.0898	1182014	"Theoretical m/z 225.089661, Mass diff 0 (0.62 ppm), SMILES OC1=CC=C(C=C1N2N=C3C=CC=CC3=N2)C, Annotation [C13H11N3O]+, Rule of HR False"
+226.04201	13272
+226.09306	178902
+
+NAME: Enzacamene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2079
+PRECURSORMZ: 254.16666
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H22O
+INCHIKEY: HEOCBCNFKCOKBX-SDNWHVSQSA-N
+INCHI: 
+SMILES: CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 118
+75.02613	11373
+76.03079	16087	"Theoretical m/z 76.030753, Mass diff 0 (0.49 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03863	54017	"Theoretical m/z 77.038578, Mass diff 0 (0.68 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04649	22865	"Theoretical m/z 78.046403, Mass diff 0 (1.12 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6]+, Rule of HR False"
+79.0543	64085	"Theoretical m/z 79.054228, Mass diff 0 (0.91 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06997	15148	"Theoretical m/z 81.069878, Mass diff 0 (1.14 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.08556	10080	"Theoretical m/z 83.085527, Mass diff 0 (0.4 ppm), SMILES *C(*)C(C)(C)C(*)(*)C, Annotation [C6H14-3H]+, Rule of HR True"
+89.03864	49966	"Theoretical m/z 89.038575, Mass diff 0 (0.72 ppm), SMILES *C1=CC=C(C=C1)C(*)*, Annotation [C7H8-3H]+, Rule of HR True"
+90.04641	5802	"Theoretical m/z 90.046401, Mass diff 0 (0.11 ppm), SMILES *C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05433	135182	"Theoretical m/z 91.054226, Mass diff 0 (1.15 ppm), SMILES *C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.06214	34007	"Theoretical m/z 92.062052, Mass diff 0 (0.96 ppm), SMILES *C1CCC(*)(*)C1(C)C, Annotation [C7H14-6H]+, Rule of HR False"
+93.07002	73428	"Theoretical m/z 93.069877, Mass diff 0 (1.54 ppm), SMILES *C1CCC(*)(*)C1(C)C, Annotation [C7H14-5H]+, Rule of HR True"
+94.04143	43089	"Theoretical m/z 94.041313, Mass diff 0 (1.24 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08562	72691	"Theoretical m/z 95.085527, Mass diff 0 (0.98 ppm), SMILES *C1CCC(*)(*)C1(C)C, Annotation [C7H14-3H]+, Rule of HR True"
+96.03384	16227
+96.08894	7883
+102.04648	27576	"Theoretical m/z 102.046401, Mass diff 0 (0.78 ppm), SMILES *C(*)=CC1=CC=C(*)C=C1, Annotation [C8H8-2H]+, Rule of HR False"
+103.05432	26634	"Theoretical m/z 103.054226, Mass diff 0 (0.92 ppm), SMILES *C(*)=CC1=CC=C(*)C=C1, Annotation [C8H8-H]+, Rule of HR True"
+104.06216	11120	"Theoretical m/z 104.062048, Mass diff 0 (1.07 ppm), SMILES *C(*)C1=CC=C(C=C1)C, Annotation [C8H10-2H]+, Rule of HR False"
+105.06999	206161	"Theoretical m/z 105.069873, Mass diff 0 (1.11 ppm), SMILES *C(*)C1=CC=C(C=C1)C, Annotation [C8H10-H]+, Rule of HR True"
+106.0778	88693	"Theoretical m/z 106.077698, Mass diff 0 (0.96 ppm), SMILES *C(*)C1=CC=C(C=C1)C, Annotation [C8H10]+, Rule of HR False"
+107.08559	39853	"Theoretical m/z 107.085524, Mass diff 0 (0.62 ppm), SMILES *C(*)C1=CC=C(C=C1)C, Annotation [C8H10+H]+, Rule of HR True"
+108.09341	58614	"Theoretical m/z 108.09335, Mass diff 0 (0.56 ppm), SMILES *C1CCC(*)(C)C1(C)C, Annotation [C8H16-4H]+, Rule of HR False"
+109.10125	15300	"Theoretical m/z 109.101175, Mass diff 0 (0.69 ppm), SMILES *C1CCC(*)(C)C1(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+113.0387	5968	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+115.05432	287582	"Theoretical m/z 115.054223, Mass diff 0 (0.84 ppm), SMILES *C(*)=CC1=CC=C(C=C1)C, Annotation [C9H10-3H]+, Rule of HR True"
+116.06212	69272	"Theoretical m/z 116.062048, Mass diff 0 (0.62 ppm), SMILES *C(*)=CC1=CC=C(C=C1)C, Annotation [C9H10-2H]+, Rule of HR False"
+117.06991	52335	"Theoretical m/z 117.069873, Mass diff 0 (0.31 ppm), SMILES *C(*)=CC1=CC=C(C=C1)C, Annotation [C9H10-H]+, Rule of HR True"
+118.07776	9759
+119.08562	69386	"Theoretical m/z 119.085524, Mass diff 0 (0.81 ppm), SMILES *C(*)=CC1=CC=C(C=C1)C, Annotation [C9H10+H]+, Rule of HR True"
+120.05718	23857	"Theoretical m/z 120.056963, Mass diff 0 (1.81 ppm), SMILES *C(=O)C1(*)CCC(*)C1(C)C, Annotation [C8H14O-6H]+, Rule of HR False"
+121.10126	40877	"Theoretical m/z 121.10118, Mass diff 0 (0.66 ppm), SMILES *C(*)(*)C1CCC(*)(C)C1(C)C, Annotation [C9H18-5H]+, Rule of HR True"
+122.07273	5077	"Theoretical m/z 122.072613, Mass diff 0 (0.96 ppm), SMILES *C(=O)C1(*)CCC(*)C1(C)C, Annotation [C8H14O-4H]+, Rule of HR False"
+126.04635	19433
+127.05426	30656	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06213	502466	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06993	198636	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07784	47603
+131.0856	40646	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+132.05708	37991	"Theoretical m/z 132.056962, Mass diff 0 (0.9 ppm), SMILES *C1=CC=C(C=C1)C=C(*)C(*)=O, Annotation [C9H8O]+, Rule of HR False"
+133.06486	50197	"Theoretical m/z 133.064787, Mass diff 0 (0.55 ppm), SMILES *C1=CC=C(C=C1)C=C(*)C(*)=O, Annotation [C9H8O+H]+, Rule of HR True"
+134.10901	8960	"Theoretical m/z 134.109005, Mass diff 0 (0.04 ppm), SMILES *C=C(*)C1CCC(*)(C)C1(C)C, Annotation [C10H18-4H]+, Rule of HR False"
+139.05428	29530	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06995	243143	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07779	102914
+143.0856	240917	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.08899	53147
+145.06488	74720	"Theoretical m/z 145.064792, Mass diff 0 (0.6 ppm), SMILES *C(=O)C(*)=CC1=CC=C(C=C1)C, Annotation [C10H10O-H]+, Rule of HR True"
+146.07269	18668	"Theoretical m/z 146.072617, Mass diff 0 (0.5 ppm), SMILES *C(=O)C(*)=CC1=CC=C(C=C1)C, Annotation [C10H10O]+, Rule of HR False"
+147.08049	30500	"Theoretical m/z 147.080442, Mass diff 0 (0.32 ppm), SMILES *C(=O)C(*)=CC1=CC=C(C=C1)C, Annotation [C10H10O+H]+, Rule of HR True"
+148.0883	71357
+149.04494	16092
+149.09615	120414	"Theoretical m/z 149.096088, Mass diff 0 (0.42 ppm), SMILES *C=C1C(=O)C2(*)CCC1C2(C)C, Annotation [C10H14O-H]+, Rule of HR True"
+150.09953	11086
+151.02422	10148
+152.06206	75947
+153.0699	115826	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07773	82011
+155.08554	474694	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.08894	98898
+157.06482	212754	"Theoretical m/z 157.06534, Mass diff 0 (0 ppm), Formula C11H9O"
+158.06822	26747
+159.0805	8626	"Theoretical m/z 159.08099, Mass diff 0 (0 ppm), Formula C11H11O"
+162.10411	13263
+164.062	5303
+165.06993	118712	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07779	45833	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.08554	68308	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+168.09334	86395
+169.0648	22206	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+169.10121	380428	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+170.10907	197125
+171.08046	178555	"Theoretical m/z 171.08099, Mass diff 0 (0 ppm), Formula C12H11O"
+172.0883	99010
+173.09174	10575
+178.0778	33904	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08548	42346	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.09348	19040
+181.10112	78620	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+182.1091	30888
+183.11685	283506	"Theoretical m/z 183.117375, Mass diff 0 (0 ppm), Formula C14H15"
+184.12019	76726
+185.1326	37217	"Theoretical m/z 185.133026, Mass diff 0 (0 ppm), Formula C14H17"
+189.06982	6271	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+191.08557	7847	"Theoretical m/z 191.086075, Mass diff 0 (0 ppm), Formula C15H11"
+192.09325	5846
+193.10118	21978	"Theoretical m/z 193.101725, Mass diff 0 (0 ppm), Formula C15H13"
+194.10936	8930
+195.11682	34130	"Theoretical m/z 195.116826, Mass diff 0 (0.03 ppm), SMILES *C(=CC1=CC=C(C=C1)C)C(*)C(C)(C)C(*)(*)C, Annotation [C15H22-7H]+, Rule of HR True"
+196.12472	63633
+197.09608	82573	"Theoretical m/z 197.09664, Mass diff 0 (0 ppm), Formula C14H13O"
+198.14032	69150
+199.14818	17324	"Theoretical m/z 199.148126, Mass diff 0 (0.27 ppm), SMILES *C(=CC1=CC=C(C=C1)C)C(*)C(C)(C)C(*)(*)C, Annotation [C15H22-3H]+, Rule of HR True"
+206.10913	15647
+207.03249	10277
+207.1022	6200
+209.13272	15858	"Theoretical m/z 209.132476, Mass diff 0 (1.17 ppm), SMILES *C(=CC1=CC=C(C=C1)C)C2CCC(*)(*)C2(C)C, Annotation [C16H22-5H]+, Rule of HR True"
+210.10408	7057
+211.06059	5893
+211.11182	74789	"Theoretical m/z 211.111749, Mass diff 0 (0.34 ppm), SMILES *C1C(=CC2=CC=C(C=C2)C)C(=O)C(*)(*)C1(C)C, Annotation [C15H18O-3H]+, Rule of HR True"
+211.14821	281095	"Theoretical m/z 211.148132, Mass diff 0 (0.37 ppm), SMILES CC1=C(C)C2=C([CH+]CCC=C(C)\C=C/2)C=C1, Annotation [C16H19]+, Rule of HR True"
+212.11972	86130
+213.12762	11781	"Theoretical m/z 213.127399, Mass diff 0 (1.04 ppm), SMILES *C1C(=CC2=CC=C(C=C2)C)C(=O)C(*)(*)C1(C)C, Annotation [C15H18O-H]+, Rule of HR True"
+221.13269	47438	"Theoretical m/z 221.133026, Mass diff 0 (0 ppm), Formula C17H17"
+222.13603	6735
+223.14825	30175	"Theoretical m/z 223.148676, Mass diff 0 (0 ppm), Formula C17H19"
+224.11958	5039
+225.043	13026
+225.12749	32823	"Theoretical m/z 225.127399, Mass diff 0 (0.4 ppm), SMILES *C1=CC=C(C=C1)C=C2C(=O)C3(*)CCC2C3(C)C, Annotation [C16H18O-H]+, Rule of HR True"
+226.17166	102893
+227.02219	7074
+227.17506	15899
+236.15613	10882
+239.14314	254460	"Theoretical m/z 239.143039, Mass diff 0 (0.42 ppm), SMILES *C12C(=O)C(=CC3=CC=C(C=C3)C)C(CC1)C2(C)C, Annotation [C17H20O-H]+, Rule of HR True"
+240.14645	47499
+253.15889	13939	"Theoretical m/z 253.158685, Mass diff 0 (0.81 ppm), SMILES *C(=CC1=CC=C(C=C1)C)C(=O)[C](C)CC[CH]C(*)(C)C, Annotation [C18H24O-3H]+, Rule of HR True"
+254.16666	369947	"Theoretical m/z 254.16652, Mass diff 0 (0.55 ppm), SMILES O=C1C(=CC2=CC=C(C=C2)C)C3CCC1(C)C3(C)C, Annotation [C18H22O]+, Rule of HR False"
+255.16995	72293
+
+NAME: 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2652.8
+PRECURSORMZ: 357.16022
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H24ClN3O
+INCHIKEY: UWSMKYBKUPAEJQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C1=CC(N2N=C3C=CC(Cl)=CC3=N2)=C(O)C(=C1)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 40
+76.01825	16597	"Theoretical m/z 76.018724, Mass diff 0 (0 ppm), Formula C5H2N"
+77.03862	17372	"Theoretical m/z 77.038575, Mass diff 0 (0.58 ppm), SMILES *C=1C=CC(*)(*)C(*)(*)C1, Annotation [C6H8-3H]+, Rule of HR True"
+79.0543	17890	"Theoretical m/z 79.054226, Mass diff 0 (0.94 ppm), SMILES *C=1C=CC(*)(*)C(*)(*)C1, Annotation [C6H8-H]+, Rule of HR True"
+90.03394	25865	"Theoretical m/z 90.033822, Mass diff 0 (1.31 ppm), SMILES *N=C1C=CC(*)=CC1(*)*, Annotation [C6H7N-3H]+, Rule of HR True"
+91.05431	60624	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+98.99956	13350	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+103.0543	27770	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06995	63689	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+115.05428	39840	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06215	16063	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.0699	22306	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.08559	15347	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+126.01059	26033	"Theoretical m/z 126.010502, Mass diff 0 (0.7 ppm), SMILES *N=C1C=CC(Cl)=CC1(*)*, Annotation [C6H6ClN-H]+, Rule of HR True"
+128.06212	21367	"Theoretical m/z 128.062044, Mass diff 0 (0.59 ppm), SMILES *C=1C=C(C=C(*)C1*)C(C)(C)C, Annotation [C10H14-6H]+, Rule of HR False"
+129.06993	22296	"Theoretical m/z 129.069869, Mass diff 0 (0.47 ppm), SMILES *C=1C=C(C=C(*)C1*)C(C)(C)C, Annotation [C10H14-5H]+, Rule of HR True"
+130.06517	15165	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+131.08569	22988	"Theoretical m/z 131.085519, Mass diff 0 (1.3 ppm), SMILES *C=1C=C(C=C(*)C1*)C(C)(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+133.0649	60858	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+144.53047	18455
+145.06482	14388	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+147.08044	15003	"Theoretical m/z 147.080438, Mass diff 0 (0.01 ppm), SMILES *C=1C=C(C=C(*)C1O)C(C)(C)C, Annotation [C10H14O-3H]+, Rule of HR True"
+149.54082	21034
+154.0166	16004	"Theoretical m/z 154.016645, Mass diff 0 (0.29 ppm), SMILES *N1N=C2C=CC(Cl)=CC2=N1, Annotation [C6H4ClN3+H]+, Rule of HR True"
+258.04285	30544	"Theoretical m/z 258.043415, Mass diff 0 (0 ppm), Formula C13H9ClN3O"
+260.04019	12594
+286.07428	192635	"Theoretical m/z 286.074176, Mass diff 0 (0.36 ppm), SMILES *C=1C=C(C=C(C1O)N2N=C3C=CC(Cl)=CC3=N2)C(*)(C)C, Annotation [C15H14ClN3O-H]+, Rule of HR True"
+287.07794	31549
+288.07138	62836
+300.06085	13024	"Theoretical m/z 300.058002, Mass diff -0.003 (0 ppm), Formula C20H11ClN"
+307.168	13054
+314.1055	38367	"Theoretical m/z 314.106015, Mass diff 0 (0 ppm), Formula C17H17ClN3O"
+316.10306	13733
+342.13669	1229530	"Theoretical m/z 342.136768, Mass diff 0 (0.23 ppm), SMILES *C(C=1C=C(C(O)=C(C1)C(C)(C)C)N2N=C3C=CC(Cl)=CC3=N2)(C)C, Annotation [C19H22ClN3O-H]+, Rule of HR True"
+343.14023	245419
+344.13367	393264
+345.13727	77896
+357.16022	196321	"Theoretical m/z 357.160249, Mass diff 0 (0.08 ppm), SMILES ClC=1C=CC2=NN(N=C2C1)C3=CC(=CC(=C3O)C(C)(C)C)C(C)(C)C, Annotation [C20H24ClN3O]+, Rule of HR False"
+358.16394	41554
+359.15714	62894
+360.16037	13107
+
+NAME: Octrizole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2571.9
+PRECURSORMZ: 323.19928
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H25N3O
+INCHIKEY: IYAZLDLPUNDVAG-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 16
+77.03863	18782	"Theoretical m/z 77.038578, Mass diff 0 (0.68 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04645	13174	"Theoretical m/z 78.046403, Mass diff 0 (0.61 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6]+, Rule of HR False"
+79.05428	27769	"Theoretical m/z 79.054228, Mass diff 0 (0.66 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6+H]+, Rule of HR True"
+91.05432	29870	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+103.05431	19258	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06998	75131	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+120.05559	15106	"Theoretical m/z 120.055624, Mass diff 0 (0.28 ppm), SMILES *N1N=C2C=CC=CC2=N1, Annotation [C6H5N3+H]+, Rule of HR True"
+133.06488	100462	"Theoretical m/z 133.064798, Mass diff 0 (0.62 ppm), SMILES *C1=CC(=CC=C1O)C(*)(C)C, Annotation [C9H12O-3H]+, Rule of HR True"
+167.05553	15075
+180.08072	11571	"Theoretical m/z 180.08078, Mass diff 0 (-0.33 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+224.08188	61851	"Theoretical m/z 224.082387, Mass diff 0 (0 ppm), Formula C13H10N3O"
+251.10548	17409
+252.11322	1118239	"Theoretical m/z 252.113132, Mass diff 0 (0.35 ppm), SMILES *C(C1=CC=C(O)C(=C1)N2N=C3C=CC=CC3=N2)(C)C, Annotation [C15H15N3O-H]+, Rule of HR True"
+253.11659	186776
+254.11986	13450
+323.19928	15937	"Theoretical m/z 323.199219, Mass diff 0 (0.19 ppm), SMILES OC1=CC=C(C=C1N2N=C3C=CC=CC3=N2)C(C)(C)CC(C)(C)C, Annotation [C20H25N3O]+, Rule of HR False"
+
+
+NAME: 1,2,7,9-Tetrachlorodibenzofuran
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2336.9
+PRECURSORMZ: 303.90103
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl4O
+INCHIKEY: PDMFRPIFZAKMLH-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC2=C(C3=C(O2)C=CC(Cl)=C3Cl)C(Cl)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 51
+71.98778	6354
+73.04684	6567
+85.0072	3732	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.06484	4142
+86.0151	8197	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+94.04139	4548
+96.98404	3548	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01514	5514
+109.00731	5181	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+110.01517	10468
+111.02292	4622	"Theoretical m/z 111.023475, Mass diff 0 (0 ppm), Formula C9H3"
+120.46843	15384
+120.98405	7733	"Theoretical m/z 120.984503, Mass diff 0 (0 ppm), Formula C7H2Cl"
+121.46689	14033
+122.46525	3680
+134.01515	8360
+135.02278	9110	"Theoretical m/z 135.023475, Mass diff 0 (0 ppm), Formula C11H3"
+136.03082	3552
+149.04483	4254
+151.02409	4221
+151.9502	9670
+152.94872	11888
+153.06978	4280
+153.94743	6322
+168.98372	5545	"Theoretical m/z 168.984503, Mass diff 0 (0 ppm), Formula C11H2Cl"
+170.99954	66643	"Theoretical m/z 171.000153, Mass diff 0 (0 ppm), Formula C11H4Cl"
+172.00293	7376
+172.9966	21538
+204.96072	15944	"Theoretical m/z 204.96118, Mass diff 0 (0 ppm), Formula C11H3Cl2"
+205.96837	22104
+206.95769	12364
+207.96562	14000
+225.04291	4937
+229.00153	5594
+233.96333	7487
+240.93722	99399	"Theoretical m/z 240.937858, Mass diff 0 (0 ppm), Formula C11H4Cl3"
+241.94058	9630
+242.93437	94620
+243.93771	11897
+244.93149	28975	"Theoretical m/z 244.932773, Mass diff 0.001 (0 ppm), Formula C10H4Cl3O"
+268.97846	5468
+269.94031	6425
+270.92926	4632
+271.93719	6699
+303.90103	260618	"Theoretical m/z 303.901093, Mass diff 0 (0.21 ppm), SMILES ClC=1C=C(Cl)C2=C(OC3=CC=C(Cl)C(Cl)=C32)C1, Annotation [C12H4Cl4O]+, Rule of HR False"
+304.90427	34421
+305.8981	334570
+306.90143	42077
+307.89508	156830
+308.89838	20926
+309.89236	33012
+
+NAME: 2,2',3,4,5,5',6-Heptachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2425.2
+PRECURSORMZ: 391.80484
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Cl7
+INCHIKEY: PYZHTHZEHQHHEN-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 111
+73.0468	20803
+74.01508	8349	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.0261	6456
+77.03856	6348
+78.9178	8668
+79.05423	6471
+80.91576	7084
+83.08552	6651
+85.00726	13657	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+89.98778	8828
+90.49174	8445
+91.05425	5979
+98.01511	16245
+107.97599	18060
+108.48001	22263
+108.97455	8441
+109.00734	24394	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+109.47858	6054
+109.97312	10266
+117.93704	8905
+119.93414	8180
+119.97614	9775
+121.00729	8239	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01498	19565
+125.46046	6226
+125.96446	65419
+126.96298	69545
+127.4647	12707
+127.96149	20839
+131.97606	12389
+132.98401	14981	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.97318	9984
+141.9371	13479
+142.94492	23957	"Theoretical m/z 142.944986, Mass diff 0 (0.46 ppm), SMILES *C=1C=C(*)C(Cl)=CC1Cl, Annotation [C6H4Cl2-3H]+, Rule of HR True"
+143.94344	51923
+143.97601	17709
+144.94188	18971
+146.01502	43687
+147.06561	18438
+149.0448	9154
+160.93324	77641
+161.93175	136228
+162.43349	19574
+162.93025	70496
+163.92877	28645
+165.9371	9878
+167.97618	6187
+178.41757	9843
+178.91219	16019
+179.41629	13981
+179.91077	10258
+179.9761	17189
+180.41475	7403
+180.98383	8678	"Theoretical m/z 180.984503, Mass diff 0 (0 ppm), Formula C12H2Cl"
+181.99159	47999
+182.99489	12459
+183.98874	20397
+195.90208	11277
+196.90062	26997
+197.89903	26065
+198.89761	15484
+204.96042	6498	"Theoretical m/z 204.96118, Mass diff 0 (0 ppm), Formula C11H3Cl2"
+209.01154	10182
+215.95276	26088
+216.96072	27709	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.94971	25120
+218.95767	19208
+225.91385	6540
+227.02205	8703
+227.91083	12860
+234.97096	12098
+251.92938	204565
+252.93257	7752
+253.92644	231729
+254.92966	24022
+255.92352	75780
+256.92679	5940
+257.92053	7713
+281.05112	6353
+285.8905	22202
+286.8985	44814	"Theoretical m/z 286.898886, Mass diff 0 (0 ppm), Formula C12H3Cl4"
+287.88754	7511
+288.89548	53191
+289.90372	24319
+290.89264	32911
+299.06155	6560
+321.86697	285142
+322.86963	16682
+323.86395	579819
+324.8671	53344
+325.86102	360307
+326.86414	19326
+327.85797	112298
+329.85501	12438
+356.83582	130115	"Theoretical m/z 356.836048, Mass diff 0 (0.64 ppm), SMILES *C1=CC(=C(Cl)C=C1Cl)C=2C(Cl)=C(Cl)C=C(Cl)C2Cl, Annotation [C12H4Cl6-H]+, Rule of HR True"
+358.83295	275554
+359.83771	21116
+360.82993	219693
+361.83466	25148
+362.827	59229
+363.83261	11157
+364.8241	21953
+391.80484	177578	"Theoretical m/z 391.804902, Mass diff 0 (0.16 ppm), SMILES ClC1=CC(Cl)=C(C=C1Cl)C=2C(Cl)=C(Cl)C=C(Cl)C2Cl, Annotation [C12H3Cl7]+, Rule of HR False"
+393.80176	427647
+395.7988	442617
+396.80209	29585
+397.79581	231105
+398.79929	11337
+399.79297	69810
+400.79651	9674
+401.78986	12786
+
+NAME: 2,4,6-Trichlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1796.7
+PRECURSORMZ: 255.96082
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H7Cl3
+INCHIKEY: IHIDFKLAWYPTKB-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C(=C1)Cl)C2=CC=C(C=C2)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 54
+74.01512	240983	"Theoretical m/z 74.015103, Mass diff 0 (0.24 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02299	532192	"Theoretical m/z 75.022928, Mass diff 0 (0.83 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-3H]+, Rule of HR True"
+85.00729	105208	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.0151	142091	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02296	83191	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.00349	158171
+93.01135	379941
+93.06997	180309
+94.0414	118311
+94.07775	93957
+95.08559	93738
+96.98406	104630	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01518	342912
+99.02296	214294	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+106.51048	93264
+108.98406	102754	"Theoretical m/z 108.983957, Mass diff 0 (0.95 ppm), SMILES *C1=CC=CC(Cl)=C1*, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99184	497696
+110.99033	374867
+122.01512	175750
+123.02292	213084	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+124.03085	89742
+125.03861	90553	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+146.9996	103798	"Theoretical m/z 147.000153, Mass diff 0 (0 ppm), Formula C9H4Cl"
+147.06561	109760
+149.03857	291605	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+150.04637	1766477
+151.05412	864407	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.05749	89527
+160.00737	118048
+169.06474	263277
+178.96474	89327
+179.06033	177086
+184.00746	145972
+185.01515	158052	"Theoretical m/z 185.015252, Mass diff 0 (0.55 ppm), SMILES *C=1C=CC(=CC1)C=2C(*)=CC=CC2Cl, Annotation [C12H9Cl-3H]+, Rule of HR True"
+186.02303	6019998
+187.02635	805398
+188.02004	1977181
+189.02336	254876
+203.02576	83349
+213.0213	120860
+219.98413	495442
+220.99202	785101	"Theoretical m/z 220.991932, Mass diff 0 (0.4 ppm), SMILES *C1=CC=CC(Cl)=C1C=2C=CC(Cl)=CC2, Annotation [C12H8Cl2-H]+, Rule of HR True"
+221.98114	413820
+222.98906	521690
+223.99228	107598
+224.98604	88073
+239.00105	101582
+255.96082	7689247	"Theoretical m/z 255.960786, Mass diff 0 (0.13 ppm), SMILES ClC=1C=CC(=CC1)C=2C(Cl)=CC=CC2Cl, Annotation [C12H7Cl3]+, Rule of HR False"
+256.9642	1088212
+257.95782	7290703
+258.96121	963191
+259.9549	2322418
+260.95825	291612
+261.95203	252452
+
+NAME: 2,2',3,3',4,5',6,6'-Octachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2473
+PRECURSORMZ: 425.76611
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H2Cl8
+INCHIKEY: HHXNVASVVVNNDG-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 189
+79.05426	27586
+80.06208	19331
+83.08553	27022
+83.97617	29864
+85.00732	30225	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10123	18890
+89.98786	69114
+90.49177	28120
+94.96837	19182	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+103.05421	22009
+107.47224	64716
+107.97614	107505
+108.47074	40743
+109.00726	70894	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+109.10123	68684
+109.97316	30321
+110.10456	21068
+119.9994	50497	"Theoretical m/z 120, Mass diff 0 (0 ppm), Formula C10"
+122.01518	26284
+124.95669	18175
+126.45906	53027
+131.97617	46700
+133.00742	21176	"Theoretical m/z 133.007825, Mass diff 0 (0 ppm), Formula C11H"
+133.97333	22666
+139.14807	18794
+141.06984	81948
+142.0777	76202
+142.44109	34112
+142.94501	163849	"Theoretical m/z 142.944986, Mass diff 0 (0.17 ppm), SMILES *C1=C(*)C(Cl)=CC=C1Cl, Annotation [C6H4Cl2-3H]+, Rule of HR True"
+143.08551	38967
+143.43953	51866
+143.94353	340929
+143.97614	72716
+144.44514	46383
+144.94211	144260
+145.00723	23088	"Theoretical m/z 145.007825, Mass diff 0 (0 ppm), Formula C12H"
+145.9406	28796
+146.015	76949
+152.06201	48449
+153.06979	136820
+154.07768	69625
+155.08545	297950
+155.97609	71136
+156.09331	114348
+157.97299	19890
+159.92555	45353
+160.92375	75938
+161.13242	69707
+161.92256	41453
+163.14806	73260
+165.06982	202704
+166.07768	42634
+167.08545	180807
+168.09332	101610
+169.10109	694668
+170.10445	142134
+171.11673	137438
+172.12012	37279
+175.14801	19825
+176.1559	41599
+177.16371	40634
+177.91374	268655
+178.4154	33808
+178.91226	133436
+179.08537	136058
+179.41383	55105
+179.9108	389281
+179.97592	55102
+180.09329	54353
+180.41243	54955
+180.9093	118996
+180.98384	56713	"Theoretical m/z 180.984503, Mass diff 0 (0 ppm), Formula C12H2Cl"
+181.10103	173318
+181.90784	46311
+181.97322	32086
+182.10889	26317
+183.11674	509802
+184.12009	112250
+185.13236	114292
+186.13968	44449
+190.07767	38556
+190.1676	838155
+191.08545	36612
+191.93405	26531
+192.09316	50704
+193.10114	94748
+194.10898	45548
+195.11673	140457
+196.12471	36203
+197.13242	189802
+198.14021	94421
+199.14803	309461
+200.15596	67829
+201.9135	18047
+202.07768	40823
+204.0936	23267
+204.18263	31164
+205.10114	38498
+206.10875	19955
+207.03236	17913
+207.11673	43039
+208.12474	18393
+209.13246	129910
+210.14047	54762
+211.14809	58460
+212.15631	77031
+212.88263	59616	"Theoretical m/z 212.882694, Mass diff 0 (0.3 ppm), SMILES *C=1C(*)=C(Cl)C(Cl)=C(Cl)C1Cl, Annotation [C6H2Cl4-H]+, Rule of HR True"
+213.16371	56287
+213.88113	124056
+214.87974	172048
+214.94499	34308	"Theoretical m/z 214.94553, Mass diff 0 (0 ppm), Formula C12HCl2"
+215.87808	71574
+215.9529	59279
+216.87677	68912
+216.9563	36497
+217.94988	58482
+219.11687	23550
+223.14807	57316
+225.16374	380851
+225.91385	40933
+226.16644	257027
+227.91077	28757
+237.16376	64700
+238.87959	33329
+239.17947	65950
+242.19777	29644
+246.23451	71985
+247.23737	18423
+249.91377	86295
+250.92181	121754	"Theoretical m/z 250.922208, Mass diff 0 (0 ppm), Formula C12H2Cl3"
+251.91103	49901
+253.19513	55496
+254.19795	42747
+254.91574	34386
+268.93234	20059
+269.22073	162034
+273.84891	33886
+279.21063	17843
+281.22656	199358
+285.89044	327277
+286.89383	91979
+287.88751	446306
+288.89069	98325
+289.88458	218972
+290.88803	46692
+291.88196	88833
+297.84799	24849
+307.24197	18507
+309.2576	426501
+310.26044	145286
+319.85141	36596
+320.8591	114896	"Theoretical m/z 320.859913, Mass diff 0 (0 ppm), Formula C12H2Cl5"
+321.8486	71800
+322.85638	22803
+323.86307	65387
+324.85339	105331
+326.85062	40742
+335.27301	18607
+337.289	201784
+349.28839	22541
+355.82809	488848
+356.83151	100301
+357.82507	883249
+358.8284	162227
+359.82217	650631
+360.82538	156822
+361.81924	183510
+362.82257	55454
+363.81616	99003
+365.3201	290424
+390.79776	88649	"Theoretical m/z 390.797077, Mass diff 0.001 (1.75 ppm), SMILES *C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C=2C(Cl)=CC=C(Cl)C2Cl, Annotation [C12H3Cl7-H]+, Rule of HR True"
+392.79419	133375
+393.80002	18889
+394.79114	104713
+395.79706	44485
+396.7883	92216
+398.78491	32389
+410.39124	19141
+425.76611	184224	"Theoretical m/z 425.765931, Mass diff 0 (0.42 ppm), SMILES ClC1=CC=C(Cl)C(=C1Cl)C=2C(Cl)=C(Cl)C(Cl)=C(Cl)C2Cl, Annotation [C12H2Cl8]+, Rule of HR False"
+426.76935	75381
+427.76276	1402259
+428.76608	195587
+429.75974	1711690
+430.763	57542
+431.75684	1092960
+432.76032	145693
+433.7536	243125
+434.75699	52471
+435.75064	35264
+
+NAME: Mirex
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2586.7
+PRECURSORMZ: 512.64551
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10Cl12
+INCHIKEY: GVYLCNUFSHDAAW-UHFFFAOYSA-N
+INCHI: 
+SMILES: C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 86
+94.96834	231901
+95.96679	126761
+105.93711	88933
+112.45268	97699
+113.45122	98670
+116.90597	399267
+117.93709	138020
+118.90304	580398
+118.9683	136787
+119.93417	90483
+119.99946	233471
+120.90007	142332
+129.93716	356842
+130.93568	199256
+131.93417	280617
+140.90594	594941
+141.93713	197128
+142.903	667466
+143.93416	130109
+144.90006	189489
+148.42004	95552
+153.93707	143383
+154.90294	69390
+155.93411	101282
+164.90588	445254
+165.90451	473129
+166.90294	536820
+167.93407	228847
+168.89995	111627
+189.937	273924
+190.90289	100238
+191.93407	207119
+200.88251	362528
+201.87181	178565
+202.87959	338494
+204.87663	103317
+224.90591	108962
+226.90298	92047
+234.84367	2962400
+235.84578	277015
+236.84068	4542710
+237.84392	421664
+238.83771	3008444
+239.83984	258351
+240.83473	892376
+241.83685	72354
+242.8318	147848
+259.87488	300924
+260.84091	91831
+261.87189	402656
+262.83816	73682
+263.86905	199623
+269.81265	3570182
+270.81592	217905
+271.80963	6830630
+272.81296	429664
+273.80661	5130262
+274.80994	336036
+275.80356	2275102
+276.80682	131951
+277.80063	467431
+282.8436	93393
+284.84073	154617
+286.83789	109277
+297.8486	86899
+305.81241	95847
+307.80951	189381
+309.80652	126769
+329.81238	420944
+331.80939	882280
+332.81229	84265
+333.80643	707434
+335.8035	295819
+337.80054	70572
+352.78116	122592
+354.77832	285214
+356.77527	218370
+358.77249	131841
+366.77832	115510
+367.78613	103137
+368.77554	118290
+369.78293	97713
+399.75009	121119
+401.74728	326085
+403.74429	358929
+405.7413	227519
+
+
+NAME: beta-Hexachlorocyclohexane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1775.6
+PRECURSORMZ: 271.0274
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6H6Cl6
+INCHIKEY: JLYXXMFPNIAWKQ-CDRYSYESSA-N
+INCHI: 
+SMILES: Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 69
+72.98396	384169	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01509	267435	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02296	588821	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03858	395642	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04642	95462	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+82.94498	989318	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+83.9761	96051
+84.98396	1295101	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.97314	88069
+86.98103	359906
+86.99962	832796	"Theoretical m/z 87.000153, Mass diff 0 (0 ppm), Formula C4H4Cl"
+88.99665	169236
+95.9528	306359
+97.94987	198817
+98.9996	303620	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+100.99669	93585
+108.96066	2580232	"Theoretical m/z 108.960634, Mass diff 0 (0.24 ppm), SMILES *C(*)C(Cl)C(*)Cl, Annotation [C3H6Cl2-3H]+, Rule of HR True"
+109.96398	100678
+110.95768	2025179
+110.99955	261929	"Theoretical m/z 111.000153, Mass diff 0 (0 ppm), Formula C6H4Cl"
+112.00742	248136
+112.9547	428432
+112.99661	137486
+120.96062	684336	"Theoretical m/z 120.96118, Mass diff 0 (0 ppm), Formula C4H3Cl2"
+121.96844	259760
+122.95764	421029
+123.96552	163100
+126.99449	126847
+128.00233	110454
+129.0101	226107
+132.96062	381347	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+133.96843	107178
+134.95766	307984
+136.97328	85105
+139.00572	349256
+141.00276	117920
+142.92163	294579	"Theoretical m/z 142.921655, Mass diff 0 (0.18 ppm), SMILES *C(Cl)C(Cl)C(*)Cl, Annotation [C3H5Cl3-3H]+, Rule of HR True"
+144.91866	404889
+145.96838	1290939
+146.9157	151827
+146.9762	855403	"Theoretical m/z 146.976831, Mass diff 0 (0 ppm), Formula C6H5Cl2"
+147.96541	823903
+148.97325	489367
+149.96242	142266
+155.92937	224069
+156.93721	137466	"Theoretical m/z 156.937311, Mass diff 0 (0.64 ppm), SMILES *C(*)C(Cl)C(Cl)C(*)Cl, Annotation [C4H7Cl3-3H]+, Rule of HR True"
+157.92648	228874
+158.9343	82047
+162.97112	98488
+168.93727	125504	"Theoretical m/z 168.937858, Mass diff 0 (0 ppm), Formula C5H4Cl3"
+170.93431	86533
+172.96669	930803
+174.96376	551988
+176.96089	93954
+179.92955	86736
+180.93718	8005130	"Theoretical m/z 180.937858, Mass diff 0 (0 ppm), Formula C6H4Cl3"
+181.94054	631383
+182.93419	7765628
+183.93758	506364
+184.93121	2517101
+185.93463	164683
+186.92825	261587
+216.91392	3001600	"Theoretical m/z 216.913995, Mass diff 0 (0.35 ppm), SMILES *C1C(*)C(Cl)C(Cl)C(Cl)C1Cl, Annotation [C6H8Cl4-3H]+, Rule of HR True"
+217.91725	269600
+218.91092	3878263
+219.91429	286021
+220.90796	1933846
+221.91126	132336
+222.90498	416786
+
+NAME: alpha-1,2,3,4,5,6-Hexachlorocyclohexane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1732.4
+PRECURSORMZ: 281.05096
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6H6Cl6
+INCHIKEY: JLYXXMFPNIAWKQ-SHFUYGGZSA-N
+INCHI: 
+SMILES: Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 62
+72.98394	420973	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01508	344355	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02293	843391	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03855	535540	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.0464	134448	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+82.94496	1033768	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+84.98394	1498352	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+86.981	417274
+86.9996	897496	"Theoretical m/z 87.000153, Mass diff 0 (0 ppm), Formula C4H4Cl"
+88.99664	136765
+91.05422	141238
+93.0335	138418
+95.95278	331149
+97.94984	194848
+98.99959	284293	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+108.96063	2122936	"Theoretical m/z 108.960634, Mass diff 0 (0.03 ppm), SMILES *C(*)C(Cl)C(*)Cl, Annotation [C3H6Cl2-3H]+, Rule of HR True"
+110.95766	1887936
+110.99952	418339	"Theoretical m/z 111.000153, Mass diff 0 (0 ppm), Formula C6H4Cl"
+112.0074	320416
+112.95468	384484
+120.96058	866780	"Theoretical m/z 120.96118, Mass diff 0 (0 ppm), Formula C4H3Cl2"
+121.96836	235192
+122.95761	529711
+126.99446	199962
+128.00227	215272
+129.0101	309819
+132.96059	347078	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+133.96838	129866
+134.95761	296741
+139.00569	506250
+141.00273	159056
+142.9216	246338	"Theoretical m/z 142.921655, Mass diff 0 (0.38 ppm), SMILES *C(Cl)C(Cl)C(*)Cl, Annotation [C3H5Cl3-3H]+, Rule of HR True"
+144.91866	470445
+145.96834	1843600
+146.95738	229861
+146.97614	965175	"Theoretical m/z 146.976831, Mass diff 0 (0 ppm), Formula C6H5Cl2"
+147.96538	1286384
+148.97322	400014
+149.96245	225706
+155.92934	537858
+157.92641	531812
+159.92339	157520
+162.97104	179670
+172.96664	1385287
+174.9637	858189
+176.96086	131355
+179.92934	137941
+180.93713	12834147	"Theoretical m/z 180.937858, Mass diff 0 (0 ppm), Formula C6H4Cl3"
+181.94046	970679
+182.93413	12281422
+183.93747	776387
+184.93117	3885810
+185.93452	272499
+186.92819	359296
+215.90608	134866
+216.91385	3267066	"Theoretical m/z 216.913995, Mass diff 0 (0.67 ppm), SMILES *C1C(*)C(Cl)C(Cl)C(Cl)C1Cl, Annotation [C6H8Cl4-3H]+, Rule of HR True"
+217.90314	424734
+218.91086	4126228
+219.91422	304314
+220.9079	2064129
+221.91126	140613
+222.90491	459059
+
+NAME: Lindane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1798
+PRECURSORMZ: 281.05078
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6H6Cl6
+INCHIKEY: JLYXXMFPNIAWKQ-GNIYUCBRSA-N
+INCHI: 
+SMILES: Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 67
+72.98392	346306	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01507	283863	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02291	827252	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03854	521830	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04638	120533	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+82.94495	880903	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+84.98393	1283124	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+86.981	343059
+86.9996	769428	"Theoretical m/z 87.000153, Mass diff 0 (0 ppm), Formula C4H4Cl"
+88.99662	143638
+93.03351	162118
+95.04912	101671
+95.95278	318129
+97.94984	188959
+98.99956	272628	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+108.96062	2063400	"Theoretical m/z 108.960634, Mass diff 0 (0.12 ppm), SMILES *C(*)C(Cl)C(*)Cl, Annotation [C3H6Cl2-3H]+, Rule of HR True"
+108.98389	202040	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+110.95764	1817828
+110.99954	428181	"Theoretical m/z 111.000153, Mass diff 0 (0 ppm), Formula C6H4Cl"
+112.00736	345511
+112.95464	433826
+112.99654	200756
+120.96057	767340	"Theoretical m/z 120.96118, Mass diff 0 (0 ppm), Formula C4H3Cl2"
+121.96833	230116
+122.9576	476719
+123.96544	138736
+126.99448	167405
+128.00226	153590
+129.01007	358017
+132.96057	325862	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+133.96841	103966
+134.95764	253360
+139.00568	578669
+141.0027	190310
+142.92157	253005	"Theoretical m/z 142.921655, Mass diff 0 (0.59 ppm), SMILES *C(Cl)C(Cl)C(*)Cl, Annotation [C3H5Cl3-3H]+, Rule of HR True"
+144.91862	383260
+144.96039	150685	"Theoretical m/z 144.96118, Mass diff 0 (0 ppm), Formula C6H3Cl2"
+145.96832	1566089
+146.95738	176457
+146.97615	1077879	"Theoretical m/z 146.976831, Mass diff 0 (0 ppm), Formula C6H5Cl2"
+147.96536	1044378
+148.97318	611728
+149.96242	189060
+155.92929	436670
+156.93715	136258	"Theoretical m/z 156.937311, Mass diff 0 (1.02 ppm), SMILES *C(*)C(Cl)C(Cl)C(*)Cl, Annotation [C4H7Cl3-3H]+, Rule of HR True"
+157.92636	445280
+158.9342	106663
+159.9234	123390
+162.97105	132617
+172.96664	1083530
+174.9637	670213
+179.92938	105015
+180.93712	10068607	"Theoretical m/z 180.937858, Mass diff 0 (0 ppm), Formula C6H4Cl3"
+181.94046	798400
+182.93411	9692896
+183.93745	680038
+184.93114	3163616
+185.93451	205882
+186.92819	316104
+215.90605	329321
+216.91383	2616866	"Theoretical m/z 216.913995, Mass diff 0 (0.76 ppm), SMILES *C1C(*)C(Cl)C(Cl)C(Cl)C1Cl, Annotation [C6H8Cl4-3H]+, Rule of HR True"
+217.90306	588985
+218.91086	3429776
+219.91414	418581
+220.9079	1628241
+221.91106	141636
+222.90492	363600
+
+NAME: delta-Hexachlorocyclohexane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1842.6
+PRECURSORMZ: 281.05093
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6H6Cl6
+INCHIKEY: JLYXXMFPNIAWKQ-GPIVLXJGSA-N
+INCHI: 
+SMILES: Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 64
+72.98393	278143	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01506	214194	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02293	518013	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03854	288799	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+82.94495	712050	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+83.9761	81808
+84.98393	1053785	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+86.98099	275758
+86.9996	633753	"Theoretical m/z 87.000153, Mass diff 0 (0 ppm), Formula C4H4Cl"
+88.9966	125559
+95.95277	237072
+97.94983	124336
+98.99955	187424	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+108.96062	1616225	"Theoretical m/z 108.960634, Mass diff 0 (0.12 ppm), SMILES *C(*)C(Cl)C(*)Cl, Annotation [C3H6Cl2-3H]+, Rule of HR True"
+110.95763	1228166
+110.99952	191925	"Theoretical m/z 111.000153, Mass diff 0 (0 ppm), Formula C6H4Cl"
+112.00737	242137
+112.95466	285821
+112.99653	120468
+120.96056	649714	"Theoretical m/z 120.96118, Mass diff 0 (0 ppm), Formula C4H3Cl2"
+121.96838	177990
+122.95759	395447
+123.96545	109075
+126.9945	130020
+128.00226	120090
+129.01009	229560
+131.08551	86136
+132.09331	286660
+132.96057	241360	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+134.9576	175381
+139.00566	284244
+141.0027	97317
+142.92157	225892	"Theoretical m/z 142.921655, Mass diff 0 (0.59 ppm), SMILES *C(Cl)C(Cl)C(*)Cl, Annotation [C3H5Cl3-3H]+, Rule of HR True"
+144.91859	316056
+145.96832	1107286
+146.95737	134826
+146.9761	690179	"Theoretical m/z 146.976831, Mass diff 0 (0 ppm), Formula C6H5Cl2"
+147.96533	788565
+148.97316	351841
+149.04472	106503
+149.96242	145401
+155.92929	310095
+156.93709	89162	"Theoretical m/z 156.937311, Mass diff 0 (1.41 ppm), SMILES *C(*)C(Cl)C(Cl)C(*)Cl, Annotation [C4H7Cl3-3H]+, Rule of HR True"
+157.92638	310487
+159.92337	99730
+162.97104	103588
+172.96663	731409
+174.96368	513795
+179.92935	90047
+180.93712	7675515	"Theoretical m/z 180.937858, Mass diff 0 (0 ppm), Formula C6H4Cl3"
+181.94044	604221
+182.93413	7615834
+183.93747	530051
+184.93115	2379905
+185.93456	150188
+186.92816	261535
+215.90605	242267
+216.91385	2368914	"Theoretical m/z 216.913995, Mass diff 0 (0.67 ppm), SMILES *C1C(*)C(Cl)C(Cl)C(Cl)C1Cl, Annotation [C6H8Cl4-3H]+, Rule of HR True"
+217.90308	446416
+218.91084	2981816
+219.91418	321257
+220.9079	1422470
+221.91119	116297
+222.90492	315058
+
+NAME: epsilon-Hexachlorocyclohexane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1865.9
+PRECURSORMZ: 281.05087
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6H6Cl6
+INCHIKEY: JLYXXMFPNIAWKQ-DCLYFUHFSA-N
+INCHI: 
+SMILES: Cl[C@H]1[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 66
+72.98395	291741	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01508	267745	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02293	645762	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03857	407601	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+81.06989	152702
+82.94497	673940	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+84.98395	1035156	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+86.98101	283576
+86.99962	618649	"Theoretical m/z 87.000153, Mass diff 0 (0 ppm), Formula C4H4Cl"
+88.99663	125194
+91.05424	106450
+93.06989	158446
+95.08552	100721
+95.9528	233464
+97.94984	143632
+98.99961	194295	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+105.06988	296837
+108.96065	1429628	"Theoretical m/z 108.960634, Mass diff 0 (0.15 ppm), SMILES *C(*)C(Cl)C(*)Cl, Annotation [C3H6Cl2-3H]+, Rule of HR True"
+110.95767	1247905
+110.99956	295071	"Theoretical m/z 111.000153, Mass diff 0 (0 ppm), Formula C6H4Cl"
+112.00739	221602
+112.95469	275146
+112.99657	128338
+120.96059	716472	"Theoretical m/z 120.96118, Mass diff 0 (0 ppm), Formula C4H3Cl2"
+121.96841	174392
+122.95764	459008
+123.96548	95208
+126.99451	163314
+128.00226	160616
+129.0101	267281
+132.9606	235371	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+134.95764	169142
+139.00571	368698
+141.00276	121188
+142.92163	271205	"Theoretical m/z 142.921655, Mass diff 0 (0.18 ppm), SMILES *C(Cl)C(Cl)C(*)Cl, Annotation [C3H5Cl3-3H]+, Rule of HR True"
+144.91867	401776
+144.96043	140369	"Theoretical m/z 144.96118, Mass diff 0 (0 ppm), Formula C6H3Cl2"
+145.96837	1567280
+146.95738	171615
+146.97615	700540	"Theoretical m/z 146.976831, Mass diff 0 (0 ppm), Formula C6H5Cl2"
+147.96539	1041368
+148.97316	376093
+149.96248	177884
+155.92934	407584
+157.92642	407006
+159.92348	130633
+162.97107	132921
+172.96669	1120919
+174.96374	678249
+176.96088	94831
+179.92947	145486
+180.93716	8989883	"Theoretical m/z 180.937858, Mass diff 0 (0 ppm), Formula C6H4Cl3"
+181.94051	719388
+182.93417	8633910
+183.9375	609149
+184.9312	2783688
+185.93459	191050
+186.92824	299606
+215.9061	371951
+216.9139	1742588	"Theoretical m/z 216.913995, Mass diff 0 (0.44 ppm), SMILES *C1C(*)C(Cl)C(Cl)C(Cl)C1Cl, Annotation [C6H8Cl4-3H]+, Rule of HR True"
+217.90309	565640
+218.91093	2216978
+219.90021	362516
+220.90796	1072220
+221.91115	116501
+222.90498	216193
+
+NAME: Pentachlorobenzene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1554.6
+PRECURSORMZ: 247.85138
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6HCl5
+INCHIKEY: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC(Cl)=C(Cl)C(Cl)=C1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 52
+73.00726	304979	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.04676	364776
+83.9761	512048
+88.9566	338761
+89.95515	291683
+94.96823	264956	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.97608	393485
+105.9371	341048
+106.93564	482397
+107.97605	3027434
+108.97946	331676
+109.97312	1002613
+117.93704	980587
+119.9341	638600
+123.92545	374543
+124.92394	502738
+125.92247	345898
+130.94487	272813	"Theoretical m/z 130.94553, Mass diff 0 (0 ppm), Formula C5HCl2"
+141.93704	1531404
+142.94487	2193958	"Theoretical m/z 142.94553, Mass diff 0 (0 ppm), Formula C6HCl2"
+143.93408	1129393
+144.94188	1369258
+158.93973	314515
+166.92145	483781	"Theoretical m/z 166.922208, Mass diff 0 (0 ppm), Formula C5H2Cl3"
+168.91855	400213
+176.90579	1314124	"Theoretical m/z 176.906015, Mass diff 0 (1.27 ppm), SMILES *C=1C=C(*)C(Cl)=C(Cl)C1Cl, Annotation [C6H3Cl3-3H]+, Rule of HR True"
+177.91357	1846280
+178.9028	1333999
+179.9106	1770860
+180.89984	516547
+181.90764	582234
+195.92409	324503
+197.92116	242608
+212.88248	2178814	"Theoretical m/z 212.882694, Mass diff 0 (1 ppm), SMILES *C=1C=C(Cl)C(Cl)=C(Cl)C1Cl, Annotation [C6H2Cl4-H]+, Rule of HR True"
+213.87181	480949
+214.87953	2892730
+215.88255	382112
+216.87657	1383853
+218.87372	314371
+240.88866	2019893
+242.88576	2530689
+244.88281	1256784
+246.8799	262926
+247.85138	14920448	"Theoretical m/z 247.851548, Mass diff 0 (0.68 ppm), SMILES ClC=1C=C(Cl)C(Cl)=C(Cl)C1Cl, Annotation [C6HCl5]+, Rule of HR False"
+248.85472	985790
+249.84834	23894644
+250.8517	1550090
+251.84531	15203124
+252.84865	896086
+253.84238	4936534
+254.84575	305542
+255.83942	769271
+
+NAME: Hexachlorobenzene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1744.5
+PRECURSORMZ: 281.81253
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6Cl6
+INCHIKEY: CKAPSXZOOQJIBF-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 50
+70.96829	270855	"Theoretical m/z 70.968853, Mass diff 0 (0 ppm), Formula C3Cl"
+71.08552	382184
+75.02605	1021127
+87.04404	610367
+88.45273	156594
+89.03851	155843
+94.96831	460754	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+96.98398	331128
+105.93717	655143
+106.93568	804273
+107.93418	431393
+117.9371	752050
+119.93417	461349
+129.9371	239527
+131.93419	184843
+140.90594	464817	"Theoretical m/z 140.906558, Mass diff 0 (0 ppm), Formula C3Cl3"
+141.9371	3602775
+142.90298	778037
+143.93411	2203985
+144.93742	252052
+145.93115	332172
+164.90585	200069	"Theoretical m/z 164.906558, Mass diff 0 (0 ppm), Formula C5Cl3"
+166.90286	191535
+176.90585	1560908	"Theoretical m/z 176.906558, Mass diff 0 (0 ppm), Formula C6Cl3"
+178.90289	1562723
+180.89992	497093
+197.13231	210614
+211.87474	2434128
+213.87176	3006915
+214.87502	194827
+215.86882	1516281
+217.86581	327010
+246.84361	2669540	"Theoretical m/z 246.843723, Mass diff 0 (0.46 ppm), SMILES *C=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1Cl, Annotation [C6HCl5-H]+, Rule of HR True"
+248.84064	4360202
+249.84308	271439
+250.83769	2734454
+252.8347	890719
+274.84982	224693
+276.84674	342538
+278.84402	236546
+281.81253	7820156	"Theoretical m/z 281.812562, Mass diff 0 (0.11 ppm), SMILES ClC=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1Cl, Annotation [C6Cl6]+, Rule of HR False"
+282.81589	506675
+283.80948	15203980
+284.81287	989666
+285.80646	12114351
+286.80984	798560
+287.8035	5219412
+288.80692	310973
+289.80057	1266524
+291.79761	166467
+
+NAME: 2,4'-Dichlorodiphenyldichloroethylene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2107.7
+PRECURSORMZ: 315.93729
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H8Cl4
+INCHIKEY: ZDYJWDIWLRZXDB-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 53
+74.01511	394944	"Theoretical m/z 74.015103, Mass diff 0 (0.1 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02295	444058	"Theoretical m/z 75.022928, Mass diff 0 (0.3 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-3H]+, Rule of HR True"
+86.01511	178602	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02296	949146	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03078	337780	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+98.01513	347713
+99.02296	498410	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+105.01131	1108692
+105.51301	175727
+106.00983	330483
+109.99178	325102
+110.99029	245844
+121.99178	507204
+122.99959	636034	"Theoretical m/z 122.999605, Mass diff 0 (0.12 ppm), SMILES *C(*)(*)C=1C=CC=CC1Cl, Annotation [C7H7Cl-3H]+, Rule of HR True"
+123.99815	218896
+125.03858	171452	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+137.03854	208042	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+139.98009	224579
+140.97861	232773
+149.03854	338464	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+150.04634	514923
+163.05415	312895	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+169.96837	260238
+171.96541	191752
+174.04633	1201023
+175.05405	981373	"Theoretical m/z 175.054775, Mass diff 0 (0 ppm), Formula C14H7"
+176.0619	4273755	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+177.06526	617277
+193.06473	292976
+199.03076	178828	"Theoretical m/z 199.030908, Mass diff 0 (0.74 ppm), SMILES *C1=CC=C(C=C1)C(*)(*)C=2C=CC=CC2Cl, Annotation [C13H11Cl-3H]+, Rule of HR True"
+210.02303	1979445
+211.0309	597332	"Theoretical m/z 211.031453, Mass diff 0 (0 ppm), Formula C14H8Cl"
+212.02004	633392
+213.02798	194279
+244.99204	292362	"Theoretical m/z 244.991937, Mass diff 0 (0.42 ppm), SMILES *C(*)=C(C1=CC=C(Cl)C=C1)C=2C=CC=CC2Cl, Annotation [C14H10Cl2-3H]+, Rule of HR True"
+245.99974	16682564
+247.00301	2590782
+247.99667	10858925
+248.99998	1604505
+249.99373	1826956
+250.99702	254898
+279.96072	392015
+280.96878	833549	"Theoretical m/z 280.968616, Mass diff 0 (0.58 ppm), SMILES *C(Cl)=C(C1=CC=C(Cl)C=C1)C=2C=CC=CC2Cl, Annotation [C14H9Cl3-H]+, Rule of HR True"
+281.95779	408405
+282.96579	791907
+284.96292	237202
+315.93729	2722342	"Theoretical m/z 315.93747, Mass diff 0 (0.57 ppm), SMILES ClC(Cl)=C(C1=CC=C(Cl)C=C1)C=2C=CC=CC2Cl, Annotation [C14H8Cl4]+, Rule of HR False"
+316.94058	387267
+317.9343	3443356
+318.93765	500840
+319.9313	1639326
+320.93466	240583
+321.92834	344672
+
+NAME: 2,4'-Dichlorodiphenyldichloroethane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2185.6
+PRECURSORMZ: 301.05832
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H10Cl4
+INCHIKEY: JWBOIMRXGHLCPP-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 45
+73.04679	131354
+74.01508	294517	"Theoretical m/z 74.015103, Mass diff 0 (0.3 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02293	644146	"Theoretical m/z 75.022928, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-3H]+, Rule of HR True"
+81.52684	168585
+87.02294	253354	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03076	502348	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+96.03378	185607
+98.01511	114628
+99.02293	163054	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+102.0464	235660	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+136.00738	306702
+137.01518	190389	"Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl"
+138.00444	170033
+139.05411	210713	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+149.04478	232713
+151.05408	141817	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06187	171356
+163.05412	752376	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06189	715588
+165.06973	6513828	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.0731	892465
+174.04626	200568
+176.0619	1447570	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+177.06973	574752	"Theoretical m/z 177.070425, Mass diff 0 (0 ppm), Formula C14H9"
+178.07753	817903	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08101	167836
+199.03073	3164483	"Theoretical m/z 199.030908, Mass diff 0 (0.89 ppm), SMILES *C1=CC=C(C=C1)C(*)C=2C=CC=CC2Cl, Annotation [C13H11Cl-3H]+, Rule of HR True"
+200.0386	2224420
+201.02777	1337845	"Theoretical m/z 201.023781, Mass diff -0.005 (0 ppm), Formula C10H11Cl2"
+202.03563	809119
+203.039	130910
+212.03862	1373955
+213.04192	258939
+214.03564	441187
+225.04282	242563
+227.03664	199273
+235.00748	11147123	"Theoretical m/z 235.007587, Mass diff 0 (0.46 ppm), SMILES *C(C1=CC=C(Cl)C=C1)C=2C=CC=CC2Cl, Annotation [C13H10Cl2-H]+, Rule of HR True"
+236.01079	1229978
+237.00444	7034778
+238.00777	782476
+239.00148	1067891
+239.09473	170807
+245.99968	129434
+247.99655	148575
+299.06155	178785
+
+NAME: 2,4'-Dichlorodiphenyltrichloroethane 
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2336.2
+PRECURSORMZ: 321.92813
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H9Cl5
+INCHIKEY: CVUGPAFCQJIYDT-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 66
+74.01512	136353	"Theoretical m/z 74.015103, Mass diff 0 (0.24 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02296	246773	"Theoretical m/z 75.022928, Mass diff 0 (0.43 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-3H]+, Rule of HR True"
+81.52686	99307
+87.02296	170598	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03078	237326	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+95.08556	54098
+96.03386	84142
+98.01511	73628
+99.02293	133347	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+105.01132	139916
+106.00983	68583
+122.99962	112294	"Theoretical m/z 122.999605, Mass diff 0 (0.13 ppm), SMILES *C(*)C=1C=CC=CC1Cl, Annotation [C7H7Cl-3H]+, Rule of HR True"
+136.00743	264563
+137.03857	91407	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+138.00446	122629
+139.0542	70798	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+149.0448	101467
+150.04646	108714
+151.05409	63349	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+162.04633	55993
+163.05417	408080	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06194	426916
+165.06979	2990469	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07317	423620
+169.96838	74595
+170.97615	83307	"Theoretical m/z 170.976831, Mass diff 0 (0 ppm), Formula C8H5Cl2"
+171.96542	60952
+172.97319	85674
+174.04628	144912
+175.05412	119578	"Theoretical m/z 175.054775, Mass diff 0 (0 ppm), Formula C14H7"
+176.06195	806894	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+177.06525	219859
+178.07756	124331
+193.0648	55929
+199.03081	961054	"Theoretical m/z 199.030908, Mass diff 0 (0.49 ppm), SMILES *C1=CC=C(C=C1)C(*)C=2C=CC=CC2Cl, Annotation [C13H11Cl-3H]+, Rule of HR True"
+200.03867	842271
+201.02788	433569
+202.03577	280363
+203.0389	58632
+210.02304	143105
+211.03131	74063	"Theoretical m/z 211.031453, Mass diff 0 (0 ppm), Formula C14H8Cl"
+211.06042	88326
+212.0387	982343
+213.04192	164529
+214.03571	299552
+232.992	56981	"Theoretical m/z 232.992481, Mass diff 0 (0 ppm), Formula C13H7Cl2"
+235.00755	5386767	"Theoretical m/z 235.007587, Mass diff 0 (0.16 ppm), SMILES *C(C1=CC=C(Cl)C=C1)C=2C=CC=CC2Cl, Annotation [C13H10Cl2-H]+, Rule of HR True"
+236.01086	745878
+237.00452	3435183
+238.00786	476798
+239.00159	583055
+240.00508	74517
+245.9997	865812
+247.00273	174524
+247.99672	583312
+248.99971	114885
+249.99384	103538
+280.96875	119520	"Theoretical m/z 280.968622, Mass diff 0 (0.46 ppm), SMILES *C(*)(Cl)C(C1=CC=C(Cl)C=C1)C=2C=CC=CC2Cl, Annotation [C14H11Cl3-3H]+, Rule of HR True"
+281.97662	202429
+282.96576	137895
+283.97366	175790
+284.9628	60788
+285.97092	53943
+315.93722	135226
+317.93433	160217
+319.9313	74795
+
+
+NAME: 1,2,7,9-Tetrachlorodibenzo-p-dioxin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2339.3
+PRECURSORMZ: 319.89587
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl4O2
+INCHIKEY: QIKHBBZEUNSCAF-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC2=C(OC3=C(Cl)C(Cl)=CC=C3O2)C(Cl)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 66
+70.07767	2036
+77.03859	6958	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+82.07768	3058
+83.97614	6197
+84.98395	11067	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+92.06209	4710
+96.98401	13512	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.98249	7298
+99.0227	4665	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+104.06208	6710
+105.06992	5648
+106.07769	2621
+109.10122	2898
+112.97882	2565	"Theoretical m/z 112.979417, Mass diff 0 (0 ppm), Formula C5H2ClO"
+114.97585	3986
+115.05426	5949
+121.0647	23604
+124.03071	3694
+131.08556	4713
+146.07253	2568
+150.04442	6189
+157.10101	2073
+157.99173	5469
+159.94757	9133
+160.94627	7867
+166.07744	4011
+167.05536	4300
+169.03456	3674
+173.13238	2633
+184.08829	6706
+192.98012	2529
+193.96837	54233
+194.9959	2409
+195.96542	39275
+196.97511	4054
+197.13187	2283
+207.03224	3611
+207.10199	3165
+208.03175	2517
+220.95566	2357	"Theoretical m/z 220.956095, Mass diff 0 (0 ppm), Formula C11H3Cl2O"
+225.04289	13755
+227.92934	4071
+228.93707	5130	"Theoretical m/z 228.937858, Mass diff 0 (0 ppm), Formula C10H4Cl3"
+230.93425	12714
+230.9808	2425
+239.17924	2598
+256.93222	52443	"Theoretical m/z 256.932773, Mass diff 0 (0 ppm), Formula C11H4Cl3O"
+257.93555	8501
+258.92932	44747
+260.9263	32075	"Theoretical m/z 260.927687, Mass diff 0.001 (0 ppm), Formula C10H4Cl3O2"
+262.92346	2084
+268.97861	2141
+282.05096	2501
+283.03036	2806
+284.92712	22368	"Theoretical m/z 284.927143, Mass diff 0 (0.08 ppm), SMILES *C=1C(Cl)=CC=C2OC=3C=C(Cl)C=C(Cl)C3OC12, Annotation [C12H5Cl3O2-H]+, Rule of HR True"
+286.92426	21218
+288.92075	6964
+319.89587	68609	"Theoretical m/z 319.895997, Mass diff 0 (0.4 ppm), SMILES ClC=1C=C(Cl)C=2OC3=C(Cl)C(Cl)=CC=C3OC2C1, Annotation [C12H4Cl4O2]+, Rule of HR False"
+320.89963	19553
+321.89291	201528
+322.89581	15220
+323.88989	78287
+324.89316	4390
+325.88702	5397
+356.07016	17772
+400.98398	2025
+
+NAME: 2,4,4'-Trichlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1905.2
+PRECURSORMZ: 255.96072
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H7Cl3
+INCHIKEY: BZTYNSQSZHARAZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 40
+74.01511	362321	"Theoretical m/z 74.015103, Mass diff 0 (0.1 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02294	807502	"Theoretical m/z 75.022928, Mass diff 0 (0.17 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-3H]+, Rule of HR True"
+85.00729	127419	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01508	162282	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02295	136960	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.00346	162225
+93.01131	624346
+94.00983	177287
+98.01511	348515
+99.02292	371828	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+109.99179	509319
+110.99031	437917
+122.01505	173550
+123.02289	264199	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+124.03074	121914
+125.03858	164032	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+149.03853	339675	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+150.04633	2123600
+151.05411	1159387	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.05743	136887
+160.00731	174886
+169.0647	381472
+179.06027	251090
+184.00728	147058
+185.01515	189170	"Theoretical m/z 185.015252, Mass diff 0 (0.55 ppm), SMILES *C1=CC=C(C(*)=C1)C=2C=CC(Cl)=CC2, Annotation [C12H9Cl-3H]+, Rule of HR True"
+186.02295	7140482
+187.02626	968763
+188.01996	2351637
+189.0233	237938
+219.98402	467887
+220.99208	328157	"Theoretical m/z 220.991932, Mass diff 0 (0.67 ppm), SMILES *C1=CC=C(C(Cl)=C1)C=2C=CC(Cl)=CC2, Annotation [C12H8Cl2-H]+, Rule of HR True"
+221.98102	380332
+222.98904	230166
+255.96072	10793160	"Theoretical m/z 255.960786, Mass diff 0 (0.26 ppm), SMILES ClC=1C=CC(=CC1)C2=CC=C(Cl)C=C2Cl, Annotation [C12H7Cl3]+, Rule of HR False"
+256.96405	1401491
+257.9577	10422625
+258.96109	1264260
+259.95474	3346546
+260.95807	411088
+261.95181	365239
+
+NAME: 2,2',4,5,5'-Pentachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2135
+PRECURSORMZ: 323.88284
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H5Cl5
+INCHIKEY: LAHWLEDBADHJGA-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 81
+73.00732	49115	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.04685	53340
+73.51125	59996
+74.01511	165272	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02298	48845	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+85.00733	94807	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01511	78988	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+91.49956	51376
+92.0035	259166
+92.5052	52327
+93.00208	85932
+96.98405	71619	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01518	260689
+99.02298	131533	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.9762	83899
+108.98404	404978	"Theoretical m/z 108.983957, Mass diff 0 (0.76 ppm), SMILES *C1=CC=C(Cl)C(*)=C1, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.98254	309832
+110.98106	104312
+119.99942	47711	"Theoretical m/z 120, Mass diff 0 (0 ppm), Formula C10"
+121.00726	59211	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01511	204103
+123.02295	133375	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+126.97234	511145
+127.97086	576667
+128.4725	63082
+128.96938	164455
+131.9762	63983
+137.03868	49392	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+143.95284	77054
+144.45683	45391
+144.95134	157259
+145.45546	54036
+146.01509	188732
+147.02287	185153	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03073	179377
+149.03859	224942	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+157.99167	61544
+161.94116	68060
+162.93964	75797
+163.9382	67183
+181.99173	80837
+182.99957	204808	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+184.00738	1189237
+184.9966	49662
+185.01071	197139
+186.0044	413810
+187.00778	48114
+193.96841	54801
+205.92654	60721
+217.96851	416228
+218.97646	315808	"Theoretical m/z 218.976831, Mass diff 0 (0 ppm), Formula C12H5Cl2"
+219.96552	305748
+220.97353	187740
+221.96256	73169
+236.98686	72373
+238.98399	48982
+246.9825	79209
+253.94518	3888313
+254.94844	421478
+255.94218	3700773
+256.9455	395366
+257.93924	1194810
+258.9426	90453
+259.93628	133179
+287.90637	54496
+288.91412	1152832	"Theoretical m/z 288.91399, Mass diff 0 (0.45 ppm), SMILES *C1=CC(Cl)=C(C=C1Cl)C2=CC(Cl)=CC=C2Cl, Annotation [C12H6Cl4-H]+, Rule of HR True"
+289.91681	180443
+290.91113	1581260
+291.91388	164712
+292.9082	700410
+293.91098	62132
+294.90521	164324
+323.88284	2519352	"Theoretical m/z 323.882844, Mass diff 0 (0.01 ppm), SMILES ClC1=CC=C(Cl)C(=C1)C=2C=C(Cl)C(Cl)=CC2Cl, Annotation [C12H5Cl5]+, Rule of HR False"
+324.8862	253157
+325.87982	4484672
+326.88315	453855
+327.8768	2812167
+328.88016	331733
+329.87387	899687
+330.87717	113344
+331.87085	152004
+
+NAME: 2,3',4,4',5-Pentachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2262.5
+PRECURSORMZ: 323.88257
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H5Cl5
+INCHIKEY: SXZSFWHOSHAKMN-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 58
+74.01506	121761	"Theoretical m/z 74.015103, Mass diff 0 (0.58 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+85.00724	50108	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01505	74621	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+92.00343	189857
+93.00198	69927
+98.01509	182582
+99.02291	88572	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97611	56733
+108.98394	260170	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.98245	208258
+122.015	124258
+123.0228	88868	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+126.97224	372193
+127.47389	58260
+127.97074	327513
+128.96925	78844
+132.98389	52453	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+143.95276	68973
+144.9512	101142
+146.01497	87971
+147.0228	119807	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03061	117157
+149.03848	150431	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+162.93951	64638
+181.99155	57645
+182.99936	127651	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+184.00722	833968
+185.01054	166521
+186.00423	268578
+203.92932	79849
+205.92633	77316
+217.96829	343836
+218.97614	174083	"Theoretical m/z 218.976831, Mass diff 0 (0 ppm), Formula C12H5Cl2"
+219.96532	244678
+220.97337	115430
+221.96231	54197
+236.98679	89669
+246.98233	69443
+253.94498	2202976
+254.94827	311280
+255.94197	1979242
+256.94528	280347
+257.93903	611890
+258.94235	83724
+259.93622	52433
+287.90594	47028
+289.90302	131453
+290.91144	53359
+291.91907	91471
+323.88257	2916298	"Theoretical m/z 323.882844, Mass diff 0 (0.85 ppm), SMILES ClC=1C=CC(=CC1)C2=CC(Cl)=C(Cl)C(Cl)=C2Cl, Annotation [C12H5Cl5]+, Rule of HR False"
+324.88596	383362
+325.87955	4664260
+326.88287	585781
+327.87649	2744785
+328.87982	371195
+329.87357	928666
+330.8768	124664
+331.87054	133304
+
+NAME: 2,2',3,4,4',5'-Hexachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2356.3
+PRECURSORMZ: 357.84372
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl6
+INCHIKEY: RPUMZMSNLZHIGZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 94
+73.04677	37322
+74.01508	72012	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+83.97615	65446
+85.00729	78595	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01507	66445	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+90.49171	37211
+91.05424	37488
+91.49025	34765
+98.01511	172025
+107.97614	49246
+108.48	59586
+108.98397	318358	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.47859	71962
+109.98247	259236
+119.97612	55278
+120.98383	37309	"Theoretical m/z 120.984503, Mass diff 0 (0 ppm), Formula C7H2Cl"
+121.00719	64004	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01503	147119
+123.02286	50120	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+125.96446	166625
+126.96297	137117
+127.96152	53454
+131.97612	90947
+132.98392	99028	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+137.03859	34213	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+143.95274	477648
+144.45442	39984
+144.95125	623040
+144.98379	36440	"Theoretical m/z 144.984503, Mass diff 0 (0 ppm), Formula C9H2Cl"
+145.45291	63006
+145.94977	266997
+146.015	149023
+146.45143	35546
+146.94829	47659
+147.02281	93557	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03059	101898
+149.04475	43584
+156.98378	37056	"Theoretical m/z 156.984503, Mass diff 0 (0 ppm), Formula C10H2Cl"
+157.99165	61243
+161.43738	36083
+161.93176	63881
+162.43587	58508
+170.99942	34702	"Theoretical m/z 171.000153, Mass diff 0 (0 ppm), Formula C11H4Cl"
+179.92001	102524
+180.91856	121919
+180.96053	40100	"Theoretical m/z 180.96118, Mass diff 0 (0 ppm), Formula C9H3Cl2"
+181.91713	37788
+181.99161	246728
+182.9994	191896	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+183.98871	96091
+184.99641	39095
+203.92938	41978
+204.91838	34124	"Theoretical m/z 204.914536, Mass diff -0.004 (0 ppm), Formula C5H5Cl4"
+215.95274	40255
+216.96054	91272	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.96837	1054255
+218.97166	204929
+219.96539	671639
+220.96874	80982
+221.96242	111605
+225.0428	37277
+227.92924	48760
+229.92635	43381
+237.89034	38952
+239.8875	62659
+251.92935	229459
+252.93759	212847
+253.92645	220901
+254.93457	204139
+256.93176	63527
+287.9061	2293216
+288.90939	308496
+289.90311	2906178
+290.90637	378323
+291.90015	1211029
+292.90338	182757
+293.89722	304835
+294.90036	38263
+322.87479	486244	"Theoretical m/z 322.875019, Mass diff 0 (0.71 ppm), SMILES *C=1C=C(Cl)C(=CC1Cl)C=2C=CC(Cl)=C(Cl)C2Cl, Annotation [C12H5Cl5-H]+, Rule of HR True"
+323.87903	84400
+324.87183	781733
+325.87616	58304
+326.86887	491506
+327.87302	57032
+328.86588	149591
+357.84372	1755078	"Theoretical m/z 357.843873, Mass diff 0 (0.43 ppm), SMILES ClC=1C=CC(=C(Cl)C1Cl)C2=CC(Cl)=C(Cl)C=C2Cl, Annotation [C12H4Cl6]+, Rule of HR False"
+358.84705	227966
+359.84067	3308778
+360.84402	427879
+361.83768	2589457
+362.8411	338154
+363.83466	1091533
+364.83798	147240
+365.8316	254076
+
+NAME: 2,2',4,4',5,5'-Hexachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2293.5
+PRECURSORMZ: 367.8283
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl6
+INCHIKEY: MVWHGTYKUMDIHL-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 118
+73.00729	49024	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.04681	57476
+73.5112	29476
+74.01509	67967	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+83.97617	56218
+85.00727	64327	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.0151	55344	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+90.49173	44002
+90.99567	32472
+91.05427	27277
+91.49959	30919
+96.98402	30930	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01512	133004
+99.02289	39595	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97611	84343
+108.48003	50116
+108.98398	298489	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.48566	54479
+109.9825	215494
+110.98105	61171
+119.97614	49388
+120.98393	29741	"Theoretical m/z 120.984503, Mass diff 0 (0 ppm), Formula C7H2Cl"
+121.00719	51469	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01508	119989
+123.02285	49211	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+125.96448	145901
+126.96298	139985
+127.96149	45906
+131.97614	77638
+132.98392	81237	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.97311	43869
+134.98088	36438
+137.03854	32557	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+143.95279	426571
+144.45441	46231
+144.95128	518072
+144.98401	28770	"Theoretical m/z 144.984503, Mass diff 0 (0 ppm), Formula C9H2Cl"
+145.45294	59909
+145.9498	375499
+146.01502	146001
+146.4514	27963
+146.94827	51493
+147.02286	155576	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03067	82838
+149.04477	38976
+155.97597	38072
+156.98386	37017	"Theoretical m/z 156.984503, Mass diff 0 (0 ppm), Formula C10H2Cl"
+157.99165	46142
+160.93318	31362
+161.43715	39863
+161.9317	55568
+162.43587	60388
+162.93028	40911
+163.43442	39603
+168.98369	38898	"Theoretical m/z 168.984503, Mass diff 0 (0 ppm), Formula C11H2Cl"
+170.99942	33348	"Theoretical m/z 171.000153, Mass diff 0 (0 ppm), Formula C11H4Cl"
+178.92154	37180	"Theoretical m/z 178.921665, Mass diff 0 (0.7 ppm), SMILES *C=1C=C(Cl)C(Cl)=CC1Cl, Annotation [C6H3Cl3-H]+, Rule of HR True"
+179.9201	61517
+180.91866	105500
+180.96054	47535	"Theoretical m/z 180.96118, Mass diff 0 (0 ppm), Formula C9H3Cl2"
+181.91719	31389
+181.99167	171559
+182.99937	165339	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+183.98871	80929
+184.99661	45156
+191.95267	32998
+193.94952	25740
+201.01007	28268
+203.92946	46036
+204.91864	27706
+205.92651	44218
+215.9528	32365
+216.96065	79414	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.96841	914005
+218.97163	174850
+219.96542	573949
+220.96875	82699
+221.96249	94643
+225.04279	34534
+227.9294	34191
+229.92654	34162
+234.97116	27562
+237.8904	26616
+239.88756	32340
+251.92949	188559
+252.93764	185949
+253.9265	225013
+254.93463	178664
+255.92358	91846
+256.93185	63653
+270.94806	36967
+272.94516	26749
+280.94339	29758
+287.90616	1931071
+288.90942	262630
+289.90314	2492554
+290.90637	318058
+291.90021	1180105
+292.90341	148383
+293.89728	267800
+294.90008	29057
+322.87488	566478	"Theoretical m/z 322.875019, Mass diff 0 (0.43 ppm), SMILES *C=1C=C(C(Cl)=CC1Cl)C=2C=C(Cl)C(Cl)=CC2Cl, Annotation [C12H5Cl5-H]+, Rule of HR True"
+323.87881	99462
+324.87186	932705
+325.87595	121902
+326.8689	579577
+327.87176	72427
+328.86597	185670
+330.86307	28803
+357.84375	1294426	"Theoretical m/z 357.843873, Mass diff 0 (0.34 ppm), SMILES ClC=1C=C(Cl)C(=CC1Cl)C=2C=C(Cl)C(Cl)=CC2Cl, Annotation [C12H4Cl6]+, Rule of HR False"
+358.84711	162895
+359.84073	2498988
+360.84415	310415
+361.83774	1928409
+362.8411	245951
+363.83472	820674
+364.83807	103641
+365.8316	195654
+
+NAME: 2,2',3,4,4',5,5'-Heptachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2504.8
+PRECURSORMZ: 391.80481
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Cl7
+INCHIKEY: WBHQEUPUMONIKF-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 122
+73.00728	35826	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.0468	39971
+74.01507	30362	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+83.97613	42210
+85.00726	39218	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01507	36870	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+89.98776	40502
+90.49173	45364
+90.99559	27944
+91.05424	30969
+95.9761	22043
+97.00721	20897	"Theoretical m/z 97.007825, Mass diff 0 (0 ppm), Formula C8H"
+98.01511	61238
+106.94494	23188	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.47217	27740
+107.97608	102915
+108.47995	57727
+108.98386	33828	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.00729	67820	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+110.0151	58007
+117.9371	21693
+119.9761	44531
+119.99937	54729	"Theoretical m/z 120, Mass diff 0 (0 ppm), Formula C10"
+121.00717	34394	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01507	72476
+125.46052	34042
+125.96443	203426
+126.45897	55841
+126.96295	200972
+127.46461	34183
+127.96147	56168
+130.94495	26910	"Theoretical m/z 130.94553, Mass diff 0 (0 ppm), Formula C5HCl2"
+131.9761	86933
+132.98379	60059	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.97319	34141
+141.9371	26207
+142.94493	112323	"Theoretical m/z 142.944986, Mass diff 0 (0.39 ppm), SMILES *C=1C=C(*)C(Cl)=CC1Cl, Annotation [C6H4Cl2-3H]+, Rule of HR True"
+143.94345	129582
+143.976	29648
+144.94194	57527
+146.01498	170141
+147.02278	73125	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+155.97597	41708
+156.98387	30091	"Theoretical m/z 156.984503, Mass diff 0 (0 ppm), Formula C10H2Cl"
+157.97296	26358
+160.93321	275102
+161.43491	39307
+161.93175	455646
+162.43341	49854
+162.93027	222075
+163.43188	35040
+163.92874	87935
+166.94495	27256	"Theoretical m/z 166.94553, Mass diff 0 (0 ppm), Formula C8HCl2"
+167.9761	40242
+168.94196	23075
+178.41779	25465
+178.91216	42363
+179.41618	34941
+179.91072	44525
+179.97597	100996
+180.41473	45014
+180.98386	75325	"Theoretical m/z 180.984503, Mass diff 0 (0 ppm), Formula C12H2Cl"
+181.99155	179822
+182.99496	33027
+191.95273	42602
+193.94974	25912
+195.9019	31066
+196.90054	74280
+197.89903	56754
+198.89754	38073
+203.92952	26883
+204.96051	26554	"Theoretical m/z 204.96118, Mass diff 0 (0 ppm), Formula C11H3Cl2"
+206.9763	20614
+214.92139	24094	"Theoretical m/z 214.922208, Mass diff 0 (0 ppm), Formula C9H2Cl3"
+215.95273	137657
+216.96066	114687	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.94974	119056
+218.95775	78085
+219.94693	30079
+237.8904	20626
+251.92937	726661
+252.93256	139554
+253.92639	717337
+254.92966	96889
+255.92346	195870
+256.92676	31453
+261.89026	21240
+263.88751	32346
+285.89047	103154
+286.89841	153754	"Theoretical m/z 286.898886, Mass diff 0 (0 ppm), Formula C12H3Cl4"
+287.88745	151855
+288.89545	191413
+289.88464	85894
+290.89255	94385
+291.90131	37011
+321.86694	1209727
+322.87012	160656
+323.86392	1933824
+324.8671	247500
+325.86096	1138098
+326.8641	153575
+327.85797	360189
+328.86121	50951
+329.85492	25574
+356.83578	309802	"Theoretical m/z 356.836048, Mass diff 0 (0.75 ppm), SMILES *C=1C=C(C(Cl)=CC1Cl)C=2C=C(Cl)C(Cl)=C(Cl)C2Cl, Annotation [C12H4Cl6-H]+, Rule of HR True"
+357.84088	47489
+358.83282	517099
+359.83777	90974
+360.82986	440087
+361.83398	69329
+362.82694	180250
+363.83026	22548
+364.82376	28817
+391.80481	803866	"Theoretical m/z 391.804902, Mass diff 0 (0.23 ppm), SMILES ClC=1C=C(Cl)C(=CC1Cl)C=2C=C(Cl)C(Cl)=C(Cl)C2Cl, Annotation [C12H3Cl7]+, Rule of HR False"
+392.80817	104528
+393.80167	1690056
+394.80502	232676
+395.79871	1517478
+396.80212	216255
+397.79572	817244
+398.79916	119227
+399.79269	220494
+
+NAME: 2,2',5,5'-Tetrachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1967.4
+PRECURSORMZ: 289.92169
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H6Cl4
+INCHIKEY: HCWZEPKLWVAEOV-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 70
+72.98392	71693	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+73.0468	80242
+74.01507	336544	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02293	367713	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+85.00728	138714	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01507	161851	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.0229	93097	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.00343	567988
+92.50509	85530
+93.00199	198648
+96.98392	115879	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01507	404479
+99.02289	308638	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+106.51041	78043
+108.98396	201972	"Theoretical m/z 108.983957, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(Cl)C(*)=C1, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99176	853173
+110.49343	97244
+110.99026	579734
+111.98881	85321
+122.01504	252879
+123.02286	360572	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+124.0307	133618
+126.97225	267640
+127.47623	73300
+127.97077	254758
+128.4747	72290
+128.96934	80746
+135.02289	83372	"Theoretical m/z 135.023475, Mass diff 0 (0 ppm), Formula C11H3"
+144.96051	112378	"Theoretical m/z 144.960636, Mass diff 0 (0.87 ppm), SMILES *C1=CC(Cl)=CC=C1Cl, Annotation [C6H4Cl2-H]+, Rule of HR True"
+145.95906	116038
+146.01498	100325
+146.99942	129562	"Theoretical m/z 147.000153, Mass diff 0 (0 ppm), Formula C9H4Cl"
+147.02281	222398	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03059	135381
+149.03848	557144	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+150.04626	1694279
+151.04958	235049
+158.99947	82437	"Theoretical m/z 159.000153, Mass diff 0 (0 ppm), Formula C10H4Cl"
+160.00728	74173
+169.96825	89886
+184.00725	795416
+185.01506	544444	"Theoretical m/z 185.015803, Mass diff 0 (0 ppm), Formula C12H6Cl"
+186.00429	337156
+187.01213	154308
+193.96826	82187
+203.02562	305147
+205.02272	95630
+213.02127	202593
+219.98395	7135788
+220.98724	927331
+221.98093	4612360
+222.98428	591045
+223.97798	763507
+224.98137	92759
+253.94502	129445
+254.95282	3046484	"Theoretical m/z 254.952961, Mass diff 0 (0.55 ppm), SMILES *C1=CC=C(Cl)C(=C1)C=2C=C(Cl)C=CC2Cl, Annotation [C12H7Cl3-H]+, Rule of HR True"
+255.95593	477836
+256.94983	2943332
+257.95288	384284
+258.94696	913976
+259.94989	106619
+260.94409	100056
+289.92169	4850866	"Theoretical m/z 289.921815, Mass diff 0 (0.43 ppm), SMILES ClC1=CC=C(Cl)C(=C1)C=2C=C(Cl)C=CC2Cl, Annotation [C12H6Cl4]+, Rule of HR False"
+290.92505	625450
+291.91867	6226534
+292.92203	807667
+293.91571	2993889
+294.91898	378662
+295.91266	648459
+296.91586	79360
+
+
+NAME: 2,3',4,6-Tetrachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1958
+PRECURSORMZ: 289.92172
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H6Cl4
+INCHIKEY: CKUBKYSLNCKBOI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 61
+74.01507	168854	"Theoretical m/z 74.015103, Mass diff 0 (0.44 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02292	192552	"Theoretical m/z 75.022928, Mass diff 0 (0.1 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-3H]+, Rule of HR True"
+85.00725	77142	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01504	81705	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02292	61389	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.00343	345697
+93.00201	111447
+96.98399	67706	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01508	239063
+99.02291	155481	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+108.98396	127841	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.99177	414078
+110.99027	278224
+111.02286	62866	"Theoretical m/z 111.023475, Mass diff 0 (0 ppm), Formula C9H3"
+121.02834	84986
+122.01504	148529
+123.02286	210108	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+124.03072	54174
+126.97225	181145
+127.47397	57521
+127.97076	165187
+128.9693	58802
+146.015	98418
+147.0228	89928	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+147.06548	86753
+148.03066	69753
+149.02322	1010868
+150.04628	971692
+151.04956	137323
+160.0072	56012
+177.09088	57300
+182.99928	55799	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+184.00726	527912
+185.01514	327636	"Theoretical m/z 185.015803, Mass diff 0 (0 ppm), Formula C12H6Cl"
+186.00426	222024
+187.01215	91797
+193.9682	60086
+203.02564	159382
+205.02277	57946
+205.08565	57595
+213.02129	110882
+218.97629	61407	"Theoretical m/z 218.976281, Mass diff 0 (0.04 ppm), SMILES *C=1C=CC=C(C1)C2=C(*)C=C(Cl)C=C2Cl, Annotation [C12H8Cl2-3H]+, Rule of HR True"
+219.98398	3719134
+220.98724	579427
+221.98097	2286110
+222.98425	322337
+223.97798	390997
+253.94499	148375
+254.95299	329668	"Theoretical m/z 254.952961, Mass diff 0 (0.12 ppm), SMILES *C=1C=CC=C(C1)C2=C(Cl)C=C(Cl)C=C2Cl, Annotation [C12H7Cl3-H]+, Rule of HR True"
+255.94209	187557
+256.94998	349915
+257.9393	94393
+258.94702	103314
+289.92172	4329966	"Theoretical m/z 289.921815, Mass diff 0 (0.33 ppm), SMILES ClC=1C=CC=C(C1)C2=C(Cl)C=C(Cl)C=C2Cl, Annotation [C12H6Cl4]+, Rule of HR False"
+290.92511	612410
+291.9187	5407150
+292.92203	783945
+293.91571	2553950
+294.91888	377218
+295.91263	535235
+296.91598	73875
+
+NAME: 2,3',5',6-Tetrachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1964.7
+PRECURSORMZ: 289.92172
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H6Cl4
+INCHIKEY: HDULUCZRGGWTMZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 51
+74.01507	4419034	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02293	6029389	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+85.00727	2330167	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01507	2539083	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+92.00343	10022139
+93.00198	3206603
+98.01509	7002333
+99.02289	5541008	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+108.98393	1858136	"Theoretical m/z 108.983957, Mass diff 0 (0.24 ppm), SMILES *C1=CC=CC(Cl)=C1*, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99176	9472445
+110.99026	7249389
+122.01502	2568782
+123.02285	6152980	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+126.97224	4695100
+127.47616	1590950
+127.97076	4936486
+128.47467	1699812
+144.9839	1557854	"Theoretical m/z 144.984503, Mass diff 0 (0 ppm), Formula C9H2Cl"
+146.01492	1600908
+146.99951	1744582	"Theoretical m/z 147.000153, Mass diff 0 (0 ppm), Formula C9H4Cl"
+147.0228	3618044	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03066	2657064
+149.03845	9980351	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+150.04626	28800946
+151.04962	2782250
+169.96837	1575990
+184.00726	15267581
+185.01498	10438484	"Theoretical m/z 185.015803, Mass diff 0 (0 ppm), Formula C12H6Cl"
+186.0043	6247950
+187.01201	3361732
+203.02566	2998792
+219.98396	114490120
+220.98727	15845796
+221.98094	75084184
+222.98424	10050279
+223.97798	12443963
+224.98134	1557077
+253.94496	3163522
+254.9529	17607464	"Theoretical m/z 254.952961, Mass diff 0 (0.24 ppm), SMILES *C1=CC=CC(Cl)=C1C=2C=C(Cl)C=C(Cl)C2, Annotation [C12H7Cl3-H]+, Rule of HR True"
+255.94205	5443356
+256.94998	17173664
+257.95276	3018352
+258.94696	5393340
+289.92172	122066280	"Theoretical m/z 289.921815, Mass diff 0 (0.33 ppm), SMILES ClC=1C=C(Cl)C=C(C1)C=2C(Cl)=CC=CC2Cl, Annotation [C12H6Cl4]+, Rule of HR False"
+290.92508	15353658
+291.9187	154295952
+292.92203	20451212
+293.91568	61936836
+294.91894	9001801
+295.91263	11631765
+296.91598	1904012
+
+NAME: 2,2',3,4',5-Pentachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2134.2
+PRECURSORMZ: 323.88272
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H5Cl5
+INCHIKEY: SUOAMBOBSWRMNQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 89
+73.00729	1413012	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.5112	828937
+74.0151	2308691	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02293	862082	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+83.97614	948542
+85.00729	1343116	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01511	1285818	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+91.49956	828504
+92.00346	4153861
+92.50514	619015
+93.00204	1172871
+96.98399	1005127	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01511	3613357
+99.02293	1828363	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97612	1159370
+108.98399	5734263	"Theoretical m/z 108.983957, Mass diff 0 (0.31 ppm), SMILES *C1=CC=C(*)C(Cl)=C1, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.48568	742034
+109.98249	4221164
+110.981	1390199
+119.97619	789206
+120.98395	882507	"Theoretical m/z 120.984503, Mass diff 0 (0 ppm), Formula C7H2Cl"
+122.01507	3084588
+123.02289	2629704	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+124.03074	616613
+126.97229	8263970
+127.47397	1095289
+127.9708	8049811
+128.47246	890525
+128.96932	2529931
+131.97607	880075
+132.98396	1166189	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+134.01502	785739
+134.981	694237
+137.03859	789862	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+143.95277	1944843
+144.45679	667913
+144.95129	2619597
+145.45532	834756
+145.94984	1074221
+146.01508	3121011
+147.02284	2908670	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03067	2710110
+149.0385	3709466	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+157.99167	883768
+158.9995	623553	"Theoretical m/z 159.000153, Mass diff 0 (0 ppm), Formula C10H4Cl"
+162.93959	939836
+163.93811	645968
+181.99165	1207834
+182.99951	3261786	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+184.00729	18871096
+185.01062	3407926
+186.00435	6227024
+187.00768	727016
+193.96832	875071
+205.92641	584848
+217.96838	6022010
+218.9764	5208298	"Theoretical m/z 218.976831, Mass diff 0 (0 ppm), Formula C12H5Cl2"
+219.96542	4627166
+220.97346	3082795
+221.96242	1099147
+222.97046	618837
+236.98692	1136109
+238.98372	682602
+246.98245	1204291
+248.97952	815047
+253.94508	57280164
+254.94836	7761293
+255.94206	55440044
+256.9454	7009622
+257.93912	17478932
+258.94244	2150148
+259.93622	2007112
+287.90591	785468
+288.914	23386100	"Theoretical m/z 288.91399, Mass diff 0 (0.04 ppm), SMILES *C1=C(Cl)C=C(Cl)C=C1C=2C=CC(Cl)=CC2Cl, Annotation [C12H6Cl4-H]+, Rule of HR True"
+289.9169	3832980
+290.91101	29685224
+291.91394	4005193
+292.90805	14183492
+293.9111	1775306
+294.90497	2984590
+323.88272	35021692	"Theoretical m/z 323.882844, Mass diff 0 (0.38 ppm), SMILES ClC=1C=CC(=C(Cl)C1)C2=CC(Cl)=CC(Cl)=C2Cl, Annotation [C12H5Cl5]+, Rule of HR False"
+324.88605	4293714
+325.87967	55625832
+326.883	7154100
+327.87665	34696428
+328.87997	4499654
+329.87372	11441034
+330.87711	1418243
+331.87076	1811195
+
+NAME: 2,3,3',4,5-Pentachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2258.7
+PRECURSORMZ: 323.88266
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H5Cl5
+INCHIKEY: BQENMISTWGTJIJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC=CC(=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 58
+74.01507	1480924	"Theoretical m/z 74.015103, Mass diff 0 (0.44 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02294	969196	"Theoretical m/z 75.022928, Mass diff 0 (0.17 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-3H]+, Rule of HR True"
+85.00728	921775	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01508	788128	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+92.00344	3230023
+93.00199	968051
+98.01511	2377935
+99.0229	1229602	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97609	1234356
+108.98396	4200307	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.98248	3404975
+122.01504	2039627
+123.02287	1803384	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+126.97226	5951016
+127.97076	5522212
+128.47243	704096
+128.96927	1830038
+131.97609	1113315
+132.9839	900849	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+143.95276	2042551
+144.95128	2883706
+145.94977	1107744
+146.01503	2175366
+147.0228	1674502	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03064	1605556
+149.0385	3296970	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+182.99945	2475054	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+184.00726	15100134
+184.99654	711499
+185.0106	2250271
+186.00429	4730404
+193.9682	768854
+217.96837	5214658
+218.97638	3481540	"Theoretical m/z 218.976831, Mass diff 0 (0 ppm), Formula C12H5Cl2"
+219.96535	4231638
+220.9735	2006493
+236.98671	956661
+246.98244	932084
+253.94501	38403068
+254.9483	5545256
+255.94203	36823152
+256.94534	3474397
+257.93909	11322146
+258.94244	1595360
+259.93619	1010009
+287.9061	1353893
+288.91422	1334546
+289.90314	1845523
+290.91119	1870134
+323.88266	43504888	"Theoretical m/z 323.882844, Mass diff 0 (0.57 ppm), SMILES ClC=1C=CC=C(C1)C2=CC(Cl)=C(Cl)C(Cl)=C2Cl, Annotation [C12H5Cl5]+, Rule of HR False"
+324.88602	3190552
+325.87961	69130656
+326.88296	5999174
+327.87656	43809764
+328.87994	5217890
+329.87363	13903349
+330.87698	1536312
+331.87064	2172725
+
+NAME: 3,3',4,5,5'-Pentachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2316.2
+PRECURSORMZ: 323.88278
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H5Cl5
+INCHIKEY: MXVAYAXIPRGORY-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC(=CC(Cl)=C1)C1=CC(Cl)=C(Cl)C(Cl)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 59
+73.00732	876875	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+74.01511	2011304	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+83.97617	860068
+85.00729	1040532	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.0151	1022134	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+92.00346	3116206
+93.00201	1008347
+98.01513	2732094
+99.02295	1703694	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97613	934995
+108.98399	4744768	"Theoretical m/z 108.983957, Mass diff 0 (0.31 ppm), SMILES *C=1C=C(*)C=C(Cl)C1, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.9825	3377600
+110.98101	1075884
+122.0151	1821010
+123.02293	1686068	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+126.9723	6111749
+127.47396	862206
+127.97081	5795984
+128.96933	1829834
+132.98396	949485	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+143.95281	1700985
+144.95132	2217990
+145.94981	882647
+146.01504	1415864
+147.02287	1890160	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03068	1831282
+149.03856	2685573	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+162.93965	883833
+181.99164	899784
+182.99953	2628383	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+184.00734	13264301
+185.01067	2448793
+186.00436	4226800
+217.96843	5755302
+218.97649	3884486	"Theoretical m/z 218.976831, Mass diff 0 (0 ppm), Formula C12H5Cl2"
+219.96545	4241614
+220.97359	2342590
+221.96252	1004010
+236.98683	1022114
+246.98244	1003759
+253.9451	34761116
+254.94846	4932495
+255.94211	33294622
+256.94546	4374900
+257.93915	10524256
+258.9426	1364412
+259.93628	1144513
+287.90622	1272897
+289.9032	1959947
+291.90027	1307598
+323.88278	47302104	"Theoretical m/z 323.882844, Mass diff 0 (0.2 ppm), SMILES ClC=1C=C(Cl)C=C(C1)C=2C=C(Cl)C(Cl)=C(Cl)C2, Annotation [C12H5Cl5]+, Rule of HR False"
+324.88611	6032019
+325.87973	75422216
+326.88306	9608936
+327.87665	47349400
+328.88004	6017132
+329.87369	15151001
+330.87704	1884597
+331.87082	2327663
+
+NAME: 2,3',4,4',5',6-Hexachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2305.4
+PRECURSORMZ: 357.84381
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl6
+INCHIKEY: PITHIPNORFGJPI-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC(Cl)=C(C(Cl)=C1)C1=CC(Cl)=C(Cl)C(Cl)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 92
+73.0073	1335048	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.51123	663367
+74.01509	1204484	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+83.97615	998969
+85.0073	968546	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01511	936857	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+90.49174	938040
+90.99562	645830
+96.98392	624273	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01512	2406776
+99.0229	635152	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97614	1442993
+108.48004	1052114
+108.98399	4852882	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.48563	1050958
+109.9825	3702698
+110.98102	955794
+119.99947	774392	"Theoretical m/z 120, Mass diff 0 (0 ppm), Formula C10"
+121.0073	840742	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01508	2094049
+123.02284	876160	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+125.96446	2576642
+126.96302	2626334
+127.96146	787590
+131.97607	1444228
+132.98396	1355399	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.97305	811757
+134.98096	660191
+143.95281	6949772
+144.45444	783555
+144.95129	8602262
+145.45294	1003153
+145.94981	6544343
+146.015	2706630
+146.94833	1072226
+147.02284	3247631	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03064	1428140
+157.99167	880584
+161.43727	1004084
+161.93185	812571
+162.43571	1630895
+162.93036	647704
+163.43433	1031423
+168.96046	708801	"Theoretical m/z 168.96118, Mass diff 0 (0 ppm), Formula C8H3Cl2"
+179.9201	936038
+180.91864	1703436
+180.98376	924600	"Theoretical m/z 180.984503, Mass diff 0 (0 ppm), Formula C12H2Cl"
+181.99162	3164480
+182.9994	3298858	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+183.98872	1449937
+184.99651	991955
+203.92941	801798
+205.92648	847739
+215.9528	576653
+216.96071	1801653	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.96841	15290175
+218.95776	1132590
+218.97171	3016501
+219.96544	9521972
+220.96875	1373041
+221.96251	1576848
+227.92937	662560
+229.92647	597331
+251.92946	3722046
+252.93759	3722838	"Theoretical m/z 252.937858, Mass diff 0 (0 ppm), Formula C12H4Cl3"
+253.92647	4167814
+254.9346	3586176
+255.92349	1614014
+256.9317	1169147
+287.90616	31820882
+288.90948	4399560
+289.90314	40485136
+290.90652	5437886
+291.90018	19605134
+292.9035	2509861
+293.89728	4191456
+322.87485	2923034	"Theoretical m/z 322.875019, Mass diff 0 (0.52 ppm), SMILES *C1=CC(=CC(Cl)=C1Cl)C2=C(Cl)C=C(Cl)C=C2Cl, Annotation [C12H5Cl5-H]+, Rule of HR True"
+323.86426	1060358
+324.87192	4496002
+325.88031	1103428
+326.86893	2946534
+328.86588	924025
+357.84381	29869508	"Theoretical m/z 357.843873, Mass diff 0 (0.18 ppm), SMILES ClC1=CC(Cl)=C(C(Cl)=C1)C=2C=C(Cl)C(Cl)=C(Cl)C2, Annotation [C12H4Cl6]+, Rule of HR False"
+358.84717	3866049
+359.84076	57028544
+360.84412	7236262
+361.83771	44783812
+362.84116	5676280
+363.83475	18634246
+364.83789	2427742
+365.8316	4302496
+366.83496	572278
+
+NAME: 2,3,3',4,5,6-Hexachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2357.8
+PRECURSORMZ: 357.84369
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl6
+INCHIKEY: JHJMZCXLJXRCHK-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC=CC(=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 104
+73.00728	251454	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+74.01508	366070	"Theoretical m/z 74.015103, Mass diff 0 (0.3 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02293	367961	"Theoretical m/z 75.022928, Mass diff 0 (0.03 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-3H]+, Rule of HR True"
+83.97616	294491
+85.00725	418892	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+91.49953	283128
+97.00732	392521	"Theoretical m/z 97.007825, Mass diff 0 (0 ppm), Formula C8H"
+98.01509	281507
+99.0229	311640	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97608	369111
+108.98394	2181578	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.48558	387763
+109.98245	1440639
+117.93705	337337
+119.9761	662423
+121.00717	360073	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01502	771255
+125.96442	1266073
+126.4661	469269
+126.96294	1219177
+127.46696	284794
+127.96144	370956
+130.94495	291081	"Theoretical m/z 130.94553, Mass diff 0 (0 ppm), Formula C5HCl2"
+131.97609	1442170
+132.98392	280461	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.97316	427863
+137.03851	291538	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+140.90581	244690	"Theoretical m/z 140.906558, Mass diff 0 (0 ppm), Formula C3Cl3"
+141.93709	752446
+142.94496	411002	"Theoretical m/z 142.94553, Mass diff 0 (0 ppm), Formula C6HCl2"
+143.95274	3565736
+144.45436	410113
+144.95126	3051477
+145.4529	489107
+145.94975	2040617
+146.01498	660408
+146.94827	302051
+147.02278	1216762	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03061	1193733
+155.976	686115
+156.98384	241009	"Theoretical m/z 156.984503, Mass diff 0 (0 ppm), Formula C10H2Cl"
+160.9332	479063
+161.43729	318829
+161.93172	885015
+162.43593	434564
+162.93028	514086
+163.43434	281251
+165.937	240996
+166.94475	296857	"Theoretical m/z 166.94553, Mass diff 0 (0 ppm), Formula C8HCl2"
+178.92156	572332	"Theoretical m/z 178.922208, Mass diff 0 (0 ppm), Formula C6H2Cl3"
+179.92006	424405
+180.91855	279969
+181.99159	636678
+182.9994	1461336	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+183.98869	498377
+184.99644	448225
+193.96831	312512
+201.91365	313873
+216.96062	658632	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.96834	8389829
+218.95766	336845
+218.97162	1529098
+219.96535	5302854
+220.96874	812624
+221.96239	939484
+225.91354	407466
+227.91072	344461
+238.87964	396996	"Theoretical m/z 238.875564, Mass diff -0.005 (0 ppm), Formula C5H4Cl5"
+250.87978	263145	"Theoretical m/z 250.875564, Mass diff -0.005 (0 ppm), Formula C6H4Cl5"
+251.92937	1710636
+252.93752	1529643
+253.92641	1861917
+254.93452	1343625
+255.92345	771049
+256.93155	451566
+263.8877	253133
+273.84851	239282
+286.89822	293085	"Theoretical m/z 286.89834, Mass diff 0 (0.42 ppm), SMILES *C=1C(*)=C(C(Cl)=C(Cl)C1Cl)C2=CC=CC(Cl)=C2, Annotation [C12H6Cl4-3H]+, Rule of HR True"
+287.90607	15321887
+288.90939	2391700
+289.90305	19137548
+290.9064	2805571
+291.90012	8967636
+292.90341	1243676
+293.89719	1968694
+294.90045	260167
+321.86688	456940
+322.87491	830664	"Theoretical m/z 322.875019, Mass diff 0 (0.34 ppm), SMILES *C=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1C2=CC=CC(Cl)=C2, Annotation [C12H5Cl5-H]+, Rule of HR True"
+323.86408	1063280
+324.87186	1337288
+325.87997	909981
+326.8689	909766
+327.87738	399537
+328.86572	300288
+357.84369	12992713	"Theoretical m/z 357.843873, Mass diff 0 (0.51 ppm), SMILES ClC=1C=CC=C(C1)C2=C(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl, Annotation [C12H4Cl6]+, Rule of HR False"
+358.84708	1856743
+359.84064	23564186
+360.84399	3399987
+361.83758	18467184
+362.841	2580178
+363.8346	7369355
+364.83792	1125528
+365.83151	1612944
+366.83478	258171
+
+NAME: 2,3,3',4',5',6-Hexachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2356.1
+PRECURSORMZ: 357.84381
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl6
+INCHIKEY: HAZQOLYHFUUJJN-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC=C(Cl)C(=C1Cl)C1=CC(Cl)=C(Cl)C(Cl)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 97
+73.00728	2001439	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.5112	888113
+74.0151	1842665	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+83.97616	1526535
+85.00728	1628015	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01511	1366227	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+90.49174	1248544
+90.99564	830658
+91.49023	894521
+97.00726	917867	"Theoretical m/z 97.007825, Mass diff 0 (0 ppm), Formula C8H"
+98.01511	3617165
+99.02293	870585	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.9761	2254180
+108.48005	1358138
+108.984	7655590	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.4786	1433628
+109.98252	5312850
+110.981	1364056
+119.97611	1175901
+121.00717	1206170	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01506	3341147
+123.0229	1207866	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+125.96448	4264626
+126.963	3894158
+127.96148	1312804
+131.97615	2122677
+132.98395	2094210	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.97311	1194141
+134.981	1058660
+143.95281	9675491
+144.45444	1069360
+144.95131	12390048
+145.45296	1478164
+145.9498	9017158
+146.01502	3783948
+146.94832	1226440
+147.02284	4203972	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03068	2326924
+155.97601	847179
+156.98384	888677	"Theoretical m/z 156.984503, Mass diff 0 (0 ppm), Formula C10H2Cl"
+157.99176	1209532
+160.9332	1034838
+161.43747	884724
+161.93181	1728172
+162.4357	1288316
+162.93034	1094655
+163.43446	823267
+168.9418	1008663
+178.92152	917980	"Theoretical m/z 178.921665, Mass diff 0 (0.81 ppm), SMILES *C=1C(Cl)=CC=C(Cl)C1Cl, Annotation [C6H3Cl3-H]+, Rule of HR True"
+179.92004	2443621
+180.91858	3005291
+180.96042	1552710	"Theoretical m/z 180.96118, Mass diff 0 (0 ppm), Formula C9H3Cl2"
+181.9171	899890
+181.99164	4571687
+182.9994	5260609	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+183.98871	1973912
+184.99644	1452372
+204.96062	874804	"Theoretical m/z 204.96118, Mass diff 0 (0 ppm), Formula C11H3Cl2"
+205.92647	841973
+215.95279	1051354
+216.96068	2733484	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.9684	22377460
+218.95779	1576934
+218.97174	4294898
+219.96542	14193202
+220.96875	2031920
+221.96251	2304943
+227.92946	916763
+229.9265	891234
+251.92946	5269947
+252.93761	5308805	"Theoretical m/z 252.937858, Mass diff 0 (0 ppm), Formula C12H4Cl3"
+253.92647	5806923
+254.93456	5061928
+255.92364	2290014
+256.93173	1722982
+287.90616	45088884
+288.90945	6196442
+289.90314	59052752
+290.90646	7574166
+291.90018	28169676
+292.90353	3448884
+293.89725	5903061
+322.87488	3360516	"Theoretical m/z 322.875019, Mass diff 0 (0.43 ppm), SMILES *C1=CC=C(Cl)C(=C1Cl)C=2C=C(Cl)C(Cl)=C(Cl)C2, Annotation [C12H5Cl5-H]+, Rule of HR True"
+323.86414	1393039
+324.87201	5498215
+325.88	1072410
+326.86902	3467760
+328.86612	1026676
+357.84381	42607844	"Theoretical m/z 357.843873, Mass diff 0 (0.18 ppm), SMILES ClC1=CC=C(Cl)C(=C1Cl)C=2C=C(Cl)C(Cl)=C(Cl)C2, Annotation [C12H4Cl6]+, Rule of HR False"
+358.84717	5473458
+359.84076	82236640
+360.84412	9960571
+361.83771	65406020
+362.8411	8307757
+363.83472	27444266
+364.83804	3473612
+365.83157	6450292
+
+NAME: 2,3,3',4',5,6-Hexachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2360.8
+PRECURSORMZ: 357.84372
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl6
+INCHIKEY: ZAGRQXMWMRUYRB-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC=C(C=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 64
+73.00726	154588	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.51115	91322
+74.01509	134361	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+83.97617	98881
+85.00727	170146	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01511	102755	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+90.49174	89333
+98.01509	225434
+107.9761	167810
+108.98396	759054	"Theoretical m/z 108.983957, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(*)C(Cl)=C1, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.47864	122336
+109.98246	518143
+110.98093	103489
+122.01506	144111
+125.96446	384918
+126.96297	218407
+127.9615	97388
+132.98395	173538	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.97313	114920
+134.98091	80850
+143.95276	815390
+144.95126	946592
+145.45296	135219
+145.94977	711756
+146.01497	302571
+146.94824	145203
+147.02278	427874	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03062	155194
+155.976	94804
+156.98393	95909	"Theoretical m/z 156.984503, Mass diff 0 (0 ppm), Formula C10H2Cl"
+161.93175	198254
+179.92004	163013
+180.91862	247130
+180.98372	123165	"Theoretical m/z 180.984503, Mass diff 0 (0 ppm), Formula C12H2Cl"
+181.99158	243818
+182.9994	485271	"Theoretical m/z 183.000153, Mass diff 0 (0 ppm), Formula C12H4Cl"
+215.95264	95630
+216.96062	199742	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.96837	1874667
+219.96538	1460507
+221.96242	234049
+227.92929	97301
+251.9294	481983
+252.93759	283269
+253.92644	248543
+254.93457	392285
+255.9236	147868
+256.93167	91341
+287.9061	4360092
+289.90308	5085083
+291.90015	2231100
+292.90344	100469
+293.89719	614535
+324.87192	131577
+326.86899	86336
+357.84372	3741015	"Theoretical m/z 357.843873, Mass diff 0 (0.43 ppm), SMILES ClC=1C=CC(=CC1Cl)C2=C(Cl)C(Cl)=CC(Cl)=C2Cl, Annotation [C12H4Cl6]+, Rule of HR False"
+358.84705	137305
+359.8407	7998616
+360.84406	219766
+361.83765	6181728
+362.84106	418871
+363.83469	2647986
+364.83792	132998
+365.8316	613472
+
+NAME: 2,3,3',4',5,5',6-Heptachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2504.6
+PRECURSORMZ: 391.8049
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Cl7
+INCHIKEY: SSTJUBQGYXNFFP-UHFFFAOYSA-N
+INCHI: 
+SMILES: ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 111
+73.00729	686542	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+83.97612	850771
+85.00726	799356	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01504	566243	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+89.98778	744837
+90.49172	869000
+90.99555	556373
+95.9761	396846
+97.00728	396039	"Theoretical m/z 97.007825, Mass diff 0 (0 ppm), Formula C8H"
+98.01509	1184580
+107.4722	377646
+107.97611	1843994
+108.48001	947860
+108.98396	967585	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.00729	1650626	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+109.47855	465996
+109.97317	377732
+119.97607	965078
+121.0073	645557	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+122.01503	1032812
+125.4605	481384
+125.96442	2729466
+126.45908	832848
+126.96295	3234580
+127.46458	577505
+127.96147	1035292
+130.94495	446993	"Theoretical m/z 130.94553, Mass diff 0 (0 ppm), Formula C5HCl2"
+131.97609	1901284
+132.98389	810102	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.9731	832827
+142.94493	2009310	"Theoretical m/z 142.944986, Mass diff 0 (0.39 ppm), SMILES *C=1C=C(*)C(Cl)=C(Cl)C1, Annotation [C6H4Cl2-3H]+, Rule of HR True"
+143.94344	3052032
+143.97606	912445
+144.94199	1849272
+145.00717	602062	"Theoretical m/z 145.007825, Mass diff 0 (0 ppm), Formula C12H"
+146.01498	2816083
+147.02275	992037	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+155.97592	643607
+156.98392	515365	"Theoretical m/z 156.984503, Mass diff 0 (0 ppm), Formula C10H2Cl"
+160.93323	4261446
+161.43488	527440
+161.93172	5616810
+162.93024	4427104
+163.43192	385800
+163.92874	1136300
+166.9449	477973	"Theoretical m/z 166.94553, Mass diff 0 (0 ppm), Formula C8HCl2"
+167.97598	532801
+168.94173	491041
+177.9138	520576
+178.91214	776584
+179.41621	717685
+179.91071	748976
+179.97597	1560750
+180.41482	687004
+180.90932	467136
+180.98372	739782	"Theoretical m/z 180.984503, Mass diff 0 (0 ppm), Formula C12H2Cl"
+181.99158	2960392
+182.99484	582080
+183.98863	664792
+191.95254	463413
+195.90207	515974
+196.90053	1237884
+197.89908	1155779
+198.89745	626518
+215.9527	2484207
+216.96065	2488143	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.94972	1323736
+218.95773	1026709
+219.94688	524760
+227.9294	381561
+250.92168	860071	"Theoretical m/z 250.922208, Mass diff 0 (0 ppm), Formula C12H2Cl3"
+251.92937	11578834
+252.93257	1989226
+253.92639	11297232
+254.92964	1216110
+255.92346	3549350
+256.92673	384236
+257.9205	422028
+263.88754	408944
+285.89041	1803433
+286.89853	2707007	"Theoretical m/z 286.898886, Mass diff 0 (0 ppm), Formula C12H3Cl4"
+287.88751	2580656
+288.89554	3512341
+289.88452	658130
+290.89258	1751022
+291.88159	554055
+292.8895	424499
+321.86694	17859912
+322.87021	1279525
+323.86392	30706872
+324.86725	930191
+325.86093	19753512
+326.8642	1665235
+327.858	6149699
+329.8551	1037769
+356.83582	1109290	"Theoretical m/z 356.836048, Mass diff 0 (0.64 ppm), SMILES *C1=CC(=CC(Cl)=C1Cl)C=2C(Cl)=C(Cl)C=C(Cl)C2Cl, Annotation [C12H4Cl6-H]+, Rule of HR True"
+357.84363	755315
+358.83286	2486036
+360.83002	2171418
+361.83694	707133
+362.82703	994409
+391.8049	14021705	"Theoretical m/z 391.804902, Mass diff 0 (0 ppm), SMILES ClC=1C=C(Cl)C(Cl)=C(C1Cl)C=2C=C(Cl)C(Cl)=C(Cl)C2, Annotation [C12H3Cl7]+, Rule of HR False"
+392.80823	2225136
+393.8017	37165104
+395.79868	35567436
+396.80209	2538994
+397.79565	18712486
+398.79907	1073375
+399.79269	5893396
+400.79611	756458
+401.78964	1083357
+
+
+NAME: cis-Prallethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2097
+PRECURSORMZ: 286.00912
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H24O3
+INCHIKEY: SMKRKQBMYOFFMU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 55
+73.0468	3485
+76.03073	1644	"Theoretical m/z 76.03075, Mass diff 0 (0.27 ppm), SMILES *C(=C(*)CC#C)C, Annotation [C6H8-4H]+, Rule of HR False"
+77.03854	32650	"Theoretical m/z 77.038575, Mass diff 0 (0.46 ppm), SMILES *C(=C(*)CC#C)C, Annotation [C6H8-3H]+, Rule of HR True"
+78.0464	7447	"Theoretical m/z 78.046401, Mass diff 0 (0.01 ppm), SMILES *C(=C(*)CC#C)C, Annotation [C6H8-2H]+, Rule of HR False"
+78.91778	2961
+79.05421	56670	"Theoretical m/z 79.054226, Mass diff 0 (0.2 ppm), SMILES *C(=C(*)CC#C)C, Annotation [C6H8-H]+, Rule of HR True"
+80.05754	4737
+80.91573	2058
+81.06987	117038	"Theoretical m/z 81.069878, Mass diff 0 (-0.09 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07319	7959
+91.05422	23102	"Theoretical m/z 91.054223, Mass diff 0 (0.04 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10-3H]+, Rule of HR True"
+92.06198	2986	"Theoretical m/z 92.062048, Mass diff 0 (0.74 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10-2H]+, Rule of HR False"
+93.06988	14246	"Theoretical m/z 93.069873, Mass diff 0 (0.07 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10-H]+, Rule of HR True"
+94.04131	2323	"Theoretical m/z 94.041313, Mass diff 0 (-0.03 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08552	28791	"Theoretical m/z 95.085524, Mass diff 0 (0.04 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10+H]+, Rule of HR True"
+102.04638	1524	"Theoretical m/z 102.046404, Mass diff 0 (0.23 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-6H]+, Rule of HR False"
+103.05421	25609	"Theoretical m/z 103.054229, Mass diff 0 (0.18 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-5H]+, Rule of HR True"
+104.06206	3414	"Theoretical m/z 104.062054, Mass diff 0 (0.06 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-4H]+, Rule of HR False"
+105.06987	34198	"Theoretical m/z 105.069879, Mass diff 0 (0.08 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-3H]+, Rule of HR True"
+106.07764	5773	"Theoretical m/z 106.077704, Mass diff 0 (0.6 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-2H]+, Rule of HR False"
+107.08547	6811	"Theoretical m/z 107.085529, Mass diff 0 (0.55 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-H]+, Rule of HR True"
+108.09332	1405	"Theoretical m/z 108.09335, Mass diff 0 (0.27 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-4H]+, Rule of HR False"
+109.1012	2065	"Theoretical m/z 109.101175, Mass diff 0 (0.23 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+115.05417	4875	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.08539	3852	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.10109	9429	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+123.11674	131100	"Theoretical m/z 123.116825, Mass diff 0 (0.69 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12013	13878
+125.0961	2212	"Theoretical m/z 125.09609, Mass diff 0 (0.08 ppm), SMILES *OC(C(=C(*)CC#C)C)C*, Annotation [C8H12O+H]+, Rule of HR True"
+128.06197	3102	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+131.08553	2737	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+132.05704	3447	"Theoretical m/z 132.056967, Mass diff 0 (0.55 ppm), SMILES *C1C(=C(C(=O)C1)CC#C)C, Annotation [C9H10O-2H]+, Rule of HR False"
+133.06474	6882	"Theoretical m/z 133.064792, Mass diff 0 (0.39 ppm), SMILES *C1C(=C(C(=O)C1)CC#C)C, Annotation [C9H10O-H]+, Rule of HR True"
+134.07254	7743	"Theoretical m/z 134.072617, Mass diff 0 (0.58 ppm), SMILES *C1C(=C(C(=O)C1)CC#C)C, Annotation [C9H10O]+, Rule of HR False"
+135.08041	1973	"Theoretical m/z 135.080442, Mass diff 0 (0.24 ppm), SMILES *C1C(=C(C(=O)C1)CC#C)C, Annotation [C9H10O+H]+, Rule of HR True"
+141.06972	2602	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+147.06545	2056
+151.024	3887
+152.06171	2474
+153.0033	2716
+153.09091	9960	"Theoretical m/z 153.091001, Mass diff 0 (0.6 ppm), SMILES *C(=O)OC(C(=C(*)CC#C)C)C*, Annotation [C9H12O2+H]+, Rule of HR True"
+155.08537	1426
+168.11444	4821
+183.08006	1611	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+192.98	1683
+193.04964	3039
+208.03142	1634
+209.01143	4096
+221.08415	2379
+265.01968	1850
+281.05096	1431
+361.02612	1588
+401.05399	2560
+415.10605	1637
+549.16034	1658
+
+NAME: trans-Prallethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2102.2
+PRECURSORMZ: 299.06155
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H24O3
+INCHIKEY: SMKRKQBMYOFFMU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 64
+77.03857	29518	"Theoretical m/z 77.038575, Mass diff 0 (0.07 ppm), SMILES *C(=C(*)CC#C)C, Annotation [C6H8-3H]+, Rule of HR True"
+78.04642	7631	"Theoretical m/z 78.046401, Mass diff 0 (0.25 ppm), SMILES *C(=C(*)CC#C)C, Annotation [C6H8-2H]+, Rule of HR False"
+78.91779	1802
+79.05423	56765	"Theoretical m/z 79.054226, Mass diff 0 (0.06 ppm), SMILES *C(=C(*)CC#C)C, Annotation [C6H8-H]+, Rule of HR True"
+81.06989	100583	"Theoretical m/z 81.069878, Mass diff 0 (0.15 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07321	7537
+83.08548	2844	"Theoretical m/z 83.085529, Mass diff 0 (0.59 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12-H]+, Rule of HR True"
+89.03858	1418	"Theoretical m/z 89.038573, Mass diff 0 (0.08 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10-5H]+, Rule of HR True"
+91.05425	21011	"Theoretical m/z 91.054223, Mass diff 0 (0.29 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10-3H]+, Rule of HR True"
+92.06204	1650	"Theoretical m/z 92.062048, Mass diff 0 (0.09 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10-2H]+, Rule of HR False"
+93.06992	10489	"Theoretical m/z 93.069873, Mass diff 0 (0.5 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10-H]+, Rule of HR True"
+93.94123	1736
+95.08554	30522	"Theoretical m/z 95.085524, Mass diff 0 (0.17 ppm), SMILES *C(=C(C)C(*)*)CC#C, Annotation [C7H10+H]+, Rule of HR True"
+96.0933	1893	"Theoretical m/z 96.093352, Mass diff 0 (0.54 ppm), SMILES *C(C=C(C)C)C(*)(*)C, Annotation [C7H14-2H]+, Rule of HR False"
+103.05423	21984	"Theoretical m/z 103.054229, Mass diff 0 (0.01 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-5H]+, Rule of HR True"
+104.06204	3310	"Theoretical m/z 104.062054, Mass diff 0 (0.13 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-4H]+, Rule of HR False"
+105.0699	26431	"Theoretical m/z 105.069879, Mass diff 0 (0.2 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-3H]+, Rule of HR True"
+106.07321	5806
+107.0855	5804	"Theoretical m/z 107.085529, Mass diff 0 (0.27 ppm), SMILES *C(=C(C)C(*)C*)CC#C, Annotation [C8H12-H]+, Rule of HR True"
+108.09332	1848	"Theoretical m/z 108.09335, Mass diff 0 (0.27 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-4H]+, Rule of HR False"
+109.10122	5441	"Theoretical m/z 109.101175, Mass diff 0 (0.42 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+115.05421	1417	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+118.07763	1419
+119.08559	2463	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.10115	10034	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+123.11678	115400	"Theoretical m/z 123.116825, Mass diff 0 (0.36 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12021	14638
+125.05972	2925	"Theoretical m/z 125.059703, Mass diff 0 (0.13 ppm), SMILES *OC1C(=C(C(=O)C1)C*)C, Annotation [C7H10O2-H]+, Rule of HR True"
+125.13243	1409	"Theoretical m/z 125.132475, Mass diff 0 (0.36 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16+H]+, Rule of HR True"
+128.06198	1960	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06984	1221	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.08556	1872	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+132.05708	3865	"Theoretical m/z 132.056967, Mass diff 0 (0.85 ppm), SMILES *C1C(=C(C(=O)C1)CC#C)C, Annotation [C9H10O-2H]+, Rule of HR False"
+133.01358	1281
+133.06479	7864	"Theoretical m/z 133.064792, Mass diff 0 (0.02 ppm), SMILES *C1C(=C(C(=O)C1)CC#C)C, Annotation [C9H10O-H]+, Rule of HR True"
+134.07256	7547	"Theoretical m/z 134.072617, Mass diff 0 (0.43 ppm), SMILES *C1C(=C(C(=O)C1)CC#C)C, Annotation [C9H10O]+, Rule of HR False"
+135.1167	1294	"Theoretical m/z 135.116821, Mass diff 0 (-0.9 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+138.98785	1304
+145.06476	1588	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+149.04478	2719
+150.04439	1243
+151.02402	1378
+151.04156	1492
+153.09096	6850	"Theoretical m/z 153.091001, Mass diff 0 (0.27 ppm), SMILES *C(=O)OC(C(=C(*)CC#C)C)C*, Annotation [C9H12O2+H]+, Rule of HR True"
+154.09404	1629
+155.08533	1206
+167.05531	1414
+168.11443	4174
+173.94962	1526
+194.99611	1534
+211.06036	3222
+221.08429	2537
+227.02205	2978
+229.00137	1221
+239.09489	2157
+281.05093	2444
+283.0304	7340
+295.10284	1200
+299.06155	2721
+327.03543	2045
+341.0874	3375
+360.02823	1600
+387.00201	1986
+490.1243	1179
+
+NAME: cis-Resmethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2394.5
+PRECURSORMZ: 338.18805
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H26O3
+INCHIKEY: VEMKTZHHVJILDY-WOJBJXKFSA-N
+INCHI: 
+SMILES: CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 74
+70.07769	3510	"Theoretical m/z 70.077698, Mass diff 0 (0.12 ppm), SMILES *C(*)C=C(C)C, Annotation [C5H10]+, Rule of HR False"
+71.08552	21197	"Theoretical m/z 71.085524, Mass diff 0 (0.05 ppm), SMILES *C(*)C=C(C)C, Annotation [C5H10+H]+, Rule of HR True"
+73.04678	4767
+77.03856	8628	"Theoretical m/z 77.038578, Mass diff 0 (0.23 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04642	5465	"Theoretical m/z 78.046403, Mass diff 0 (0.22 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05422	23285	"Theoretical m/z 79.054228, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.06203	1944	"Theoretical m/z 80.062054, Mass diff 0 (0.3 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12-4H]+, Rule of HR False"
+80.91578	1887
+81.06989	96153	"Theoretical m/z 81.069878, Mass diff 0 (0.15 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.0732	7502
+83.0855	23717	"Theoretical m/z 83.085529, Mass diff 0 (0.35 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12-H]+, Rule of HR True"
+84.09337	2735	"Theoretical m/z 84.093354, Mass diff 0 (0.19 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12]+, Rule of HR False"
+85.10119	24189	"Theoretical m/z 85.101179, Mass diff 0 (0.13 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12+H]+, Rule of HR True"
+86.10468	2479
+89.03863	2639	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05424	36454	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.06204	4145	"Theoretical m/z 92.062051, Mass diff 0 (0.12 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8]+, Rule of HR False"
+93.06994	8173	"Theoretical m/z 93.069876, Mass diff 0 (0.69 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8+H]+, Rule of HR True"
+95.08553	26969	"Theoretical m/z 95.085527, Mass diff 0 (0.03 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-3H]+, Rule of HR True"
+96.0934	2220	"Theoretical m/z 96.093352, Mass diff 0 (0.5 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-2H]+, Rule of HR False"
+97.10121	4761	"Theoretical m/z 97.101177, Mass diff 0 (0.34 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-H]+, Rule of HR True"
+99.11684	4921	"Theoretical m/z 99.116827, Mass diff 0 (0.13 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14+H]+, Rule of HR True"
+102.0464	3306	"Theoretical m/z 102.046398, Mass diff 0 (0.02 ppm), SMILES *C(*)(*)CC=1C=CC=CC1, Annotation [C8H10-4H]+, Rule of HR False"
+103.05421	3584	"Theoretical m/z 103.054223, Mass diff 0 (0.13 ppm), SMILES *C(*)(*)CC=1C=CC=CC1, Annotation [C8H10-3H]+, Rule of HR True"
+105.06991	6015	"Theoretical m/z 105.069873, Mass diff 0 (0.35 ppm), SMILES *C(*)(*)CC=1C=CC=CC1, Annotation [C8H10-H]+, Rule of HR True"
+107.0855	7005	"Theoretical m/z 107.085527, Mass diff 0 (0.25 ppm), SMILES *C(=CC1C(*)C1(C)C)C, Annotation [C8H14-3H]+, Rule of HR True"
+109.10118	7318	"Theoretical m/z 109.101175, Mass diff 0 (0.05 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+110.10897	6989
+111.11683	5002	"Theoretical m/z 111.116825, Mass diff 0 (0.05 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-H]+, Rule of HR True"
+113.13242	3659	"Theoretical m/z 113.132475, Mass diff 0 (0.48 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16+H]+, Rule of HR True"
+115.05422	47963	"Theoretical m/z 115.054223, Mass diff 0 (0.03 ppm), SMILES *C=C(*)CC=1C=CC=CC1, Annotation [C9H10-3H]+, Rule of HR True"
+116.05765	8746
+117.06983	8991	"Theoretical m/z 117.069873, Mass diff 0 (0.37 ppm), SMILES *C=C(*)CC=1C=CC=CC1, Annotation [C9H10-H]+, Rule of HR True"
+118.07777	2249
+121.06471	8312	"Theoretical m/z 121.064792, Mass diff 0 (0.68 ppm), SMILES *OC(*)(*)CC=1C=CC=CC1, Annotation [C8H10O-H]+, Rule of HR True"
+123.11678	83964	"Theoretical m/z 123.116825, Mass diff 0 (0.36 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12018	9484
+125.13243	2098	"Theoretical m/z 125.132475, Mass diff 0 (0.36 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16+H]+, Rule of HR True"
+127.05419	4706	"Theoretical m/z 127.054229, Mass diff 0 (0.31 ppm), SMILES *C(=CC(*)(*)*)CC=1C=CC=CC1, Annotation [C10H12-5H]+, Rule of HR True"
+127.14809	2727	"Theoretical m/z 127.148676, Mass diff 0 (0 ppm), Formula C9H19"
+128.06203	177502	"Theoretical m/z 128.062054, Mass diff 0 (0.19 ppm), SMILES *C(=CC(*)(*)*)CC=1C=CC=CC1, Annotation [C10H12-4H]+, Rule of HR False"
+129.06982	31044	"Theoretical m/z 129.069879, Mass diff 0 (0.46 ppm), SMILES *C(=CC(*)(*)*)CC=1C=CC=CC1, Annotation [C10H12-3H]+, Rule of HR True"
+130.07781	2865
+139.05428	4981	"Theoretical m/z 139.054229, Mass diff 0 (0.37 ppm), SMILES *C=C(*)C=C(*)CC=1C=CC=CC1, Annotation [C11H12-5H]+, Rule of HR True"
+141.06978	38413	"Theoretical m/z 141.069879, Mass diff 0 (0.7 ppm), SMILES *C=C(*)C=C(*)CC=1C=CC=CC1, Annotation [C11H12-3H]+, Rule of HR True"
+142.07774	12383
+143.08548	134305	"Theoretical m/z 143.085529, Mass diff 0 (0.34 ppm), SMILES *C=C(*)C=C(*)CC=1C=CC=CC1, Annotation [C11H12-H]+, Rule of HR True"
+144.08881	15731
+145.0648	6924	"Theoretical m/z 145.064798, Mass diff 0 (0.02 ppm), SMILES *C=C(OC(*)*)CC=1C=CC=CC1, Annotation [C10H12O-3H]+, Rule of HR True"
+146.07256	2016	"Theoretical m/z 146.072623, Mass diff 0 (0.43 ppm), SMILES *C=C(OC(*)*)CC=1C=CC=CC1, Annotation [C10H12O-2H]+, Rule of HR False"
+151.02396	2692
+152.06186	2647
+153.06976	4249	"Theoretical m/z 153.069869, Mass diff 0 (0.71 ppm), SMILES *C=C(C=C(*)CC=1C=CC=CC1)C*, Annotation [C12H14-5H]+, Rule of HR True"
+155.06021	13523
+157.06473	5177	"Theoretical m/z 157.064792, Mass diff 0 (0.4 ppm), SMILES *C1=COC(=C1)CC=2C=CC=CC2, Annotation [C11H10O-H]+, Rule of HR True"
+165.06975	1897	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07332	3661
+170.07254	5459
+171.08034	39488	"Theoretical m/z 171.080448, Mass diff 0 (0.63 ppm), SMILES *CC1=COC(=C1)CC=2C=CC=CC2, Annotation [C12H12O-H]+, Rule of HR True"
+172.08814	23004
+184.0881	2283
+191.00064	5279
+207.03218	3478
+210.01092	2131
+223.06355	3839
+239.09477	5068
+268.97839	1807
+279.17487	3177	"Theoretical m/z 279.17489, Mass diff -0.001 (0 ppm), Formula C20H23O"
+281.05112	4049
+285.0094	2923
+285.07959	2107
+299.06152	4915
+355.06982	4485
+359.02862	3360
+
+NAME: trans-Resmethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2407.6
+PRECURSORMZ: 326.96612
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H26O3
+INCHIKEY: VEMKTZHHVJILDY-VQTJNVASSA-N
+INCHI: 
+SMILES: CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 59
+76.03077	6235	"Theoretical m/z 76.030753, Mass diff 0 (0.23 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.0386	12240	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04644	15050	"Theoretical m/z 78.046403, Mass diff 0 (0.48 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05426	82590	"Theoretical m/z 79.054228, Mass diff 0 (0.41 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.05761	11321
+81.06992	335579	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07323	21731
+83.04916	29385	"Theoretical m/z 83.049139, Mass diff 0 (0.25 ppm), SMILES *C1=COC(=C1)C*, Annotation [C5H6O+H]+, Rule of HR True"
+89.03862	15634	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05428	124019	"Theoretical m/z 91.054226, Mass diff 0 (0.6 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.06211	14026	"Theoretical m/z 92.062051, Mass diff 0 (0.65 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8]+, Rule of HR False"
+93.06996	23327	"Theoretical m/z 93.069876, Mass diff 0 (0.91 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8+H]+, Rule of HR True"
+94.04138	10329	"Theoretical m/z 94.041313, Mass diff 0 (0.71 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08557	69865	"Theoretical m/z 95.085527, Mass diff 0 (0.45 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-3H]+, Rule of HR True"
+102.04643	12473	"Theoretical m/z 102.046398, Mass diff 0 (0.31 ppm), SMILES *C(*)(*)CC=1C=CC=CC1, Annotation [C8H10-4H]+, Rule of HR False"
+103.05426	8861	"Theoretical m/z 103.054223, Mass diff 0 (0.36 ppm), SMILES *C(*)(*)CC=1C=CC=CC1, Annotation [C8H10-3H]+, Rule of HR True"
+104.06209	7170	"Theoretical m/z 104.062048, Mass diff 0 (0.4 ppm), SMILES *C(*)(*)CC=1C=CC=CC1, Annotation [C8H10-2H]+, Rule of HR False"
+105.06993	16792	"Theoretical m/z 105.069873, Mass diff 0 (0.54 ppm), SMILES *C(*)(*)CC=1C=CC=CC1, Annotation [C8H10-H]+, Rule of HR True"
+107.08557	19992	"Theoretical m/z 107.085527, Mass diff 0 (0.4 ppm), SMILES *C(=CC1C(*)C1(C)C)C, Annotation [C8H14-3H]+, Rule of HR True"
+109.10123	7041	"Theoretical m/z 109.101175, Mass diff 0 (0.51 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+110.10907	13938
+115.05426	157655	"Theoretical m/z 115.054223, Mass diff 0 (0.32 ppm), SMILES *C=C(*)CC=1C=CC=CC1, Annotation [C9H10-3H]+, Rule of HR True"
+116.05762	25247
+117.06988	27691	"Theoretical m/z 117.069873, Mass diff 0 (0.06 ppm), SMILES *C=C(*)CC=1C=CC=CC1, Annotation [C9H10-H]+, Rule of HR True"
+119.08554	11783	"Theoretical m/z 119.085524, Mass diff 0 (0.14 ppm), SMILES *C=C(*)CC=1C=CC=CC1, Annotation [C9H10+H]+, Rule of HR True"
+121.06481	8628	"Theoretical m/z 121.064792, Mass diff 0 (0.15 ppm), SMILES *OC(*)(*)CC=1C=CC=CC1, Annotation [C8H10O-H]+, Rule of HR True"
+121.10121	29752	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+123.11682	327467	"Theoretical m/z 123.116825, Mass diff 0 (0.04 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12019	31329
+126.0463	7522
+127.05415	17997	"Theoretical m/z 127.054229, Mass diff 0 (0.62 ppm), SMILES *C(=CC(*)(*)*)CC=1C=CC=CC1, Annotation [C10H12-5H]+, Rule of HR True"
+128.06206	570465	"Theoretical m/z 128.062054, Mass diff 0 (0.05 ppm), SMILES *C(=CC(*)(*)*)CC=1C=CC=CC1, Annotation [C10H12-4H]+, Rule of HR False"
+129.06545	101824
+139.05429	12926	"Theoretical m/z 139.054229, Mass diff 0 (0.44 ppm), SMILES *C=C(*)C=C(*)CC=1C=CC=CC1, Annotation [C11H12-5H]+, Rule of HR True"
+141.06987	120877	"Theoretical m/z 141.069879, Mass diff 0 (0.06 ppm), SMILES *C=C(*)C=C(*)CC=1C=CC=CC1, Annotation [C11H12-3H]+, Rule of HR True"
+142.07777	39941
+143.08553	382121	"Theoretical m/z 143.085529, Mass diff 0 (0.01 ppm), SMILES *C=C(*)C=C(*)CC=1C=CC=CC1, Annotation [C11H12-H]+, Rule of HR True"
+144.08888	54648
+145.06479	32280	"Theoretical m/z 145.064798, Mass diff 0 (0.05 ppm), SMILES *C=C(OC(*)*)CC=1C=CC=CC1, Annotation [C10H12O-3H]+, Rule of HR True"
+146.07268	5936	"Theoretical m/z 146.072623, Mass diff 0 (0.39 ppm), SMILES *C=C(OC(*)*)CC=1C=CC=CC1, Annotation [C10H12O-2H]+, Rule of HR False"
+147.06563	14518
+147.08026	8246	"Theoretical m/z 147.080448, Mass diff 0 (1.28 ppm), SMILES *C=C(OC(*)*)CC=1C=CC=CC1, Annotation [C10H12O-H]+, Rule of HR True"
+149.04482	6220
+151.11166	5992	"Theoretical m/z 151.111744, Mass diff 0 (0.55 ppm), SMILES *C(=O)C1C(C=C(C)C)C1(C)C, Annotation [C10H16O-H]+, Rule of HR True"
+152.062	14102
+153.06979	5850	"Theoretical m/z 153.069869, Mass diff 0 (0.52 ppm), SMILES *C=C(C=C(*)CC=1C=CC=CC1)C*, Annotation [C12H14-5H]+, Rule of HR True"
+155.06035	34942
+157.06483	17003	"Theoretical m/z 157.064792, Mass diff 0 (0.24 ppm), SMILES *C1=COC(=C1)CC=2C=CC=CC2, Annotation [C11H10O-H]+, Rule of HR True"
+161.05974	5743	"Theoretical m/z 161.059712, Mass diff 0 (0.17 ppm), SMILES *C=C(*)COC(=O)C(*)C(*)C=C(C)C, Annotation [C10H16O2-7H]+, Rule of HR True"
+166.09874	14167	"Theoretical m/z 166.098837, Mass diff 0 (0.59 ppm), SMILES *OC(=O)C1C(C=C(C)C)C1(C)C, Annotation [C10H16O2-2H]+, Rule of HR False"
+170.07251	10417
+171.08035	112530	"Theoretical m/z 171.080448, Mass diff 0 (0.57 ppm), SMILES *CC1=COC(=C1)CC=2C=CC=CC2, Annotation [C12H12O-H]+, Rule of HR True"
+172.08826	62862
+203.14313	10474	"Theoretical m/z 203.14359, Mass diff 0 (0 ppm), Formula C14H19O"
+207.03226	8127
+239.09486	13133
+279.17438	14067	"Theoretical m/z 279.17489, Mass diff 0 (0 ppm), Formula C20H23O"
+285.00973	6077
+323.16406	7549	"Theoretical m/z 323.164173, Mass diff 0 (0.35 ppm), SMILES *C(=CC1C(C(=O)OCC2=COC(=C2)CC=3C=CC=CC3)C1(C)C)C, Annotation [C21H24O3-H]+, Rule of HR True"
+
+NAME: cis-Tetramethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2448.8
+PRECURSORMZ: 327.03519
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H25NO4
+INCHIKEY: CXBMCYHAMVGWJQ-HUUCEWRRSA-N
+INCHI: 
+SMILES: CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 41
+70.07772	3204	"Theoretical m/z 70.077698, Mass diff 0 (0.31 ppm), SMILES *C(*)C=C(C)C, Annotation [C5H10]+, Rule of HR False"
+77.03857	16516	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.91779	3265
+79.05423	3114	"Theoretical m/z 79.054223, Mass diff 0 (0.08 ppm), SMILES *C1=C(*)CCCC1, Annotation [C6H10-3H]+, Rule of HR True"
+80.06206	11895	"Theoretical m/z 80.062048, Mass diff 0 (0.14 ppm), SMILES *C1=C(*)CCCC1, Annotation [C6H10-2H]+, Rule of HR False"
+80.91577	6056
+82.07771	7123	"Theoretical m/z 82.077698, Mass diff 0 (0.14 ppm), SMILES *C1=C(*)CCCC1, Annotation [C6H10]+, Rule of HR False"
+83.08552	6697	"Theoretical m/z 83.085524, Mass diff 0 (0.04 ppm), SMILES *C1=C(*)CCCC1, Annotation [C6H10+H]+, Rule of HR True"
+91.05425	15744	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06992	14017	"Theoretical m/z 93.069877, Mass diff 0 (0.46 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-5H]+, Rule of HR True"
+93.94128	3024
+95.08553	9494	"Theoretical m/z 95.085527, Mass diff 0 (0.03 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-3H]+, Rule of HR True"
+105.06993	12040	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.04131	2863	"Theoretical m/z 106.041317, Mass diff 0 (0.07 ppm), SMILES *C(=O)C1=C(*)CCCC1, Annotation [C7H10O-4H]+, Rule of HR False"
+107.04915	18566	"Theoretical m/z 107.049141, Mass diff 0 (0.08 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05692	11930	"Theoretical m/z 108.056967, Mass diff 0 (0.44 ppm), SMILES *C(=O)C1=C(*)CCCC1, Annotation [C7H10O-2H]+, Rule of HR False"
+109.10126	5001	"Theoretical m/z 109.101175, Mass diff 0 (0.78 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+121.06472	7453	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.1168	10641	"Theoretical m/z 123.116825, Mass diff 0 (0.2 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+128.06204	3733	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+135.04404	32272	"Theoretical m/z 135.044061, Mass diff 0 (0.16 ppm), SMILES *C(=O)C1=C(C(*)=O)CCCC1, Annotation [C8H10O2-3H]+, Rule of HR True"
+153.06984	2976	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+155.08527	4164	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+164.07051	278034	"Theoretical m/z 164.070606, Mass diff 0 (0.58 ppm), SMILES *CN1C(=O)C2=C(C1=O)CCCC2, Annotation [C9H11NO2-H]+, Rule of HR True"
+165.07387	29044
+167.05531	3470
+183.08028	15423	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+211.00819	4021
+211.06033	5791
+225.04283	13760
+225.11238	4767	"Theoretical m/z 225.112684, Mass diff 0 (0 ppm), Formula C12H17O4"
+226.04178	4429
+227.0221	5511
+229.00142	4649
+239.09482	2864
+265.01965	3277
+266.99908	6288
+281.05106	3075
+282.05084	3896	"Theoretical m/z 282.055503, Mass diff 0.004 (0 ppm), Formula C19H8NO2"
+359.02835	3395
+360.02795	3051
+
+NAME: trans-Tetramethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2468
+PRECURSORMZ: 327.03525
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H25NO4
+INCHIKEY: CXBMCYHAMVGWJQ-CABCVRRESA-N
+INCHI: 
+SMILES: CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 22
+77.0386	85960	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05426	185780	"Theoretical m/z 79.054223, Mass diff 0 (0.46 ppm), SMILES *C1=C(*)CCCC1, Annotation [C6H10-3H]+, Rule of HR True"
+80.06209	39322	"Theoretical m/z 80.062048, Mass diff 0 (0.52 ppm), SMILES *C1=C(*)CCCC1, Annotation [C6H10-2H]+, Rule of HR False"
+81.06992	238572	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07327	18511
+91.05428	70720	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06995	81922	"Theoretical m/z 93.069877, Mass diff 0 (0.79 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-5H]+, Rule of HR True"
+94.04137	19517	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08556	74522	"Theoretical m/z 95.085527, Mass diff 0 (0.35 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-3H]+, Rule of HR True"
+105.06994	26822	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04917	218032	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05698	47704	"Theoretical m/z 108.056967, Mass diff 0 (0.12 ppm), SMILES *C(=O)C1=C(*)CCCC1, Annotation [C7H10O-2H]+, Rule of HR False"
+120.0808	17837	"Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N"
+121.10122	38092	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+123.11681	214163	"Theoretical m/z 123.116825, Mass diff 0 (0.12 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12022	18323
+135.04407	149140	"Theoretical m/z 135.044061, Mass diff 0 (0.07 ppm), SMILES *C(=O)C1=C(C(*)=O)CCCC1, Annotation [C8H10O2-3H]+, Rule of HR True"
+136.0394	27262	"Theoretical m/z 136.0393, Mass diff 0 (0.73 ppm), SMILES *C=1C(=O)N(*)C(=O)C1CCC*, Annotation [C7H9NO2-3H]+, Rule of HR True"
+164.07054	1199881	"Theoretical m/z 164.070606, Mass diff 0 (0.4 ppm), SMILES *CN1C(=O)C2=C(C1=O)CCCC2, Annotation [C9H11NO2-H]+, Rule of HR True"
+165.07394	163046
+167.0855	14565	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+182.10455	14693
+
+NAME: Bifenthrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2464.2
+PRECURSORMZ: 355.06982
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C23H22ClF3O2
+INCHIKEY: OMFRMAHOUUJSGP-IRHGGOMRSA-N
+INCHI: 
+SMILES: CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](\C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 21
+77.03857	56682	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+91.05428	100368	"Theoretical m/z 91.054226, Mass diff 0 (0.6 ppm), SMILES *C1=CC=CC(*)=C1C, Annotation [C7H8-H]+, Rule of HR True"
+115.05423	122107	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+127.03537	55190	"Theoretical m/z 127.035932, Mass diff 0 (0 ppm), Formula C7H5F2"
+139.05417	57087	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.05103	322726	"Theoretical m/z 141.051582, Mass diff 0 (0 ppm), Formula C8H7F2"
+152.062	292204
+153.06981	394468	"Theoretical m/z 153.069873, Mass diff 0 (0.41 ppm), SMILES *C1=CC=CC(C=2C=CC=CC2)=C1*, Annotation [C12H10-H]+, Rule of HR True"
+154.07318	73353
+164.062	117682
+165.06984	3238298	"Theoretical m/z 165.069879, Mass diff 0 (0.24 ppm), SMILES *C1=C(C=CC=C1C*)C=2C=CC=CC2, Annotation [C13H12-3H]+, Rule of HR True"
+166.07752	3989494	"Theoretical m/z 166.077704, Mass diff 0 (1.11 ppm), SMILES *C1=CC=CC(C=2C=CC=CC2)=C1C, Annotation [C13H12-2H]+, Rule of HR False"
+167.08099	657728
+168.08434	59478
+176.06198	72465	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+178.07765	460872	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08542	552822	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.0932	388519
+181.10103	5209914	"Theoretical m/z 181.101169, Mass diff 0 (0.77 ppm), SMILES *CC1=CC=CC(C=2C=CC=CC2)=C1C, Annotation [C14H14-H]+, Rule of HR True"
+182.10442	725352
+183.10777	59089
+
+NAME: Fenpropathrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2481.2
+PRECURSORMZ: 349.16678
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H23NO3
+INCHIKEY: XQUXKZZNEFRCAW-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 69
+75.02606	21733
+76.03074	29588	"Theoretical m/z 76.030753, Mass diff 0 (0.17 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03857	105064	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04642	27807	"Theoretical m/z 78.046403, Mass diff 0 (0.22 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05424	69907	"Theoretical m/z 79.054228, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+81.06988	63172	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.04913	171589	"Theoretical m/z 83.049142, Mass diff 0 (0.15 ppm), SMILES *C(=O)C(*)C(*)(C)C, Annotation [C5H10O-3H]+, Rule of HR True"
+84.09336	60414	"Theoretical m/z 84.093352, Mass diff 0 (0.1 ppm), SMILES *C(C)(C)C(*)(C)C, Annotation [C6H14-2H]+, Rule of HR False"
+88.03075	28879	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03857	32140	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05426	46676	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06992	20062	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04134	21484	"Theoretical m/z 94.041313, Mass diff 0 (0.29 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08555	196618	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.1012	651080	"Theoretical m/z 97.101177, Mass diff 0 (0.24 ppm), SMILES *C1C(C)(C)C1(C)C, Annotation [C7H14-H]+, Rule of HR True"
+98.10455	46424
+103.04164	30056	"Theoretical m/z 103.042199, Mass diff 0 (0 ppm), Formula C7H5N"
+109.06481	20103	"Theoretical m/z 109.06479, Mass diff 0 (0.18 ppm), SMILES *C(=O)C1C(*)(C)C1(C)C, Annotation [C7H12O-3H]+, Rule of HR True"
+114.03384	84286	"Theoretical m/z 114.033822, Mass diff 0 (0.15 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05422	147127	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04945	105405	"Theoretical m/z 116.049472, Mass diff 0 (0.19 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+123.0804	87746	"Theoretical m/z 123.08099, Mass diff 0 (0 ppm), Formula C8H11O"
+125.09609	349595	"Theoretical m/z 125.096088, Mass diff 0 (0.02 ppm), SMILES *C(=O)C1C(C)(C)C1(C)C, Annotation [C8H14O-H]+, Rule of HR True"
+126.0994	27717
+127.05423	26839	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+139.0542	55523	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+140.04935	33649	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+141.06982	234500	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07312	31073
+151.02402	50197
+152.06195	372541
+153.06973	218476	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07329	44228
+155.0603	40137
+165.06982	21401	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.05533	74360
+168.05702	57491
+169.06464	131102	"Theoretical m/z 169.064792, Mass diff 0 (0.9 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+170.06793	20079
+177.0573	21624	"Theoretical m/z 177.055169, Mass diff -0.003 (0 ppm), Formula C10H9O3"
+178.06494	48570	"Theoretical m/z 178.062994, Mass diff -0.002 (0 ppm), Formula C10H10O3"
+179.06027	46954
+180.08066	340758	"Theoretical m/z 180.08078, Mass diff 0 (-0.67 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06464	1984242	"Theoretical m/z 181.064798, Mass diff 0 (0.87 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06801	282913
+183.08025	39950	"Theoretical m/z 183.080448, Mass diff 0 (1.08 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+190.06497	31057	"Theoretical m/z 190.062994, Mass diff -0.003 (0 ppm), Formula C11H10O3"
+197.05971	37224	"Theoretical m/z 197.059701, Mass diff 0 (0.04 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.06734	23097	"Theoretical m/z 198.067526, Mass diff 0 (0.94 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-2H]+, Rule of HR False"
+206.05997	122488	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.03224	40348
+207.06775	61437
+208.07568	119643	"Theoretical m/z 208.075687, Mass diff 0 (0.03 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO-H]+, Rule of HR True"
+209.08347	322968
+210.06744	257220	"Theoretical m/z 210.067532, Mass diff 0 (0.44 ppm), SMILES *OC(C=1C=CC=C(OC=2C=CC=CC2)C1)C(*)(*)*, Annotation [C14H14O2-4H]+, Rule of HR False"
+211.06042	41834
+219.0679	42983
+225.04282	93236
+227.02205	36968
+239.09485	76553
+247.09908	23685
+265.0733	507390
+266.07654	85455
+290.15393	29532	"Theoretical m/z 290.154489, Mass diff 0 (0 ppm), Formula C20H20NO"
+299.06155	100278
+304.16953	40606	"Theoretical m/z 304.170139, Mass diff 0 (0 ppm), Formula C21H22NO"
+334.14356	86672	"Theoretical m/z 334.143757, Mass diff 0 (0.59 ppm), SMILES *C1(C)C(C(=O)OC(C#N)C=2C=CC=C(OC=3C=CC=CC3)C2)C1(C)C, Annotation [C21H21NO3-H]+, Rule of HR True"
+349.16678	32043	"Theoretical m/z 349.167237, Mass diff 0 (1.31 ppm), SMILES N#CC(OC(=O)C1C(C)(C)C1(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2, Annotation [C22H23NO3]+, Rule of HR False"
+359.02826	32863
+
+NAME: cis-Phenothrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2517.1
+PRECURSORMZ: 344.97644
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C23H26O3
+INCHIKEY: SBNFWQZLDJGRLK-SFTDATJTSA-N
+INCHI: 
+SMILES: CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 62
+71.08557	2068	"Theoretical m/z 71.085524, Mass diff 0 (0.65 ppm), SMILES *C(*)C=C(C)C, Annotation [C5H10+H]+, Rule of HR True"
+73.04684	3255
+74.01511	2771	"Theoretical m/z 74.015103, Mass diff 0 (0.1 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+77.03858	17028	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04645	6383	"Theoretical m/z 78.046403, Mass diff 0 (0.61 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05424	34612	"Theoretical m/z 79.054228, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.06201	2646	"Theoretical m/z 80.062054, Mass diff 0 (0.55 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12-4H]+, Rule of HR False"
+81.06992	139601	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07329	10900
+83.08548	4451	"Theoretical m/z 83.085529, Mass diff 0 (0.59 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12-H]+, Rule of HR True"
+85.10121	3210	"Theoretical m/z 85.101179, Mass diff 0 (0.36 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12+H]+, Rule of HR True"
+89.03856	20323	"Theoretical m/z 89.038575, Mass diff 0 (0.17 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-3H]+, Rule of HR True"
+90.04649	3300	"Theoretical m/z 90.046401, Mass diff 0 (0.99 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-2H]+, Rule of HR False"
+91.05427	21053	"Theoretical m/z 91.054226, Mass diff 0 (0.49 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-H]+, Rule of HR True"
+93.06995	12634	"Theoretical m/z 93.069876, Mass diff 0 (0.8 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8+H]+, Rule of HR True"
+94.04136	2226	"Theoretical m/z 94.041313, Mass diff 0 (0.5 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08556	28649	"Theoretical m/z 95.085527, Mass diff 0 (0.35 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-3H]+, Rule of HR True"
+97.10124	3940	"Theoretical m/z 97.101177, Mass diff 0 (0.65 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-H]+, Rule of HR True"
+105.06994	10218	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.08556	8615	"Theoretical m/z 107.085527, Mass diff 0 (0.31 ppm), SMILES *C(=CC1C(*)C1(C)C)C, Annotation [C8H14-3H]+, Rule of HR True"
+109.10121	5332	"Theoretical m/z 109.101175, Mass diff 0 (0.32 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+115.05421	24369	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.062	4087	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06989	2007	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+121.06476	16522	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.1168	159763	"Theoretical m/z 123.116825, Mass diff 0 (0.2 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12017	20311
+127.05409	2537	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06204	13877	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06984	9809	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.08556	2872	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+139.05412	6769	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06985	13690	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07776	3222
+145.06485	3199	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+147.06561	2715
+152.06195	14319
+153.06979	47488	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07768	19145
+155.08546	29344	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.08885	7023
+164.06192	2460
+165.06982	39600	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07314	7208
+168.05693	45313
+169.06473	11368	"Theoretical m/z 169.064792, Mass diff 0 (0.37 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+181.06467	22646	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+182.07252	15465	"Theoretical m/z 182.072623, Mass diff 0 (0.56 ppm), SMILES *CC=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-2H]+, Rule of HR False"
+183.08037	191193	"Theoretical m/z 183.080448, Mass diff 0 (0.42 ppm), SMILES *CC=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+184.08824	50440
+185.09148	5285
+191.00078	2084
+193.04996	3269
+197.05969	2005	"Theoretical m/z 197.060255, Mass diff 0 (0 ppm), Formula C13H9O2"
+207.03229	4256
+226.04187	8326
+235.11165	2640	"Theoretical m/z 235.11229, Mass diff 0 (0 ppm), Formula C17H15O"
+252.07819	2175
+266.99912	2135
+281.05112	2430
+299.06162	2428
+355.0697	6142
+
+NAME: trans-Phenothrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2532.4
+PRECURSORMZ: 344.97592
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C23H26O3
+INCHIKEY: SBNFWQZLDJGRLK-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 55
+73.04681	13420
+77.03858	52518	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04643	28011	"Theoretical m/z 78.046403, Mass diff 0 (0.35 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05424	189951	"Theoretical m/z 79.054228, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.05762	13406
+81.0699	671296	"Theoretical m/z 81.069878, Mass diff 0 (0.28 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07324	50495
+89.03859	85456	"Theoretical m/z 89.038575, Mass diff 0 (0.16 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-3H]+, Rule of HR True"
+90.04642	15755	"Theoretical m/z 90.046401, Mass diff 0 (0.22 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-2H]+, Rule of HR False"
+91.05425	99517	"Theoretical m/z 91.054226, Mass diff 0 (0.27 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-H]+, Rule of HR True"
+92.06212	10222	"Theoretical m/z 92.062051, Mass diff 0 (0.75 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8]+, Rule of HR False"
+93.06994	30829	"Theoretical m/z 93.069876, Mass diff 0 (0.69 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8+H]+, Rule of HR True"
+95.08554	142619	"Theoretical m/z 95.085527, Mass diff 0 (0.14 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-3H]+, Rule of HR True"
+97.10126	8682	"Theoretical m/z 97.101177, Mass diff 0 (0.86 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-H]+, Rule of HR True"
+103.05421	10791	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06992	48131	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.08554	43491	"Theoretical m/z 107.085527, Mass diff 0 (0.12 ppm), SMILES *C(=CC1C(*)C1(C)C)C, Annotation [C8H14-3H]+, Rule of HR True"
+109.1012	17047	"Theoretical m/z 109.101175, Mass diff 0 (0.23 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+115.05424	89082	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.05759	19074
+121.10118	71248	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+122.10449	9420
+123.1168	858460	"Theoretical m/z 123.116825, Mass diff 0 (0.2 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12022	93773
+127.05424	11767	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06203	76050	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06982	53668	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+139.05417	29552	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06985	61809	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07764	15454
+145.06483	15527	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+149.04478	19722
+152.06195	54945
+153.06978	212194	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07761	86475
+155.08539	129738	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.09328	29425
+157.10109	10623	"Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13"
+164.06201	17449
+165.06981	177375	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07312	30136
+168.0569	209911
+169.06468	60402	"Theoretical m/z 169.064792, Mass diff 0 (0.66 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+181.06467	122415	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+182.0726	53973	"Theoretical m/z 182.072623, Mass diff 0 (0.12 ppm), SMILES *CC=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-2H]+, Rule of HR False"
+183.08034	808940	"Theoretical m/z 183.080448, Mass diff 0 (0.59 ppm), SMILES *CC=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+184.08366	223484
+185.09157	14542
+193.07591	14464
+197.05942	16694	"Theoretical m/z 197.060255, Mass diff 0 (0 ppm), Formula C13H9O2"
+198.06747	8806	"Theoretical m/z 198.067526, Mass diff 0 (0.28 ppm), SMILES *OCC=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-2H]+, Rule of HR False"
+209.01154	9507
+225.04285	10057
+227.02208	10678
+252.07805	12081
+
+NAME: cis-Cyphenothrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2652.8
+PRECURSORMZ: 375.18237
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C24H25NO3
+INCHIKEY: FJDPATXIBIBRIM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 69
+76.0308	4979	"Theoretical m/z 76.030753, Mass diff 0 (0.62 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03858	42402	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04642	8623	"Theoretical m/z 78.046403, Mass diff 0 (0.22 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05424	98211	"Theoretical m/z 79.054228, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.0576	11842
+81.0699	373502	"Theoretical m/z 81.069878, Mass diff 0 (0.28 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07323	20638
+83.04915	9802	"Theoretical m/z 83.049142, Mass diff 0 (0.09 ppm), SMILES *C(=O)C(*)C(*)(C)C, Annotation [C5H10O-3H]+, Rule of HR True"
+88.03082	3963	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03857	5668	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05426	45265	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06207	4737	"Theoretical m/z 92.062052, Mass diff 0 (0.2 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-6H]+, Rule of HR False"
+93.06992	40490	"Theoretical m/z 93.069877, Mass diff 0 (0.46 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-5H]+, Rule of HR True"
+94.04136	6308	"Theoretical m/z 94.041313, Mass diff 0 (0.5 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08556	86727	"Theoretical m/z 95.085527, Mass diff 0 (0.35 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-3H]+, Rule of HR True"
+96.08891	8937
+97.06485	11502	"Theoretical m/z 97.064789, Mass diff 0 (0.63 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+97.10121	13769	"Theoretical m/z 97.101177, Mass diff 0 (0.34 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-H]+, Rule of HR True"
+103.05417	4774	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06989	23485	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.08554	19232	"Theoretical m/z 107.085527, Mass diff 0 (0.12 ppm), SMILES *C(=CC1C(*)C1(C)C)C, Annotation [C8H14-3H]+, Rule of HR True"
+109.10122	12700	"Theoretical m/z 109.101175, Mass diff 0 (0.42 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+111.04412	4320	"Theoretical m/z 111.044053, Mass diff 0 (0.6 ppm), SMILES *OC(=O)C1C(*)C1(C)C, Annotation [C6H10O2-3H]+, Rule of HR True"
+114.03388	14935	"Theoretical m/z 114.033822, Mass diff 0 (0.51 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05422	30482	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04941	10578	"Theoretical m/z 116.049472, Mass diff 0 (0.54 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+119.08559	5121	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.10117	99111	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+122.10449	10491
+123.11679	378371	"Theoretical m/z 123.116825, Mass diff 0 (0.28 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12021	39539
+126.04621	3840
+139.05421	13615	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.11174	22582	"Theoretical m/z 139.111738, Mass diff 0 (0.01 ppm), SMILES *C(=CC1C(C(*)=O)C1(C)C)C, Annotation [C9H14O+H]+, Rule of HR True"
+140.04938	5227	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+141.06981	30149	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07314	6038
+149.09592	5489	"Theoretical m/z 149.09664, Mass diff 0 (0 ppm), Formula C10H13O"
+151.02406	13523
+152.06197	84833
+153.06972	47916	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07307	9579
+155.06023	7438
+155.0854	7302	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+165.06978	4995	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.05531	23188
+167.10655	23884	"Theoretical m/z 167.106662, Mass diff 0 (0.67 ppm), SMILES *OC(=O)C1C(C=C(C)C)C1(C)C, Annotation [C10H16O2-H]+, Rule of HR True"
+168.05695	20042
+169.0647	25870	"Theoretical m/z 169.064792, Mass diff 0 (0.55 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+170.06805	3908
+177.05734	4641	"Theoretical m/z 177.055169, Mass diff -0.003 (0 ppm), Formula C10H9O3"
+178.07764	9313	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.0603	5629
+180.08072	42508	"Theoretical m/z 180.08078, Mass diff 0 (-0.33 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06468	253709	"Theoretical m/z 181.064798, Mass diff 0 (0.65 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06807	37325
+190.06493	6970	"Theoretical m/z 190.062994, Mass diff -0.002 (0 ppm), Formula C11H10O3"
+197.05975	11441	"Theoretical m/z 197.059701, Mass diff 0 (0.25 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.06735	4936	"Theoretical m/z 198.067526, Mass diff 0 (0.89 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-2H]+, Rule of HR False"
+206.06003	26244	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.03218	16884
+207.06807	15919
+208.03154	8365
+209.08353	41255
+210.08673	6747
+211.0605	5062
+226.04187	4267
+252.07782	10732	"Theoretical m/z 252.078106, Mass diff 0 (1.14 ppm), SMILES *C(*)C(=O)OC(C=1C=CC=C(OC=2C=CC=CC2)C1)C(*)(*)*, Annotation [C16H16O3-4H]+, Rule of HR False"
+299.06155	4258
+
+NAME: trans-Cyphenothrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2656.7
+PRECURSORMZ: 365.31995
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C24H25NO3
+INCHIKEY: FJDPATXIBIBRIM-QFMSAKRMSA-N
+INCHI: 
+SMILES: CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 64
+75.02611	4378
+77.03859	35509	"Theoretical m/z 77.038578, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04643	4554	"Theoretical m/z 78.046403, Mass diff 0 (0.35 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05425	78019	"Theoretical m/z 79.054228, Mass diff 0 (0.28 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.05759	7270
+81.06992	305071	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07324	21961
+83.08556	8374	"Theoretical m/z 83.085529, Mass diff 0 (0.37 ppm), SMILES *C(*)C(*)C=C(C)C, Annotation [C6H12-H]+, Rule of HR True"
+87.04401	3452	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+88.03074	5432	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+91.05428	38140	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06995	32349	"Theoretical m/z 93.069877, Mass diff 0 (0.79 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-5H]+, Rule of HR True"
+94.04137	4757	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08556	70935	"Theoretical m/z 95.085527, Mass diff 0 (0.35 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-3H]+, Rule of HR True"
+96.08889	3834
+97.1012	10088	"Theoretical m/z 97.101177, Mass diff 0 (0.24 ppm), SMILES *C(=CC(*)C(*)(C)C)C, Annotation [C7H14-H]+, Rule of HR True"
+103.0542	5766	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06992	18854	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.08553	14383	"Theoretical m/z 107.085527, Mass diff 0 (0.03 ppm), SMILES *C(=CC1C(*)C1(C)C)C, Annotation [C8H14-3H]+, Rule of HR True"
+109.10126	8980	"Theoretical m/z 109.101175, Mass diff 0 (0.78 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+114.0338	14910	"Theoretical m/z 114.033822, Mass diff 0 (0.2 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05424	25587	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04938	10372	"Theoretical m/z 116.049472, Mass diff 0 (0.8 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+119.0855	5175	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.06481	4597	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+121.10118	81102	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+122.10458	8481
+123.11681	320912	"Theoretical m/z 123.116825, Mass diff 0 (0.12 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12022	32617
+127.05429	3815	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+139.05426	10204	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.11171	20968	"Theoretical m/z 139.111738, Mass diff 0 (0.2 ppm), SMILES *C(=CC1C(C(*)=O)C1(C)C)C, Annotation [C9H14O+H]+, Rule of HR True"
+140.04938	5273	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+141.06984	25699	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+149.04482	6578
+149.09604	4960	"Theoretical m/z 149.09664, Mass diff 0 (0 ppm), Formula C10H13O"
+151.02403	9407
+152.06198	71352
+153.06979	33407	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07314	6561
+155.08548	6155	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+167.05533	20198
+167.10664	16279	"Theoretical m/z 167.106662, Mass diff 0 (0.13 ppm), SMILES *OC(=O)C1C(C=C(C)C)C1(C)C, Annotation [C10H16O2-H]+, Rule of HR True"
+168.05704	14904
+169.06467	21256	"Theoretical m/z 169.064792, Mass diff 0 (0.72 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+178.0649	6974	"Theoretical m/z 178.062994, Mass diff -0.002 (0 ppm), Formula C10H10O3"
+179.08545	8206	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.08069	34821	"Theoretical m/z 180.08078, Mass diff 0 (-0.5 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06468	207550	"Theoretical m/z 181.064798, Mass diff 0 (0.65 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06816	29384
+183.08026	5955	"Theoretical m/z 183.080448, Mass diff 0 (1.03 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+190.06496	5926	"Theoretical m/z 190.062994, Mass diff -0.003 (0 ppm), Formula C11H10O3"
+197.05975	7559	"Theoretical m/z 197.059701, Mass diff 0 (0.25 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.06731	3217	"Theoretical m/z 198.067526, Mass diff 0 (1.09 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-2H]+, Rule of HR False"
+206.05997	20629	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.0323	12998
+207.10205	11773	"Theoretical m/z 207.102119, Mass diff 0 (0 ppm), Formula C12H15O3"
+208.03143	7608
+209.08356	33809
+210.08681	4434
+223.06329	3229
+228.02113	3623
+252.07788	8357	"Theoretical m/z 252.078106, Mass diff 0 (0.9 ppm), SMILES *C(*)C(=O)OC(C=1C=CC=C(OC=2C=CC=CC2)C1)C(*)(*)*, Annotation [C16H16O3-4H]+, Rule of HR False"
+355.06982	6181
+
+NAME: Flucythrinate_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2833.7
+PRECURSORMZ: 451.1593
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C26H23F2NO4
+INCHIKEY: GBIHOLCMZGAKNG-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 73
+77.03861	47578	"Theoretical m/z 77.038578, Mass diff 0 (0.42 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04647	12606	"Theoretical m/z 78.046403, Mass diff 0 (0.86 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6]+, Rule of HR False"
+79.05428	17752	"Theoretical m/z 79.054228, Mass diff 0 (0.66 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6+H]+, Rule of HR True"
+89.03862	21908	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04646	22093	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05431	44702	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+94.0414	14884	"Theoretical m/z 94.041313, Mass diff 0 (0.92 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04922	24032	"Theoretical m/z 95.049141, Mass diff 0 (0.83 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+103.05429	10637	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06999	17936	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.04141	8249	"Theoretical m/z 106.041865, Mass diff 0 (0 ppm), Formula C7H6O"
+107.0492	208568	"Theoretical m/z 107.049141, Mass diff 0 (0.55 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.0525	24633
+114.03388	15984	"Theoretical m/z 114.033822, Mass diff 0 (0.51 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05429	52515	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04954	20987	"Theoretical m/z 116.049472, Mass diff 0 (0.58 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+117.06991	17562	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.08565	9800	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.06486	18386	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.04408	11835	"Theoretical m/z 123.044604, Mass diff 0 (0 ppm), Formula C7H7O2"
+127.03095	33413
+128.06209	7807	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06988	13217	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.08559	13625	"Theoretical m/z 131.085519, Mass diff 0 (0.54 ppm), SMILES *C1=CC=C(C=C1)C(*)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+132.04445	9814	"Theoretical m/z 132.044391, Mass diff 0 (0.44 ppm), SMILES *OC(C#N)C=1C=CC=C(*)C1, Annotation [C8H7NO-H]+, Rule of HR True"
+133.06486	25170	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+134.07266	8643	"Theoretical m/z 134.073165, Mass diff 0 (0 ppm), Formula C9H10O"
+139.0542	13285	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06993	43487	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07774	9875
+145.06477	7872	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+149.04489	16185
+151.02416	15217
+152.06204	84996
+153.06985	50974	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07765	14273
+155.06035	11997
+156.03812	24124
+157.04596	741528	"Theoretical m/z 157.045948, Mass diff 0 (0.08 ppm), SMILES *C(*)C1=CC=C(OC(F)F)C=C1, Annotation [C8H8F2O-H]+, Rule of HR True"
+158.04932	68372
+163.00771	22953
+165.00484	11601
+167.05547	9069
+168.05705	23979
+169.06476	25196	"Theoretical m/z 169.064792, Mass diff 0 (0.19 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+171.06155	59081	"Theoretical m/z 171.062146, Mass diff 0 (0 ppm), Formula C9H9F2O"
+173.04094	41608	"Theoretical m/z 173.041411, Mass diff 0 (0 ppm), Formula C8H7F2O2"
+178.06508	14396	"Theoretical m/z 178.062994, Mass diff -0.003 (0 ppm), Formula C10H10O3"
+180.08073	59033	"Theoretical m/z 180.08078, Mass diff 0 (-0.28 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06477	339918	"Theoretical m/z 181.064798, Mass diff 0 (0.15 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06821	48509
+183.08055	14893	"Theoretical m/z 183.080448, Mass diff 0 (0.56 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+184.03307	141135
+185.03645	13253
+190.06508	8658
+197.05983	29711	"Theoretical m/z 197.059701, Mass diff 0 (0.65 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.06772	12695	"Theoretical m/z 198.067526, Mass diff 0 (0.98 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-2H]+, Rule of HR False"
+199.0929	314386	"Theoretical m/z 199.092899, Mass diff 0 (0.01 ppm), SMILES *C(C1=CC=C(OC(F)F)C=C1)C(C)C, Annotation [C11H14F2O-H]+, Rule of HR True"
+200.09628	40481
+201.03586	19271	"Theoretical m/z 201.035785, Mass diff 0 (0.37 ppm), SMILES *OC(=O)C(*)C1=CC=C(OC(F)F)C=C1, Annotation [C9H8F2O3-H]+, Rule of HR True"
+202.0388	8323
+206.06018	26498	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.03235	15731
+207.06795	15243	"Theoretical m/z 207.067862, Mass diff 0 (0.42 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO-2H]+, Rule of HR False"
+208.07593	20273	"Theoretical m/z 208.075687, Mass diff 0 (1.17 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO-H]+, Rule of HR True"
+209.01166	71986
+209.08366	64899	"Theoretical m/z 209.083512, Mass diff 0 (0.71 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO]+, Rule of HR False"
+210.08688	10189
+210.99083	7675
+225.04298	244372
+225.07846	244219
+226.04186	47316
+451.1593	18375	"Theoretical m/z 451.158967, Mass diff 0 (0.74 ppm), SMILES N#CC(OC(=O)C(C1=CC=C(OC(F)F)C=C1)C(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2, Annotation [C26H23F2NO4]+, Rule of HR False"
+
+NAME: Flucythrinate_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2862.3
+PRECURSORMZ: 451.15881
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C26H23F2NO4
+INCHIKEY: GBIHOLCMZGAKNG-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 61
+75.02608	9835	"Theoretical m/z 75.024618, Mass diff -0.002 (0 ppm), Formula C3H4FO"
+78.04642	11877	"Theoretical m/z 78.046403, Mass diff 0 (0.22 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6]+, Rule of HR False"
+90.04644	11871	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+92.06208	7175	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+95.04919	16920	"Theoretical m/z 95.049141, Mass diff 0 (0.52 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08556	19345	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+103.05427	8719	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06992	6626	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04916	145936	"Theoretical m/z 107.049141, Mass diff 0 (0.18 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05249	18718
+114.03386	12011	"Theoretical m/z 114.033822, Mass diff 0 (0.33 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05424	36857	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06983	10023	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.08559	7378	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.06478	13114	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+128.06198	6557	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+133.06477	21167	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+134.03618	6817	"Theoretical m/z 134.036779, Mass diff 0 (0 ppm), Formula C8H6O2"
+141.06984	26395	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+145.10106	8976	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+151.02406	7548
+152.06195	11820
+153.06979	34890	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07327	8230
+155.08554	9240	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.0379	21817
+157.04588	548015	"Theoretical m/z 157.045948, Mass diff 0 (0.43 ppm), SMILES *C(*)C1=CC=C(OC(F)F)C=C1, Annotation [C8H8F2O-H]+, Rule of HR True"
+158.04922	48818
+168.05705	12295
+169.03459	8562	"Theoretical m/z 169.03124, Mass diff -0.004 (0 ppm), Formula C5H7F2O4"
+169.06462	22589	"Theoretical m/z 169.064792, Mass diff 0 (1.02 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+171.06145	38776	"Theoretical m/z 171.062146, Mass diff 0 (0 ppm), Formula C9H9F2O"
+173.04086	17505	"Theoretical m/z 173.041411, Mass diff 0 (0 ppm), Formula C8H7F2O2"
+178.07767	7732
+180.08067	27264	"Theoretical m/z 180.08078, Mass diff 0 (-0.61 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06467	183257	"Theoretical m/z 181.064798, Mass diff 0 (0.71 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06808	17540
+183.08017	12481	"Theoretical m/z 183.080448, Mass diff 0 (1.52 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+184.03294	90567
+184.08815	8372
+185.03638	6447
+197.05974	8016	"Theoretical m/z 197.059701, Mass diff 0 (0.2 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+199.0928	214037	"Theoretical m/z 199.092899, Mass diff 0 (0.5 ppm), SMILES *C(C1=CC=C(OC(F)F)C=C1)C(C)C, Annotation [C11H14F2O-H]+, Rule of HR True"
+200.09621	18311
+201.03571	30565	"Theoretical m/z 201.035785, Mass diff 0 (0.37 ppm), SMILES *OC(=O)C(*)C1=CC=C(OC(F)F)C=C1, Annotation [C9H8F2O3-H]+, Rule of HR True"
+206.06012	15284	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.03229	15547
+207.10191	11469	"Theoretical m/z 207.102119, Mass diff 0 (0 ppm), Formula C12H15O3"
+209.08356	37763	"Theoretical m/z 209.083512, Mass diff 0 (0.23 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO]+, Rule of HR False"
+210.08676	6151
+210.99084	6629
+211.06044	7976
+225.04286	126499
+225.07837	142583
+226.04186	36572
+227.02212	21444
+266.99918	6939
+281.05106	7481
+283.03043	6404	"Theoretical m/z 283.035932, Mass diff 0.005 (0 ppm), Formula C20H5F2"
+285.00973	9335	"Theoretical m/z 285.014053, Mass diff 0.004 (0 ppm), Formula C22H2F"
+299.06162	5597	"Theoretical m/z 299.067232, Mass diff 0.005 (0 ppm), Formula C21H9F2"
+
+NAME: cis-Fenvalerate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2945
+PRECURSORMZ: 419.1279
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C25H22ClNO3
+INCHIKEY: NYPJDWWKZLNGGM-RPWUZVMVSA-N
+INCHI: 
+SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 65
+75.02608	14592
+77.03857	59264	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04643	17589	"Theoretical m/z 78.046403, Mass diff 0 (0.35 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05424	12359	"Theoretical m/z 79.054228, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+88.03068	11536	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03858	111874	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04639	17455	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05426	37782	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+95.08555	16786	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+103.05421	34196	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.0699	13386	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+113.01526	26712	"Theoretical m/z 113.015257, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(Cl)C=C1, Annotation [C6H5Cl+H]+, Rule of HR True"
+114.03378	33206	"Theoretical m/z 114.033822, Mass diff 0 (0.37 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05422	155035	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06203	64961	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06986	40815	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+124.00746	61833
+125.01525	1120647	"Theoretical m/z 125.015255, Mass diff 0 (0.04 ppm), SMILES *C(*)C1=CC=C(Cl)C=C1, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.01859	112807
+127.01228	363147
+128.06203	41546	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06982	15483	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.08546	12477	"Theoretical m/z 131.085519, Mass diff 0 (0.45 ppm), SMILES *C1=CC=C(C=C1)C(*)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+139.03087	90597	"Theoretical m/z 139.031453, Mass diff 0 (0 ppm), Formula C8H8Cl"
+140.04958	12352	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+141.01009	65617	"Theoretical m/z 141.010717, Mass diff 0 (0 ppm), Formula C7H6ClO"
+141.06985	132381	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+143.00719	13904
+147.03142	35364
+151.02403	31766
+152.00226	300698
+152.06195	132072
+153.06975	77394	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+153.99933	56006
+154.07773	15741
+155.0602	16457
+165.06978	15733	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.06209	205940	"Theoretical m/z 167.062198, Mass diff 0 (0.65 ppm), SMILES *C(C1=CC=C(Cl)C=C1)C(C)C, Annotation [C10H13Cl-H]+, Rule of HR True"
+168.0569	58484	"Theoretical m/z 168.056967, Mass diff 0 (0.4 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-2H]+, Rule of HR False"
+169.03464	41486
+169.06471	162993	"Theoretical m/z 169.064792, Mass diff 0 (0.49 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+170.0126	11503
+170.07259	35482	"Theoretical m/z 170.072617, Mass diff 0 (0.16 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O]+, Rule of HR False"
+171.00203	11332	"Theoretical m/z 171.000153, Mass diff -0.002 (0 ppm), Formula C11H4Cl"
+178.0649	17341	"Theoretical m/z 178.062994, Mass diff -0.002 (0 ppm), Formula C10H10O3"
+179.06042	13127
+180.08061	85110	"Theoretical m/z 180.08078, Mass diff 0 (-0.94 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06465	479338	"Theoretical m/z 181.064798, Mass diff 0 (0.82 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06808	69678
+190.06514	11516	"Theoretical m/z 190.062994, Mass diff -0.003 (0 ppm), Formula C11H10O3"
+197.05952	60943	"Theoretical m/z 197.059701, Mass diff 0 (0.92 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.06729	29730	"Theoretical m/z 198.067526, Mass diff 0 (1.19 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-2H]+, Rule of HR False"
+206.06001	44585	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.03223	29534
+207.06813	23357
+208.03139	26373
+209.01155	16664
+209.08351	115820
+210.08673	22656
+223.06335	12484
+225.04283	602857	"Theoretical m/z 225.047103, Mass diff 0.004 (0 ppm), Formula C15H10Cl"
+225.07832	590504
+226.04164	90837	"Theoretical m/z 226.042352, Mass diff 0 (0 ppm), Formula C14H9ClN"
+285.00961	12327	"Theoretical m/z 285.010717, Mass diff 0.001 (0 ppm), Formula C19H6ClO"
+419.1279	30668	"Theoretical m/z 419.128266, Mass diff 0 (0.87 ppm), SMILES N#CC(OC(=O)C(C1=CC=C(Cl)C=C1)C(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2, Annotation [C25H22ClNO3]+, Rule of HR False"
+
+NAME: trans-Fenvalerate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2965.3
+PRECURSORMZ: 419.12869
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C25H22ClNO3
+INCHIKEY: NYPJDWWKZLNGGM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 82
+71.08554	7711	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+73.04681	10862
+77.03858	16299	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.05424	8628	"Theoretical m/z 79.054228, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.06208	3330	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+80.91576	3133
+81.06988	3747	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.08556	3097	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+87.04416	3656	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+88.03076	3573	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03856	28448	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05426	16170	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06995	3924	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04134	13047	"Theoretical m/z 94.041313, Mass diff 0 (0.29 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08552	3618	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+96.0934	3031	"Theoretical m/z 96.0939, Mass diff 0 (0 ppm), Formula C7H12"
+102.04642	3711	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05428	5490	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06204	3832	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06993	7059	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+109.10121	3341	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+114.03381	7158	"Theoretical m/z 114.033822, Mass diff 0 (0.11 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05422	19832	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06208	20080	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06985	12445	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+121.06476	6311	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+124.00743	14435
+125.01526	302741	"Theoretical m/z 125.015255, Mass diff 0 (0.04 ppm), SMILES *C(*)C1=CC=C(Cl)C=C1, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.01864	26226
+127.01229	74137
+128.06198	12554	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06985	6061	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.08563	7320	"Theoretical m/z 131.085519, Mass diff 0 (0.85 ppm), SMILES *C1=CC=C(C=C1)C(*)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+139.03091	26390	"Theoretical m/z 139.031453, Mass diff 0 (0 ppm), Formula C8H8Cl"
+141.01016	18461	"Theoretical m/z 141.010717, Mass diff 0 (0 ppm), Formula C7H6ClO"
+141.06985	36405	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+147.06546	8247
+149.04478	6476
+151.024	9991
+152.00227	4231
+152.06195	30126
+153.00325	3032
+153.06982	19135	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+153.99933	13681
+154.0777	7049
+155.08548	5171	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+165.06982	5298	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.0733	3468
+167.06207	54223	"Theoretical m/z 167.062198, Mass diff 0 (0.77 ppm), SMILES *C(C1=CC=C(Cl)C=C1)C(C)C, Annotation [C10H13Cl-H]+, Rule of HR True"
+168.05696	14804	"Theoretical m/z 168.056967, Mass diff 0 (0.04 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-2H]+, Rule of HR False"
+169.03462	36311
+169.05924	21108
+179.08546	4064	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.08073	15938	"Theoretical m/z 180.08078, Mass diff 0 (-0.28 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06467	111029	"Theoretical m/z 181.064798, Mass diff 0 (0.71 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06819	8898
+183.0804	6012	"Theoretical m/z 183.080448, Mass diff 0 (0.26 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+191.00081	5435
+192.97998	3358
+196.97513	10079
+197.05966	7276	"Theoretical m/z 197.059701, Mass diff 0 (0.21 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.06732	7332	"Theoretical m/z 198.067526, Mass diff 0 (1.04 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-2H]+, Rule of HR False"
+206.06024	6273	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.10207	3838	"Theoretical m/z 207.102119, Mass diff 0 (0 ppm), Formula C12H15O3"
+208.0313	7578
+209.08366	10678
+210.08675	5559
+211.99058	3792	"Theoretical m/z 211.990316, Mass diff -0.001 (0 ppm), Formula C12H3ClNO"
+223.06364	3465
+225.04283	148599	"Theoretical m/z 225.047103, Mass diff 0.004 (0 ppm), Formula C15H10Cl"
+225.07834	87530
+226.04158	29587	"Theoretical m/z 226.042352, Mass diff 0 (0 ppm), Formula C14H9ClN"
+227.0221	15595	"Theoretical m/z 227.026368, Mass diff 0.004 (0 ppm), Formula C14H8ClO"
+228.02106	6429
+229.00133	8917	"Theoretical m/z 229.005632, Mass diff 0.004 (0 ppm), Formula C13H6ClO2"
+251.00397	3618
+265.01971	5738
+267.99817	3123	"Theoretical m/z 267.995402, Mass diff -0.003 (0 ppm), Formula C18H3ClN"
+283.03036	11754	"Theoretical m/z 283.031453, Mass diff 0.001 (0 ppm), Formula C20H8Cl"
+324.98624	3642	"Theoretical m/z 324.984503, Mass diff -0.002 (0 ppm), Formula C24H2Cl"
+341.01706	3741	"Theoretical m/z 341.015803, Mass diff -0.002 (0 ppm), Formula C25H6Cl"
+419.12869	8535	"Theoretical m/z 419.128266, Mass diff 0 (1.01 ppm), SMILES N#CC(OC(=O)C(C1=CC=C(Cl)C=C1)C(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2, Annotation [C25H22ClNO3]+, Rule of HR False"
+
+NAME: Deltamethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3045.5
+PRECURSORMZ: 489.12466
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H19Br2NO3
+INCHIKEY: OWZREIFADZCYQD-NSHGMRRFSA-N
+INCHI: 
+SMILES: CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 144
+73.04682	6109
+74.04641	4386
+74.97178	1157
+76.03079	4920	"Theoretical m/z 76.030753, Mass diff 0 (0.49 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03859	15839	"Theoretical m/z 77.038578, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.05425	3383	"Theoretical m/z 79.054228, Mass diff 0 (0.28 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+79.92563	1996
+80.06211	2591	"Theoretical m/z 80.062054, Mass diff 0 (0.7 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-4H]+, Rule of HR False"
+80.91576	2614
+81.92363	3400
+85.1012	4531	"Theoretical m/z 85.101179, Mass diff 0 (0.25 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12+H]+, Rule of HR True"
+87.0441	1854	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+88.95096	1647
+89.0386	5018	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+89.95053	1151
+90.04645	893	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05428	30144	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.0621	10288	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06994	18118	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04137	2501	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+97.1012	1073	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+102.04642	3174	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+104.06209	4116	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06993	3640	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.0414	3391	"Theoretical m/z 106.041865, Mass diff 0 (0 ppm), Formula C7H6O"
+107.04924	3037	"Theoretical m/z 107.049141, Mass diff 0 (0.93 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+109.1012	2807	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+113.13238	1370	"Theoretical m/z 113.133026, Mass diff 0 (0 ppm), Formula C8H17"
+114.03397	3197	"Theoretical m/z 114.033822, Mass diff 0 (1.29 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+116.062	3106	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.01863	3231
+120.05693	1520	"Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O"
+128.06209	3048	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06984	2893	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+133.01356	2148
+133.10121	2847	"Theoretical m/z 133.101725, Mass diff 0 (0 ppm), Formula C10H13"
+134.10908	971	"Theoretical m/z 134.10955, Mass diff 0 (0 ppm), Formula C10H14"
+135.11681	1928	"Theoretical m/z 135.116821, Mass diff 0 (-0.08 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+138.00792	1124
+139.05431	3624	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+142.07771	2077
+147.06555	9190	"Theoretical m/z 147.068414, Mass diff 0.002 (0 ppm), Formula C9H9NO"
+149.13249	1731	"Theoretical m/z 149.133026, Mass diff 0 (0 ppm), Formula C11H17"
+151.14793	1058	"Theoretical m/z 151.148676, Mass diff 0 (0 ppm), Formula C11H19"
+152.06206	4040
+153.00334	3192
+153.06976	1741	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.98259	1623
+155.0855	2016	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+162.96991	2227
+163.06074	1642
+164.94897	4087
+166.07318	1655
+166.92834	2539
+167.0554	3177
+169.03461	7625
+171.01392	4434
+171.98817	51678
+174.99394	1043
+179.03442	2660
+179.08551	1281	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+179.96428	1900	"Theoretical m/z 179.966016, Mass diff 0.001 (0 ppm), Formula C4H7BrNO2"
+180.08067	16942	"Theoretical m/z 180.08078, Mass diff 0 (-0.61 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+180.98013	1804
+181.0647	88628	"Theoretical m/z 181.064798, Mass diff 0 (0.54 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06799	8941
+182.95955	2271
+183.27495	887
+184.0881	943
+191.00095	9064
+192.00044	3494	"Theoretical m/z 192, Mass diff -0.001 (0 ppm), Formula C16"
+193.04985	3576
+197.05959	3886	"Theoretical m/z 197.059701, Mass diff 0 (0.56 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+197.13219	1585	"Theoretical m/z 197.133026, Mass diff 0 (0 ppm), Formula C15H17"
+197.97476	1910	"Theoretical m/z 197.97658, Mass diff 0.001 (0 ppm), Formula C4H9BrNO3"
+203.00092	982
+206.06027	4348	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.03229	40656
+208.03137	5965	"Theoretical m/z 208.033701, Mass diff 0.002 (0 ppm), Formula C7H15BrNO"
+209.0116	5472
+209.08368	2994
+212.06384	4079
+213.00639	2981
+213.05748	1351	"Theoretical m/z 213.055169, Mass diff -0.003 (0 ppm), Formula C13H9O3"
+215.08551	1759	"Theoretical m/z 215.086075, Mass diff 0 (0 ppm), Formula C17H11"
+215.98541	2730	"Theoretical m/z 215.984744, Mass diff -0.001 (0 ppm), Formula C14O3"
+221.08437	4719
+222.08392	2104
+223.02722	1109
+224.02643	1093
+226.04184	8433	"Theoretical m/z 226.044266, Mass diff 0.002 (0 ppm), Formula C7H17BrNO2"
+229.00143	10038
+230.98068	1621	"Theoretical m/z 230.980937, Mass diff 0 (0 ppm), Formula C12H8Br"
+234.9727	1028	"Theoretical m/z 234.975852, Mass diff 0.003 (0 ppm), Formula C11H8BrO"
+240.0943	1187
+248.98883	1568	"Theoretical m/z 248.991502, Mass diff 0.002 (0 ppm), Formula C12H10BrO"
+250.90617	6525	"Theoretical m/z 250.906543, Mass diff 0 (1.49 ppm), SMILES *C1C(C=C(Br)Br)C1(C)C, Annotation [C7H10Br2-H]+, Rule of HR True"
+252.90463	24991
+252.98344	2526	"Theoretical m/z 252.986417, Mass diff 0.002 (0 ppm), Formula C11H10BrO2"
+254.90257	8882	"Theoretical m/z 254.902014, Mass diff -0.001 (0 ppm), Formula C6H9Br2O"
+254.96288	1930	"Theoretical m/z 254.965681, Mass diff 0.002 (0 ppm), Formula C10H8BrO3"
+265.01978	5779	"Theoretical m/z 265.022802, Mass diff 0.002 (0 ppm), Formula C13H14BrO"
+266.01993	3206
+266.99918	13519	"Theoretical m/z 267.002067, Mass diff 0.002 (0 ppm), Formula C12H12BrO2"
+267.0686	2400
+267.99817	4604
+268.97842	5193	"Theoretical m/z 268.981331, Mass diff 0.002 (0 ppm), Formula C11H10BrO3"
+270.97528	2364	"Theoretical m/z 270.975852, Mass diff 0 (0 ppm), Formula C14H8BrO"
+271.02756	1676
+279.07202	2095	"Theoretical m/z 279.074838, Mass diff 0.002 (0 ppm), Formula C15H20Br"
+285.00973	1242	"Theoretical m/z 285.012631, Mass diff 0.002 (0 ppm), Formula C12H14BrO3"
+285.07947	5094
+286.00916	2061	"Theoretical m/z 286.00788, Mass diff -0.002 (0 ppm), Formula C11H13BrNO3"
+287.00653	2243	"Theoretical m/z 287.007152, Mass diff 0 (0 ppm), Formula C15H12BrO"
+295.10263	1817
+300.06073	4617	"Theoretical m/z 300.059916, Mass diff -0.001 (0 ppm), Formula C13H19BrNO2"
+302.05896	985
+323.00699	2381	"Theoretical m/z 323.007152, Mass diff 0 (0 ppm), Formula C18H12BrO"
+324.98645	4040	"Theoretical m/z 324.986417, Mass diff -0.001 (0 ppm), Formula C17H10BrO2"
+327.99686	1275	"Theoretical m/z 327.997316, Mass diff 0 (0 ppm), Formula C16H11BrNO2"
+339.03857	3477	"Theoretical m/z 339.038452, Mass diff -0.001 (0 ppm), Formula C19H16BrO"
+341.01767	5920	"Theoretical m/z 341.017717, Mass diff -0.001 (0 ppm), Formula C18H14BrO2"
+342.01788	2554
+343.99786	1644	"Theoretical m/z 343.99223, Mass diff -0.006 (0 ppm), Formula C16H11BrNO3"
+344.97632	1961	"Theoretical m/z 344.970094, Mass diff -0.007 (0 ppm), Formula C10H19Br2O3"
+345.97668	2638	"Theoretical m/z 345.980599, Mass diff 0.003 (0 ppm), Formula C13H18Br2N"
+355.06986	3949	"Theoretical m/z 355.069752, Mass diff -0.001 (0 ppm), Formula C20H20BrO"
+357.0657	4465
+387.00247	2777	"Theoretical m/z 387.002067, Mass diff -0.001 (0 ppm), Formula C22H12BrO2"
+387.07144	1639
+399.00595	1401
+400.98492	1093	"Theoretical m/z 400.981331, Mass diff -0.004 (0 ppm), Formula C22H10BrO3"
+401.98511	1228
+413.05759	928
+415.10706	2801
+416.10822	2490
+429.08856	3227
+430.08932	2048
+431.08691	2595
+432.08722	1382
+447.34723	2964
+475.07217	3739
+475.14255	2122
+504.10764	1890
+
+NAME: Chlorpyrifos oxon
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1968.1
+PRECURSORMZ: 307.92197
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H11Cl3NO4P
+INCHIKEY: OTMOUPHCTWPNSL-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 93
+75.02606	5795
+77.03854	8689	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05421	10229	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.91576	6251
+80.97361	34554	"Theoretical m/z 80.973606, Mass diff 0 (0.05 ppm), SMILES *OP(*)(=O)O*, Annotation [H3O3P-H]+, Rule of HR True"
+87.99484	7710	"Theoretical m/z 87.995402, Mass diff 0 (0 ppm), Formula C3H3ClN"
+90.99433	15903	"Theoretical m/z 90.99434, Mass diff 0 (0.11 ppm), SMILES *P(*)(=O)OCC, Annotation [C2H7O2P-3H]+, Rule of HR True"
+91.05423	7956	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+97.10118	13163
+97.97922	75207	"Theoretical m/z 97.979752, Mass diff 0 (0 ppm), Formula C4HClN"
+98.98415	134531	"Theoretical m/z 98.98472, Mass diff 0 (0 ppm), Formula H4O4P"
+99.97622	21345
+105.06988	7870	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.94496	82884	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+108.94201	59882
+109.0049	233500	"Theoretical m/z 109.004909, Mass diff 0 (0.08 ppm), SMILES *OP(*)(=O)OCC, Annotation [C2H7O3P-H]+, Rule of HR True"
+110.93906	9710
+113.97414	12154	"Theoretical m/z 113.974666, Mass diff 0 (0 ppm), Formula C4HClNO"
+119.08546	6909	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.94204	5589
+131.0855	6320
+132.94806	14900	"Theoretical m/z 132.945924, Mass diff -0.003 (0 ppm), Formula CH3Cl2O3"
+133.95584	27539	"Theoretical m/z 133.956429, Mass diff 0 (0 ppm), Formula C4H2Cl2N"
+134.94505	5844
+135.11684	7455
+135.9529	17775
+145.10114	7791
+149.95064	17171	"Theoretical m/z 149.951168, Mass diff 0 (0 ppm), Formula C3H2ClNO2P"
+151.94777	10507	"Theoretical m/z 151.945688, Mass diff -0.003 (0 ppm), Formula C6ClNP"
+159.11674	7871
+160.9429	12961	"Theoretical m/z 160.942969, Mass diff 0 (0.43 ppm), SMILES *OC1=NC(Cl)=C(Cl)C=C1*, Annotation [C5H3Cl2NO-2H]+, Rule of HR False"
+161.95078	7424	"Theoretical m/z 161.950794, Mass diff 0 (0.09 ppm), SMILES *OC1=NC(Cl)=C(Cl)C=C1*, Annotation [C5H3Cl2NO-H]+, Rule of HR True"
+163.9478	10746	"Theoretical m/z 163.945688, Mass diff -0.003 (0 ppm), Formula C7ClNP"
+167.91679	37317	"Theoretical m/z 167.917281, Mass diff 0 (0 ppm), Formula C3HCl2NOP"
+168.92459	131890	"Theoretical m/z 168.922426, Mass diff -0.003 (0 ppm), Formula H4Cl2O4P"
+169.91383	44483
+170.9216	134959
+171.95169	16125	"Theoretical m/z 171.948757, Mass diff -0.003 (0 ppm), Formula C4H5Cl3N"
+172.91875	37535
+177.9455	15520	"Theoretical m/z 177.946082, Mass diff 0 (0 ppm), Formula C4H2ClNO3P"
+179.91682	20829	"Theoretical m/z 179.916904, Mass diff 0 (0.47 ppm), SMILES *C=1N=C(Cl)C(Cl)=CC1Cl, Annotation [C5H2Cl3N-H]+, Rule of HR True"
+180.92459	13340	"Theoretical m/z 180.924729, Mass diff 0 (0.77 ppm), SMILES *C=1N=C(Cl)C(Cl)=CC1Cl, Annotation [C5H2Cl3N]+, Rule of HR False"
+181.91373	8671
+182.92175	6792	"Theoretical m/z 182.925189, Mass diff 0.003 (0 ppm), Formula C4HCl2O4"
+187.14789	7921
+189.16356	6040
+189.98181	32077	"Theoretical m/z 189.982468, Mass diff 0 (0 ppm), Formula C6H6ClNO2P"
+191.97899	10723	"Theoretical m/z 191.976988, Mass diff -0.003 (0 ppm), Formula C9H4ClNP"
+196.91951	281194	"Theoretical m/z 196.919648, Mass diff 0 (0.7 ppm), SMILES *OC1=NC(Cl)=C(Cl)C=C1Cl, Annotation [C5H2Cl3NO]+, Rule of HR False"
+197.92316	30739
+198.91653	253516
+199.92435	24542	"Theoretical m/z 199.922366, Mass diff -0.003 (0 ppm), Formula C7HCl2NP"
+200.91356	81410
+201.92142	8257	"Theoretical m/z 201.92276, Mass diff 0.001 (0 ppm), Formula C3H3Cl2NO3P"
+202.91087	7596
+205.93243	9174	"Theoretical m/z 205.932931, Mass diff 0 (0 ppm), Formula C6H3Cl2NOP"
+206.94031	29286	"Theoretical m/z 206.940269, Mass diff -0.001 (0 ppm), Formula C9HClO2P"
+207.92946	13213	"Theoretical m/z 207.933325, Mass diff 0.003 (0 ppm), Formula C2H5Cl2NO4P"
+208.93724	30536	"Theoretical m/z 208.940839, Mass diff 0.003 (0 ppm), Formula C6H3Cl2O4"
+209.92729	15647	"Theoretical m/z 209.927295, Mass diff 0 (0.03 ppm), SMILES *C1=CC(Cl)=C(Cl)N=C1OP(*)(*)=O, Annotation [C5H4Cl2NO2P-H]+, Rule of HR True"
+210.99078	7417	"Theoretical m/z 210.992698, Mass diff 0.001 (0 ppm), Formula C6H9ClO4P"
+211.92448	8101	"Theoretical m/z 211.922366, Mass diff -0.003 (0 ppm), Formula C8HCl2NP"
+223.94295	19304	"Theoretical m/z 223.943495, Mass diff 0 (0 ppm), Formula C6H5Cl2NO2P"
+225.04277	8244
+225.94009	15950	"Theoretical m/z 225.938016, Mass diff -0.003 (0 ppm), Formula C9H3Cl2NP"
+229.19476	6663
+240.90929	6439
+241.91696	541866	"Theoretical m/z 241.917675, Mass diff 0 (0 ppm), Formula C5H3Cl2NO4P"
+242.92032	32488
+243.91408	347865	"Theoretical m/z 243.912372, Mass diff -0.002 (0 ppm), Formula C9HCl3NO"
+244.21399	13134
+244.91745	20500
+245.9111	54352
+251.93748	6728	"Theoretical m/z 251.93786, Mass diff 0 (1.51 ppm), SMILES *C1=CC(Cl)=C(Cl)N=C1OP(*)(=O)OCC, Annotation [C7H8Cl2NO3P-3H]+, Rule of HR True"
+257.22623	11696
+259.88275	13548	"Theoretical m/z 259.883228, Mass diff 0 (1.84 ppm), SMILES *OP(*)(=O)OC1=NC(Cl)=C(Cl)C=C1Cl, Annotation [C5H3Cl3NO3P-H]+, Rule of HR True"
+261.88052	17356	"Theoretical m/z 261.878308, Mass diff -0.003 (0 ppm), Formula C8Cl3NOP"
+268.97821	12675
+269.94836	381008	"Theoretical m/z 269.948413, Mass diff 0 (0.2 ppm), SMILES *OP(=O)(OC1=NC(Cl)=C(Cl)C=C1*)OCC, Annotation [C7H8Cl2NO4P-H]+, Rule of HR True"
+270.9516	33395
+271.94546	246556	"Theoretical m/z 271.941302, Mass diff -0.005 (0 ppm), Formula C4H10Cl3NO4P"
+272.94907	16751
+273.94244	31812
+277.89368	73737	"Theoretical m/z 277.893812, Mass diff 0 (0.48 ppm), SMILES *OP(=O)(O*)OC1=NC(Cl)=C(Cl)C=C1Cl, Annotation [C5H3Cl3NO4P+H]+, Rule of HR True"
+279.89072	73106	"Theoretical m/z 279.888873, Mass diff -0.002 (0 ppm), Formula C8H2Cl3NO2P"
+281.88782	18790
+287.91391	8471	"Theoretical m/z 287.914539, Mass diff 0.001 (2.18 ppm), SMILES *P(=O)(OC1=NC(Cl)=C(Cl)C=C1Cl)OCC, Annotation [C7H7Cl3NO3P-H]+, Rule of HR True"
+297.97955	174921	"Theoretical m/z 297.979725, Mass diff 0 (0.59 ppm), SMILES *C1=CC(Cl)=C(Cl)N=C1OP(=O)(OCC)OCC, Annotation [C9H12Cl2NO4P-H]+, Rule of HR True"
+298.98257	14997
+299.97653	108395
+300.06042	20068
+300.97998	10650
+301.97369	11266
+
+NAME: lambda-Cyhalothrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2585.3
+PRECURSORMZ: 449.1003
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C23H19ClF3NO3
+INCHIKEY: ZXQYGBMAQZUVMI-GCMPRSNUSA-N
+INCHI: 
+SMILES: CC1(C)[C@@H](\C=C(/Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 41
+75.02607	21074	"Theoretical m/z 75.024618, Mass diff -0.002 (0 ppm), Formula C3H4FO"
+77.03859	83914	"Theoretical m/z 77.038578, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.05426	26414	"Theoretical m/z 79.054228, Mass diff 0 (0.41 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+89.0386	23474	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05427	104355	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06997	21923	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+95.04917	29882	"Theoretical m/z 95.049141, Mass diff 0 (0.31 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+109.04479	23297	"Theoretical m/z 109.045353, Mass diff 0 (0 ppm), Formula C7H6F"
+114.03384	26572	"Theoretical m/z 114.033822, Mass diff 0 (0.15 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05424	106324	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04951	47140	"Theoretical m/z 116.049472, Mass diff 0 (0.32 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+127.03536	34574	"Theoretical m/z 127.035932, Mass diff 0 (0 ppm), Formula C7H5F2"
+139.05426	41828	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.05103	964333	"Theoretical m/z 141.051582, Mass diff 0 (0 ppm), Formula C8H7F2"
+145.0258	25674	"Theoretical m/z 145.02651, Mass diff 0 (0 ppm), Formula C7H4F3"
+151.02406	30861
+152.062	254284	"Theoretical m/z 152.06423, Mass diff 0.002 (0 ppm), Formula C6H12ClFN"
+153.06979	169294	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07324	23030
+155.06026	22386	"Theoretical m/z 155.062753, Mass diff 0.002 (0 ppm), Formula C9H12Cl"
+159.0416	34850	"Theoretical m/z 159.044604, Mass diff 0.002 (0 ppm), Formula C10H7O2"
+161.05722	300326	"Theoretical m/z 161.05726, Mass diff 0 (0.25 ppm), SMILES *C(=CC1C(*)C1(C)C)C(F)(F)F, Annotation [C8H11F3-3H]+, Rule of HR True"
+168.05693	68358	"Theoretical m/z 168.056967, Mass diff 0 (0.22 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-2H]+, Rule of HR False"
+169.0647	105447	"Theoretical m/z 169.064792, Mass diff 0 (0.55 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+177.02759	26019	"Theoretical m/z 177.027719, Mass diff 0 (0.73 ppm), SMILES *C1C(C=C(Cl)C(*)(F)F)C1(C)C, Annotation [C8H11ClF2-3H]+, Rule of HR True"
+178.06508	33451	"Theoretical m/z 178.062994, Mass diff -0.003 (0 ppm), Formula C10H10O3"
+179.06032	35785	"Theoretical m/z 179.062753, Mass diff 0.002 (0 ppm), Formula C11H12Cl"
+180.08073	329106	"Theoretical m/z 180.08078, Mass diff 0 (-0.28 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.0647	2081925	"Theoretical m/z 181.064798, Mass diff 0 (0.54 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06804	271768
+183.08037	39087	"Theoretical m/z 183.080448, Mass diff 0 (0.42 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+197.03386	577028	"Theoretical m/z 197.033939, Mass diff 0 (0.4 ppm), SMILES *C1C(C=C(Cl)C(F)(F)F)C1(C)C, Annotation [C8H10ClF3-H]+, Rule of HR True"
+198.03719	75738
+199.03093	162571
+206.06004	49001	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.06796	63048
+208.07571	122351	"Theoretical m/z 208.075687, Mass diff 0 (0.11 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO-H]+, Rule of HR True"
+209.08357	274066
+210.08684	63100
+225.04288	61505	"Theoretical m/z 225.047103, Mass diff 0.004 (0 ppm), Formula C15H10Cl"
+314.07883	29814	"Theoretical m/z 314.079274, Mass diff 0 (0 ppm), Formula C18H11F3NO"
+
+NAME: Tefluthrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1811.8
+PRECURSORMZ: 383.08758
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H14ClF7O2
+INCHIKEY: ZFHGXWPMULPQSE-WTKPLQERSA-N
+INCHI: 
+SMILES: CC1=C(F)C(F)=C(COC(=O)C2C(\C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 26
+77.03858	280385	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+87.02296	197477	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+91.05427	592372	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06993	244846	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+101.01977	347618	"Theoretical m/z 101.020282, Mass diff 0 (0 ppm), Formula C5H3F2"
+107.02916	336119	"Theoretical m/z 107.029703, Mass diff 0 (0 ppm), Formula C7H4F"
+125.01978	262532	"Theoretical m/z 125.020282, Mass diff 0 (0 ppm), Formula C7H3F2"
+127.03537	2989056	"Theoretical m/z 127.035932, Mass diff 0 (0 ppm), Formula C7H5F2"
+128.03871	229570
+137.01971	578238	"Theoretical m/z 137.020282, Mass diff 0 (0 ppm), Formula C8H3F2"
+141.051	5219536	"Theoretical m/z 141.051582, Mass diff 0 (0 ppm), Formula C8H7F2"
+142.05437	476028
+143.01024	233560	"Theoretical m/z 143.010309, Mass diff 0 (0.48 ppm), SMILES *C=1C(F)=C(*)C(=C(F)C1F)C, Annotation [C7H5F3-3H]+, Rule of HR True"
+145.02589	279103	"Theoretical m/z 145.025959, Mass diff 0 (0.47 ppm), SMILES *C=1C(F)=C(*)C(=C(F)C1F)C, Annotation [C7H5F3-H]+, Rule of HR True"
+157.02585	445659	"Theoretical m/z 157.025964, Mass diff 0 (0.73 ppm), SMILES *C=1C(F)=C(C(F)=C(F)C1C)C*, Annotation [C8H7F3-3H]+, Rule of HR True"
+159.04155	316456	"Theoretical m/z 159.041614, Mass diff 0 (0.4 ppm), SMILES *C=1C(F)=C(C(F)=C(F)C1C)C*, Annotation [C8H7F3-H]+, Rule of HR True"
+161.05719	1793897	"Theoretical m/z 161.05726, Mass diff 0 (0.43 ppm), SMILES *C(=CC1C(*)C1(C)C)C(F)(F)F, Annotation [C8H11F3-3H]+, Rule of HR True"
+163.01645	236417	"Theoretical m/z 163.016544, Mass diff 0 (0.58 ppm), SMILES *C=1C(F)=C(F)C(=C(F)C1F)C, Annotation [C7H4F4-H]+, Rule of HR True"
+165.02583	359237
+176.02438	404157
+177.03206	17756670	"Theoretical m/z 177.032184, Mass diff 0 (0.7 ppm), SMILES *CC1=C(F)C(F)=C(C(F)=C1F)C, Annotation [C8H6F4-H]+, Rule of HR True"
+178.03536	1512541
+191.01131	191421	"Theoretical m/z 191.012003, Mass diff 0 (0 ppm), Formula C8H3F4O"
+197.03381	3212558	"Theoretical m/z 197.033939, Mass diff 0 (0.65 ppm), SMILES *C1C(C=C(Cl)C(F)(F)F)C1(C)C, Annotation [C8H10ClF3-H]+, Rule of HR True"
+198.03716	273577
+199.03088	1031588	"Theoretical m/z 199.031453, Mass diff 0 (0 ppm), Formula C13H8Cl"
+
+NAME: Transfluthrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1902.5
+PRECURSORMZ: 338.04614
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H12Cl2F4O2
+INCHIKEY: DDVNRFNDOPPVQJ-HQJQHLMTSA-N
+INCHI: 
+SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCC1=C(F)C(F)=CC(F)=C1F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 55
+72.984	135721	"Theoretical m/z 72.983957, Mass diff 0 (0.59 ppm), SMILES *C(Cl)=CC(*)*, Annotation [C3H5Cl-3H]+, Rule of HR True"
+75.00414	219782	"Theoretical m/z 75.004631, Mass diff 0 (0 ppm), Formula C3HF2"
+77.03861	315433	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05428	257644	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+81.01356	97454	"Theoretical m/z 81.014053, Mass diff 0 (0 ppm), Formula C5H2F"
+81.06994	152393	"Theoretical m/z 81.069878, Mass diff 0 (0.77 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+84.984	229683	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+86.99969	168153	"Theoretical m/z 87.000153, Mass diff 0 (0 ppm), Formula C4H4Cl"
+89.03863	137478	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05428	3563412	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05762	315817
+92.99474	83785	"Theoretical m/z 92.99521, Mass diff 0 (0 ppm), Formula C3F3"
+93.06996	335026	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+95.04919	129490	"Theoretical m/z 95.049141, Mass diff 0 (0.52 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+99.00413	221285	"Theoretical m/z 99.004631, Mass diff 0 (0 ppm), Formula C5HF2"
+101.01979	117413	"Theoretical m/z 101.020282, Mass diff 0 (0 ppm), Formula C5H3F2"
+108.96071	248360	"Theoretical m/z 108.960636, Mass diff 0 (0.68 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+109.06489	358466	"Theoretical m/z 109.06479, Mass diff 0 (0.92 ppm), SMILES *C(=O)C1C(C(*)*)C1(C)C, Annotation [C7H12O-3H]+, Rule of HR True"
+110.95774	222972
+112.00748	80571
+113.00092	81353	"Theoretical m/z 113.001438, Mass diff 0 (0 ppm), Formula C3HF4"
+113.01527	193389	"Theoretical m/z 113.015258, Mass diff 0 (0.11 ppm), SMILES *C(Cl)=CC(*)C(*)(C)C, Annotation [C6H11Cl-5H]+, Rule of HR True"
+115.03094	103570	"Theoretical m/z 115.030908, Mass diff 0 (0.28 ppm), SMILES *C(Cl)=CC(*)C(*)(C)C, Annotation [C6H11Cl-3H]+, Rule of HR True"
+119.06043	291199
+120.96069	114854	"Theoretical m/z 120.960634, Mass diff 0 (0.47 ppm), SMILES *C(*)C(*)C=C(Cl)Cl, Annotation [C4H6Cl2-3H]+, Rule of HR True"
+122.95774	176220
+124.9556	85831	"Theoretical m/z 124.956095, Mass diff 0 (0 ppm), Formula C3H3Cl2O"
+125.01534	365426	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+127.03094	3306818	"Theoretical m/z 127.030908, Mass diff 0 (0.25 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+128.03433	382819
+129.02795	1121039	"Theoretical m/z 129.028259, Mass diff 0 (0 ppm), Formula C4H8ClF2"
+130.03139	119634
+137.00095	144372	"Theoretical m/z 137.001438, Mass diff 0 (0 ppm), Formula C5HF4"
+137.05975	161977	"Theoretical m/z 137.060255, Mass diff 0 (0 ppm), Formula C8H9O2"
+141.02591	120028	"Theoretical m/z 141.028259, Mass diff 0.002 (0 ppm), Formula C5H8ClF2"
+143.01034	1309310	"Theoretical m/z 143.010309, Mass diff 0 (0.22 ppm), SMILES *C1=C(F)C=C(F)C(F)=C1C*, Annotation [C7H5F3-3H]+, Rule of HR True"
+144.01375	84344
+149.04486	111851
+153.01015	198105	"Theoretical m/z 153.010717, Mass diff 0 (0 ppm), Formula C8H6ClO"
+155.00717	75117	"Theoretical m/z 155.007524, Mass diff 0 (0 ppm), Formula C5H6ClF2O"
+160.99196	75411	"Theoretical m/z 160.992481, Mass diff 0 (0 ppm), Formula C7H7Cl2"
+163.01645	7489238	"Theoretical m/z 163.016544, Mass diff 0 (0.58 ppm), SMILES *CC=1C(F)=C(F)C=C(F)C1F, Annotation [C7H4F4-H]+, Rule of HR True"
+164.01984	577055
+165.00458	1073062
+166.00792	77233
+167.00162	169406
+176.99576	159450	"Theoretical m/z 176.996353, Mass diff 0 (0 ppm), Formula C7HF4O"
+189.03212	188907	"Theoretical m/z 189.032738, Mass diff 0 (0 ppm), Formula C9H5F4"
+191.00232	80325	"Theoretical m/z 191.002491, Mass diff 0 (0.89 ppm), SMILES *C(=O)C1C(C=C(Cl)Cl)C1(C)C, Annotation [C8H10Cl2O-H]+, Rule of HR True"
+243.07919	162500	"Theoretical m/z 243.079688, Mass diff 0 (0 ppm), Formula C13H11F4"
+292.99878	141189	"Theoretical m/z 292.998712, Mass diff 0 (0.23 ppm), SMILES *C(Cl)=CC(*)C(*)C(=O)OCC=1C(F)=C(F)C=C(F)C1F, Annotation [C12H9ClF4O2-3H]+, Rule of HR True"
+307.05072	95586	"Theoretical m/z 307.051281, Mass diff 0 (0 ppm), Formula C14H12ClF4O"
+335.04565	602262	"Theoretical m/z 335.045642, Mass diff 0 (0.02 ppm), SMILES *C(Cl)=CC1C(C(=O)OCC=2C(F)=C(F)C=C(F)C2F)C1(C)C, Annotation [C15H13ClF4O2-H]+, Rule of HR True"
+336.04907	95435
+337.04263	191767
+
+NAME: cis-Permethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2686.3
+PRECURSORMZ: 375.05478
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H20Cl2O3
+INCHIKEY: RLLPVAHGXHCWKJ-HKUYNNGSSA-N
+INCHI: 
+SMILES: CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)OCC1=CC=CC(OC2=CC=CC=C2)=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 35
+77.0386	122044	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04646	35948	"Theoretical m/z 78.046403, Mass diff 0 (0.73 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05428	34425	"Theoretical m/z 79.054228, Mass diff 0 (0.66 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+89.03862	174542	"Theoretical m/z 89.038575, Mass diff 0 (0.5 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-3H]+, Rule of HR True"
+90.04647	31073	"Theoretical m/z 90.046401, Mass diff 0 (0.77 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-2H]+, Rule of HR False"
+91.05429	436047	"Theoretical m/z 91.054226, Mass diff 0 (0.71 ppm), SMILES *C1=CC=CC(=C1)C*, Annotation [C7H8-H]+, Rule of HR True"
+115.05429	138131	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+127.03095	550642	"Theoretical m/z 127.030908, Mass diff 0 (0.33 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+128.06209	175988	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.02797	251794
+130.03139	31150
+139.05423	29418	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06988	37237	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+152.06201	128686
+153.06985	427458	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07765	168769
+155.06033	40228	"Theoretical m/z 155.062753, Mass diff 0.002 (0 ppm), Formula C9H12Cl"
+155.08548	351746	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.08885	39178
+163.00758	308163	"Theoretical m/z 163.007587, Mass diff 0 (0.04 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+165.00464	205199
+165.06987	430868	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07327	64548
+167.00165	29505
+168.05693	454171
+169.06032	80604
+181.06476	223111	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+182.07265	136206	"Theoretical m/z 182.072623, Mass diff 0 (0.15 ppm), SMILES *CC=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-2H]+, Rule of HR False"
+183.08038	2873350	"Theoretical m/z 183.080448, Mass diff 0 (0.37 ppm), SMILES *CC=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+184.08372	449815
+193.07593	32400	"Theoretical m/z 193.078403, Mass diff 0.002 (0 ppm), Formula C12H14Cl"
+218.04939	30618
+219.08066	36934	"Theoretical m/z 219.08099, Mass diff 0 (0 ppm), Formula C16H11O"
+225.04292	31963	"Theoretical m/z 225.04491, Mass diff 0.001 (0 ppm), Formula C9H15Cl2O2"
+255.05728	70393	"Theoretical m/z 255.057668, Mass diff 0 (0 ppm), Formula C16H12ClO"
+
+NAME: trans-Permethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2701.9
+PRECURSORMZ: 375.05478
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H20Cl2O3
+INCHIKEY: RLLPVAHGXHCWKJ-MJGOQNOKSA-N
+INCHI: 
+SMILES: CC1([C@@H]([C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 39
+77.0386	89998	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.05428	24399	"Theoretical m/z 79.054228, Mass diff 0 (0.66 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+89.03861	144267	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04646	28973	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05429	419906	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05766	39375
+93.06997	44665	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+95.04922	32163	"Theoretical m/z 95.049141, Mass diff 0 (0.83 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+108.96074	24573	"Theoretical m/z 108.960636, Mass diff 0 (0.96 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+109.06482	34539	"Theoretical m/z 109.06479, Mass diff 0 (0.27 ppm), SMILES *C(=O)C1C(C(*)*)C1(C)C, Annotation [C7H12O-3H]+, Rule of HR True"
+115.05427	152096	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.0576	22450
+119.06042	31463
+127.03095	532000	"Theoretical m/z 127.030908, Mass diff 0 (0.33 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+128.06209	151615	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.02797	244909
+130.0314	21956
+139.05424	44160	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06988	69483	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+152.06203	105191
+153.06985	358315	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07767	143242
+155.08548	264732	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.08887	42405
+163.00758	318749	"Theoretical m/z 163.007587, Mass diff 0 (0.04 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+165.00462	200413
+165.06987	357098	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07333	54206
+167.00165	36417
+168.05696	389725
+169.06036	90372
+181.06477	171677	"Theoretical m/z 181.064798, Mass diff 0 (0.15 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.07266	120269	"Theoretical m/z 182.072623, Mass diff 0 (0.2 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-2H]+, Rule of HR False"
+183.0804	2148120	"Theoretical m/z 183.080448, Mass diff 0 (0.26 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+184.08377	342251
+185.08702	25043
+193.07596	31093	"Theoretical m/z 193.078403, Mass diff 0.002 (0 ppm), Formula C12H14Cl"
+219.08066	22534	"Theoretical m/z 219.08099, Mass diff 0 (0 ppm), Formula C16H11O"
+255.0573	44634	"Theoretical m/z 255.057668, Mass diff 0 (0 ppm), Formula C16H12ClO"
+
+NAME: cis-Allethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2071.8
+PRECURSORMZ: 285.00964
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H26O3
+INCHIKEY: ZCVAOQKBXKSDMS-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 51
+77.03857	28189	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04641	3627	"Theoretical m/z 78.046398, Mass diff 0 (0.15 ppm), SMILES *C(=C(*)CC=C)C, Annotation [C6H10-4H]+, Rule of HR False"
+79.05422	114084	"Theoretical m/z 79.054223, Mass diff 0 (0.04 ppm), SMILES *C(=C(*)CC=C)C, Annotation [C6H10-3H]+, Rule of HR True"
+80.05756	7447
+80.91576	5079
+81.06988	167646	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07324	15296
+83.0855	5395	"Theoretical m/z 83.085524, Mass diff 0 (0.28 ppm), SMILES *C(=C(*)CC=C)C, Annotation [C6H10+H]+, Rule of HR True"
+91.05424	44509	"Theoretical m/z 91.054229, Mass diff 0 (0.12 ppm), SMILES *C(=C(C)C(*)*)CC=C, Annotation [C7H12-5H]+, Rule of HR True"
+92.06205	7027	"Theoretical m/z 92.062054, Mass diff 0 (0.04 ppm), SMILES *C(=C(C)C(*)*)CC=C, Annotation [C7H12-4H]+, Rule of HR False"
+93.0699	41981	"Theoretical m/z 93.069879, Mass diff 0 (0.23 ppm), SMILES *C(=C(C)C(*)*)CC=C, Annotation [C7H12-3H]+, Rule of HR True"
+94.04133	7185	"Theoretical m/z 94.041313, Mass diff 0 (0.18 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08552	41118	"Theoretical m/z 95.085529, Mass diff 0 (0.09 ppm), SMILES *C(=C(C)C(*)*)CC=C, Annotation [C7H12-H]+, Rule of HR True"
+96.08888	4779
+97.1012	8812	"Theoretical m/z 97.101179, Mass diff 0 (0.22 ppm), SMILES *C(=C(C)C(*)*)CC=C, Annotation [C7H12+H]+, Rule of HR True"
+104.06192	2446	"Theoretical m/z 104.062052, Mass diff 0 (1.27 ppm), SMILES *C(=C(C)C(*)C*)CC=C, Annotation [C8H14-6H]+, Rule of HR False"
+105.06988	26241	"Theoretical m/z 105.069877, Mass diff 0 (0.03 ppm), SMILES *C(=C(C)C(*)C*)CC=C, Annotation [C8H14-5H]+, Rule of HR True"
+106.07774	3017	"Theoretical m/z 106.077702, Mass diff 0 (0.36 ppm), SMILES *C(=C(C)C(*)C*)CC=C, Annotation [C8H14-4H]+, Rule of HR False"
+107.08551	15735	"Theoretical m/z 107.085527, Mass diff 0 (0.16 ppm), SMILES *C(=C(C)C(*)C*)CC=C, Annotation [C8H14-3H]+, Rule of HR True"
+108.05694	20025	"Theoretical m/z 108.056967, Mass diff 0 (0.25 ppm), SMILES *C(=O)C(=C(*)C)CC=C, Annotation [C7H10O-2H]+, Rule of HR False"
+109.10114	7918	"Theoretical m/z 109.101175, Mass diff 0 (0.32 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+111.04401	2981	"Theoretical m/z 111.044056, Mass diff 0 (0.41 ppm), SMILES *OC1C(=C(*)C(=O)C1)C, Annotation [C6H8O2-H]+, Rule of HR True"
+111.11678	5504	"Theoretical m/z 111.116825, Mass diff 0 (0.4 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-H]+, Rule of HR True"
+116.06206	2359	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+119.08556	7810	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.06475	17662	"Theoretical m/z 121.06479, Mass diff 0 (0.33 ppm), SMILES *C(=C(C(=O)C*)CC=C)C, Annotation [C8H12O-3H]+, Rule of HR True"
+122.06799	2713
+123.11676	161507	"Theoretical m/z 123.116825, Mass diff 0 (0.53 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12018	16329
+125.0596	5034	"Theoretical m/z 125.059703, Mass diff 0 (0.83 ppm), SMILES *OC1C(=C(C(=O)C1)C*)C, Annotation [C7H10O2-H]+, Rule of HR True"
+128.06195	4120	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+130.07761	2114
+133.06482	5107	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+134.07256	3275	"Theoretical m/z 134.072623, Mass diff 0 (0.47 ppm), SMILES *C1C(=C(C(=O)C1)CC=C)C, Annotation [C9H12O-2H]+, Rule of HR False"
+135.08032	5794	"Theoretical m/z 135.080448, Mass diff 0 (0.95 ppm), SMILES *C1C(=C(C(=O)C1)CC=C)C, Annotation [C9H12O-H]+, Rule of HR True"
+136.08823	33292	"Theoretical m/z 136.088273, Mass diff 0 (0.31 ppm), SMILES *C1C(=C(C(=O)C1)CC=C)C, Annotation [C9H12O]+, Rule of HR False"
+137.09152	6315
+149.13231	2844	"Theoretical m/z 149.133026, Mass diff 0 (0 ppm), Formula C11H17"
+150.04417	5103
+153.09084	12718	"Theoretical m/z 153.091001, Mass diff 0 (1.05 ppm), SMILES *OC1C(=C(C(=O)C1)CC=C)C, Annotation [C9H12O2+H]+, Rule of HR True"
+168.11429	5728
+193.04967	3075
+210.01076	3623
+221.08417	4618
+223.06361	4912
+240.09386	3075
+252.98322	1767
+285.00964	7726
+326.96594	1685
+356.06967	6731
+417.03497	1843
+
+NAME: trans-Allethrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2075.1
+PRECURSORMZ: 301.05789
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H26O3
+INCHIKEY: ZCVAOQKBXKSDMS-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 47
+77.03854	47154	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04639	11001	"Theoretical m/z 78.046398, Mass diff 0 (0.11 ppm), SMILES *C(=C(*)CC=C)C, Annotation [C6H10-4H]+, Rule of HR False"
+79.05421	185043	"Theoretical m/z 79.054223, Mass diff 0 (0.17 ppm), SMILES *C(=C(*)CC=C)C, Annotation [C6H10-3H]+, Rule of HR True"
+80.05749	14070
+80.91573	3163
+81.06986	245694	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.0732	16380
+83.08545	3569	"Theoretical m/z 83.085524, Mass diff 0 (0.88 ppm), SMILES *C(=C(*)CC=C)C, Annotation [C6H10+H]+, Rule of HR True"
+91.05421	117345	"Theoretical m/z 91.054229, Mass diff 0 (0.21 ppm), SMILES *C(=C(C)C(*)*)CC=C, Annotation [C7H12-5H]+, Rule of HR True"
+92.05756	10904
+93.06988	65191	"Theoretical m/z 93.069879, Mass diff 0 (0.01 ppm), SMILES *C(=C(C)C(*)*)CC=C, Annotation [C7H12-3H]+, Rule of HR True"
+94.04131	10420	"Theoretical m/z 94.041313, Mass diff 0 (-0.03 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.0855	63316	"Theoretical m/z 95.085529, Mass diff 0 (0.3 ppm), SMILES *C(=C(C)C(*)*)CC=C, Annotation [C7H12-H]+, Rule of HR True"
+96.08887	6089
+103.05421	4124	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06985	33523	"Theoretical m/z 105.069877, Mass diff 0 (0.25 ppm), SMILES *C(=C(C)C(*)C*)CC=C, Annotation [C8H14-5H]+, Rule of HR True"
+106.07327	6329
+107.08549	34703	"Theoretical m/z 107.085527, Mass diff 0 (0.34 ppm), SMILES *C(=C(C)C(*)C*)CC=C, Annotation [C8H14-3H]+, Rule of HR True"
+108.05691	31851	"Theoretical m/z 108.056967, Mass diff 0 (0.53 ppm), SMILES *C(=O)C(=C(*)C)CC=C, Annotation [C7H10O-2H]+, Rule of HR False"
+109.10116	10746	"Theoretical m/z 109.101175, Mass diff 0 (0.13 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+111.04398	3585	"Theoretical m/z 111.044056, Mass diff 0 (0.68 ppm), SMILES *OC1C(=C(*)C(=O)C1)C, Annotation [C6H8O2-H]+, Rule of HR True"
+111.11684	3119	"Theoretical m/z 111.116825, Mass diff 0 (0.14 ppm), SMILES *C(C=C(C)C)C(*)(C)C, Annotation [C8H16-H]+, Rule of HR True"
+115.05418	3425	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.04904	8690	"Theoretical m/z 119.049142, Mass diff 0 (0.86 ppm), SMILES *C1=C(C(=O)CC1*)CC=C, Annotation [C8H10O-3H]+, Rule of HR True"
+121.06473	30147	"Theoretical m/z 121.06479, Mass diff 0 (0.5 ppm), SMILES *C(=C(C(=O)C*)CC=C)C, Annotation [C8H12O-3H]+, Rule of HR True"
+122.10892	4851
+123.11674	260756	"Theoretical m/z 123.116825, Mass diff 0 (0.69 ppm), SMILES *C1C(C=C(C)C)C1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.12011	26556
+125.05964	7241	"Theoretical m/z 125.059703, Mass diff 0 (0.51 ppm), SMILES *OC1C(=C(C(=O)C1)C*)C, Annotation [C7H10O2-H]+, Rule of HR True"
+133.06473	5951	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+135.08037	3383	"Theoretical m/z 135.080448, Mass diff 0 (0.58 ppm), SMILES *C1C(=C(C(=O)C1)CC=C)C, Annotation [C9H12O-H]+, Rule of HR True"
+136.08816	55709	"Theoretical m/z 136.088273, Mass diff 0 (0.83 ppm), SMILES *C1C(=C(C(=O)C1)CC=C)C, Annotation [C9H12O]+, Rule of HR False"
+137.09142	7685
+139.11165	3724	"Theoretical m/z 139.111738, Mass diff 0 (0.63 ppm), SMILES *C(=O)C1C(C=C(C)C)C1(*)C, Annotation [C9H14O+H]+, Rule of HR True"
+153.09082	21039	"Theoretical m/z 153.091001, Mass diff 0 (1.19 ppm), SMILES *OC1C(=C(C(=O)C1)CC=C)C, Annotation [C9H12O2+H]+, Rule of HR True"
+154.0775	3701
+165.06969	2825	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.05522	4493
+168.11432	8785
+209.01143	3741
+221.08417	3143
+227.02193	3590
+237.16348	3050	"Theoretical m/z 237.164326, Mass diff 0 (0 ppm), Formula C18H21"
+281.05087	4505
+285.00961	6199
+355.06961	4563
+359.02817	5503
+
+NAME: cis-Cypermethrin_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2809.3
+PRECURSORMZ: 415.03662
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H19Cl2NO3
+INCHIKEY: KAATUXNTWXVJKI-NSHGMRRFSA-N
+INCHI: 
+SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 80
+71.08553	9519	"Theoretical m/z 71.085524, Mass diff 0 (0.09 ppm), SMILES *C1C(*)C1(C)C, Annotation [C5H10+H]+, Rule of HR True"
+73.0468	6543
+75.02607	13304
+76.03078	5603
+77.03856	50472	"Theoretical m/z 77.038578, Mass diff 0 (0.23 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04641	10999	"Theoretical m/z 78.046403, Mass diff 0 (0.09 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05423	85538	"Theoretical m/z 79.054228, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.06203	4496	"Theoretical m/z 80.062054, Mass diff 0 (0.3 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-4H]+, Rule of HR False"
+81.0699	16871	"Theoretical m/z 81.069878, Mass diff 0 (0.28 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.0777	6905	"Theoretical m/z 82.077704, Mass diff 0 (0.05 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-2H]+, Rule of HR False"
+83.08553	8188	"Theoretical m/z 83.085529, Mass diff 0 (0.01 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-H]+, Rule of HR True"
+84.98397	4436	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+89.03857	6375	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05425	23828	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06205	17591	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06992	48544	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.07774	72686	"Theoretical m/z 94.07825, Mass diff 0 (0 ppm), Formula C7H10"
+95.08554	20713	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+96.08881	5993
+97.10124	5001	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+99.11686	4058	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+103.05421	5792	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06992	15398	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.08553	13278	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+115.05421	32285	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04942	19272	"Theoretical m/z 116.049472, Mass diff 0 (0.45 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+119.0855	4808	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+123.11676	7641	"Theoretical m/z 123.117375, Mass diff 0 (0 ppm), Formula C9H15"
+125.01533	5886	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+127.03088	102233	"Theoretical m/z 127.030908, Mass diff 0 (0.22 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+128.062	22950	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.02791	11900
+135.1167	7001	"Theoretical m/z 135.116821, Mass diff 0 (-0.9 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+140.04935	5764	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+141.06984	35669	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07774	5538
+145.10089	7786	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+147.06545	12140
+151.02405	6605
+152.06197	36771
+153.00331	6812
+153.06972	33055	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+155.06033	4182	"Theoretical m/z 155.062753, Mass diff 0.002 (0 ppm), Formula C9H12Cl"
+163.00751	51893	"Theoretical m/z 163.007587, Mass diff 0 (0.47 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+164.01082	5093
+165.00455	23021
+165.06975	6434	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.00156	7461	"Theoretical m/z 167.003045, Mass diff 0.001 (0 ppm), Formula C6H9Cl2O"
+169.06454	26034	"Theoretical m/z 169.064792, Mass diff 0 (1.49 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+170.06796	4715
+172.99597	39000
+173.94968	5611	"Theoretical m/z 173.951344, Mass diff 0.001 (0 ppm), Formula C6H2Cl2NO"
+174.99385	20628	"Theoretical m/z 174.995067, Mass diff 0.001 (0 ppm), Formula C10H4ClO"
+178.0649	12688	"Theoretical m/z 178.062994, Mass diff -0.002 (0 ppm), Formula C10H10O3"
+179.06033	5617	"Theoretical m/z 179.062753, Mass diff 0.002 (0 ppm), Formula C11H12Cl"
+180.08066	33155	"Theoretical m/z 180.08078, Mass diff 0 (-0.67 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06467	392954	"Theoretical m/z 181.064798, Mass diff 0 (0.71 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06804	43407
+192.98001	5461
+194.99583	4050
+197.05963	14743	"Theoretical m/z 197.059701, Mass diff 0 (0.36 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.95419	3943
+206.05998	27828	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.03224	23960	"Theoretical m/z 207.034345, Mass diff 0.002 (0 ppm), Formula C9H13Cl2O"
+207.10181	17154	"Theoretical m/z 207.102119, Mass diff 0 (0 ppm), Formula C12H15O3"
+208.07565	23728	"Theoretical m/z 208.075687, Mass diff 0 (0.18 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO-H]+, Rule of HR True"
+209.01155	12704
+209.08348	70404	"Theoretical m/z 209.083512, Mass diff 0 (0.15 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO]+, Rule of HR False"
+210.08675	12542
+214.98561	4107
+221.0843	5177	"Theoretical m/z 221.086381, Mass diff 0.002 (0 ppm), Formula C11H19Cl2"
+223.06351	6795	"Theoretical m/z 223.062781, Mass diff 0.001 (3.27 ppm), SMILES *OC(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO2-2H]+, Rule of HR False"
+225.04283	4609	"Theoretical m/z 225.04491, Mass diff 0.002 (0 ppm), Formula C9H15Cl2O2"
+226.04163	5544	"Theoretical m/z 226.042352, Mass diff 0 (0 ppm), Formula C14H9ClN"
+265.01968	5158	"Theoretical m/z 265.018695, Mass diff -0.002 (0 ppm), Formula C14H11Cl2O"
+266.01938	4396
+281.05102	7803	"Theoretical m/z 281.049995, Mass diff -0.002 (0 ppm), Formula C15H15Cl2O"
+285.00958	40974	"Theoretical m/z 285.010717, Mass diff 0.001 (0 ppm), Formula C19H6ClO"
+301.05817	4633	"Theoretical m/z 301.055081, Mass diff -0.004 (0 ppm), Formula C18H15Cl2"
+355.06967	4065	"Theoretical m/z 355.065646, Mass diff -0.005 (0 ppm), Formula C21H17Cl2O"
+
+NAME: trans-Cypermethrin_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2817.3
+PRECURSORMZ: 402.05316
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H19Cl2NO3
+INCHIKEY: KAATUXNTWXVJKI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 72
+73.04679	3509
+74.01511	2261	"Theoretical m/z 74.015103, Mass diff 0 (0.1 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02609	2869
+76.03075	3016	"Theoretical m/z 76.030753, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03857	16047	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.05424	7453	"Theoretical m/z 79.054228, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.06206	2388	"Theoretical m/z 80.062054, Mass diff 0 (0.08 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-4H]+, Rule of HR False"
+81.06988	2519	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.08549	7231	"Theoretical m/z 83.085529, Mass diff 0 (0.47 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-H]+, Rule of HR True"
+84.9839	1955	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+88.03084	2517	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03854	3574	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05425	101230	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06207	9216	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06989	9131	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+95.08554	4709	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.10115	2066	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+103.05426	2120	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.0699	3128	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+108.96059	5691	"Theoretical m/z 108.960636, Mass diff 0 (0.42 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+109.1012	12494	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+110.95766	3904
+111.11688	4360	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+114.03378	8329	"Theoretical m/z 114.033822, Mass diff 0 (0.37 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05421	10458	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04945	10456	"Theoretical m/z 116.049472, Mass diff 0 (0.19 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+119.08559	8639	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+125.01535	4442	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+127.03088	134997	"Theoretical m/z 127.030908, Mass diff 0 (0.22 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+127.14812	1974	"Theoretical m/z 127.148676, Mass diff 0 (0 ppm), Formula C9H19"
+128.06206	14550	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.02791	44678
+139.05418	5345	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06978	13197	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07317	2650
+151.024	6578
+152.06195	34139
+153.00328	2060
+153.06969	19302	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07759	3718
+155.08546	1757	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+163.00752	74164	"Theoretical m/z 163.007587, Mass diff 0 (0.41 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+164.01102	4619
+165.00453	45763
+167.00159	8144
+167.05534	8536
+168.05722	8969	"Theoretical m/z 168.056967, Mass diff 0 (1.5 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-2H]+, Rule of HR False"
+169.03461	12391
+171.01372	3002
+178.07736	1802	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.05977	1728	"Theoretical m/z 179.062753, Mass diff 0.002 (0 ppm), Formula C11H12Cl"
+180.08063	25663	"Theoretical m/z 180.08078, Mass diff 0 (-0.83 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06464	155107	"Theoretical m/z 181.064798, Mass diff 0 (0.87 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06812	22920
+183.08025	2917	"Theoretical m/z 183.080448, Mass diff 0 (1.08 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-H]+, Rule of HR True"
+184.0881	1895	"Theoretical m/z 184.088273, Mass diff 0 (0.94 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O]+, Rule of HR False"
+190.06461	1757	"Theoretical m/z 190.062994, Mass diff -0.002 (0 ppm), Formula C11H10O3"
+197.05956	5178	"Theoretical m/z 197.059701, Mass diff 0 (0.72 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+206.06014	12266	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.03224	2283	"Theoretical m/z 207.034345, Mass diff 0.002 (0 ppm), Formula C9H13Cl2O"
+207.10194	5075	"Theoretical m/z 207.102119, Mass diff 0 (0 ppm), Formula C12H15O3"
+208.03134	6571	"Theoretical m/z 208.029594, Mass diff -0.002 (0 ppm), Formula C8H12Cl2NO"
+209.01152	2267
+209.08368	31139
+210.08688	4182
+227.02203	19844	"Theoretical m/z 227.024175, Mass diff 0.002 (0 ppm), Formula C8H13Cl2O3"
+241.09155	2702
+251.85982	2059
+265.0199	4373	"Theoretical m/z 265.018695, Mass diff -0.002 (0 ppm), Formula C14H11Cl2O"
+266.01984	2284
+299.06152	3833
+355.06976	2155	"Theoretical m/z 355.065646, Mass diff -0.005 (0 ppm), Formula C21H17Cl2O"
+
+NAME: cis-Cypermethrin_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2831.8
+PRECURSORMZ: 415.03766
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H19Cl2NO3
+INCHIKEY: KAATUXNTWXVJKI-NSHGMRRFSA-N
+INCHI: 
+SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 95
+75.02606	2479
+76.03075	5060	"Theoretical m/z 76.030753, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03857	30262	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.05425	9764	"Theoretical m/z 79.054228, Mass diff 0 (0.28 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+79.92562	2559
+80.91579	3733
+81.0699	2274	"Theoretical m/z 81.069878, Mass diff 0 (0.28 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07768	2193	"Theoretical m/z 82.077704, Mass diff 0 (0.29 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-2H]+, Rule of HR False"
+88.03082	4924	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03859	7018	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05426	40841	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05766	8519
+93.06996	7515	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+97.10124	3178	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+98.03635	2416
+108.96067	5015	"Theoretical m/z 108.960636, Mass diff 0 (0.31 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+109.10117	10180	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+110.10908	2219
+110.95767	3711
+111.11683	3690	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+113.03851	2012	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.03384	7723	"Theoretical m/z 114.033822, Mass diff 0 (0.15 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.03095	4045	"Theoretical m/z 115.030908, Mass diff 0 (0.37 ppm), SMILES *C(Cl)=CC(*)C(*)(C)C, Annotation [C6H11Cl-3H]+, Rule of HR True"
+116.04947	10707	"Theoretical m/z 116.049472, Mass diff 0 (0.02 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+118.99786	1934
+119.08545	10171	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.97701	5015
+123.11667	2746	"Theoretical m/z 123.117375, Mass diff 0 (0 ppm), Formula C9H15"
+127.03088	116149	"Theoretical m/z 127.030908, Mass diff 0 (0.22 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+128.06203	15531	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.02792	39836
+130.07767	2397
+131.04927	5666	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+131.08554	6570	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+133.01347	3152
+135.06244	1804
+139.05424	5494	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+142.07771	3623
+146.93837	1912
+149.04478	6348
+153.00304	2845
+153.06978	29359	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+155.0855	7731	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.03806	2969
+163.00751	67781	"Theoretical m/z 163.007587, Mass diff 0 (0.47 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+164.01086	4341
+165.00459	47240
+166.00784	2732
+167.00146	5586
+168.05701	9867	"Theoretical m/z 168.056967, Mass diff 0 (0.25 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-2H]+, Rule of HR False"
+171.95164	3433
+178.06509	5988	"Theoretical m/z 178.062994, Mass diff -0.003 (0 ppm), Formula C10H10O3"
+178.96446	2215	"Theoretical m/z 178.96666, Mass diff 0.002 (0 ppm), Formula C6H5Cl2O2"
+179.06035	4485	"Theoretical m/z 179.062753, Mass diff 0.002 (0 ppm), Formula C11H12Cl"
+180.08069	22605	"Theoretical m/z 180.08078, Mass diff 0 (-0.5 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+180.98021	2986	"Theoretical m/z 180.98231, Mass diff 0.002 (0 ppm), Formula C6H7Cl2O2"
+181.06468	170043	"Theoretical m/z 181.064798, Mass diff 0 (0.65 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06808	3574
+191.00093	6119
+192.00035	3319	"Theoretical m/z 192, Mass diff -0.001 (0 ppm), Formula C16"
+193.04985	2668
+194.99602	3895
+196.97522	2164	"Theoretical m/z 196.977224, Mass diff 0.001 (0 ppm), Formula C6H7Cl2O3"
+197.05966	14805	"Theoretical m/z 197.059701, Mass diff 0 (0.21 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+197.97456	2704	"Theoretical m/z 197.974666, Mass diff 0 (0 ppm), Formula C11HClNO"
+198.06744	4705	"Theoretical m/z 198.067526, Mass diff 0 (0.44 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-2H]+, Rule of HR False"
+207.03229	40969	"Theoretical m/z 207.034345, Mass diff 0.002 (0 ppm), Formula C9H13Cl2O"
+207.1019	12659	"Theoretical m/z 207.102119, Mass diff 0 (0 ppm), Formula C12H15O3"
+208.03154	12792
+209.01154	9948
+209.08345	26375	"Theoretical m/z 209.083512, Mass diff 0 (0.3 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO]+, Rule of HR False"
+210.08666	2158
+211.06046	6684
+222.08366	2552	"Theoretical m/z 222.08163, Mass diff -0.003 (0 ppm), Formula C10H18Cl2N"
+223.0634	4123	"Theoretical m/z 223.062781, Mass diff 0.001 (2.78 ppm), SMILES *OC(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO2-2H]+, Rule of HR False"
+228.02101	3223	"Theoretical m/z 228.021617, Mass diff 0 (0 ppm), Formula C13H7ClNO"
+248.98839	2886	"Theoretical m/z 248.987395, Mass diff -0.002 (0 ppm), Formula C13H7Cl2O"
+250.96756	3242	"Theoretical m/z 250.968853, Mass diff 0.001 (0 ppm), Formula C18Cl"
+265.01987	2606	"Theoretical m/z 265.018695, Mass diff -0.002 (0 ppm), Formula C14H11Cl2O"
+266.01932	2399
+281.05106	13683	"Theoretical m/z 281.049995, Mass diff -0.002 (0 ppm), Formula C15H15Cl2O"
+282.04999	6076
+295.10315	2243
+301.05823	1745	"Theoretical m/z 301.055081, Mass diff -0.004 (0 ppm), Formula C18H15Cl2"
+302.05862	3225	"Theoretical m/z 302.057855, Mass diff 0.001 (2.53 ppm), SMILES *OC1=CC=CC(=C1)C(C#N)OC(=O)C2C(C=C(*)Cl)C2(C)C, Annotation [C16H16ClNO3-3H]+, Rule of HR True"
+341.01758	4932	"Theoretical m/z 341.01361, Mass diff -0.005 (0 ppm), Formula C19H11Cl2O2"
+355.06979	3015	"Theoretical m/z 355.065646, Mass diff -0.005 (0 ppm), Formula C21H17Cl2O"
+356.06943	2705
+361.02551	1956	"Theoretical m/z 361.018695, Mass diff -0.007 (0 ppm), Formula C22H11Cl2O"
+415.03766	2093
+415.10611	2925
+416.03723	1940
+418.99466	1995
+429.08844	5174
+489.12549	1773
+
+NAME: trans-Cypermethrin_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2841.7
+PRECURSORMZ: 415.03699
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H19Cl2NO3
+INCHIKEY: KAATUXNTWXVJKI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 141
+70.07774	387	"Theoretical m/z 70.077698, Mass diff 0 (0.59 ppm), SMILES *C1C(*)C1(C)C, Annotation [C5H10]+, Rule of HR False"
+73.0284	1680	"Theoretical m/z 73.028954, Mass diff 0 (0 ppm), Formula C3H5O2"
+74.01511	790	"Theoretical m/z 74.015103, Mass diff 0 (0.1 ppm), SMILES *C1=CC=CC(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02606	2066
+76.03075	830
+77.03857	6113	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04643	2696	"Theoretical m/z 78.046403, Mass diff 0 (0.35 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.05423	4449	"Theoretical m/z 79.054228, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+80.06201	907	"Theoretical m/z 80.062054, Mass diff 0 (0.55 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-4H]+, Rule of HR False"
+80.91578	1713
+81.06991	3076	"Theoretical m/z 81.069878, Mass diff 0 (0.4 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+81.92355	1232
+84.09341	644	"Theoretical m/z 84.093354, Mass diff 0 (0.67 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12]+, Rule of HR False"
+87.04411	2008	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+89.03859	1487	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05426	28205	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06204	2611	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06991	3649	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04135	3047	"Theoretical m/z 94.041313, Mass diff 0 (0.39 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08554	4562	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+96.08891	1586
+100.05191	378	"Theoretical m/z 100.051878, Mass diff 0 (0.32 ppm), SMILES *OC(=O)C(*)C(*)(C)C, Annotation [C5H10O2-2H]+, Rule of HR False"
+102.04644	789	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+104.062	1408	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06989	4722	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07782	885	"Theoretical m/z 106.07825, Mass diff 0 (0 ppm), Formula C8H10"
+107.04913	12008	"Theoretical m/z 107.049141, Mass diff 0 (-0.1 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.96064	1208	"Theoretical m/z 108.960636, Mass diff 0 (0.04 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+109.10128	5701	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+114.03393	2279	"Theoretical m/z 114.033822, Mass diff 0 (0.94 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-3H]+, Rule of HR True"
+115.05424	7598	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04948	6013	"Theoretical m/z 116.049472, Mass diff 0 (0.06 ppm), SMILES *C1=CC=CC(=C1)C(*)C#N, Annotation [C8H7N-H]+, Rule of HR True"
+117.01867	700
+117.06986	3548	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.07323	2268
+119.08559	3319	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.05701	1622	"Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O"
+121.06468	985	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+126.04633	954
+127.03089	37317	"Theoretical m/z 127.030908, Mass diff 0 (0.14 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+128.062	4431	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.02788	13118
+130.07761	978
+131.08556	1414	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+133.01355	810
+133.06482	3957	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+135.11687	864	"Theoretical m/z 135.116821, Mass diff 0 (0.36 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+137.0085	715
+137.13235	1233	"Theoretical m/z 137.133026, Mass diff 0 (0 ppm), Formula C10H17"
+138.98779	429
+139.05421	2414	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+140.06206	821
+141.06982	12231	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07777	2574
+143.08553	2508	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+145.10126	1539	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+147.06552	1339	"Theoretical m/z 147.068414, Mass diff 0.002 (0 ppm), Formula C9H9NO"
+147.11678	701	"Theoretical m/z 147.117375, Mass diff 0 (0 ppm), Formula C11H15"
+149.13258	730	"Theoretical m/z 149.133026, Mass diff 0 (0 ppm), Formula C11H17"
+150.0444	755
+151.02403	1825
+152.06195	8863
+153.06984	7239	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07762	1360
+154.98247	1118
+155.0603	2595	"Theoretical m/z 155.062753, Mass diff 0.002 (0 ppm), Formula C9H12Cl"
+155.08553	3869	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.09312	594
+157.04588	15151
+161.13261	771	"Theoretical m/z 161.133026, Mass diff 0 (0 ppm), Formula C12H17"
+163.00749	21020	"Theoretical m/z 163.007587, Mass diff 0 (0.6 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+163.05417	1652	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+163.14807	1346	"Theoretical m/z 163.148676, Mass diff 0 (0 ppm), Formula C12H19"
+164.01065	799
+164.94879	3281
+165.00453	11706
+165.06973	2089	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+165.16365	416
+167.00172	2043
+168.0571	4927	"Theoretical m/z 168.056967, Mass diff 0 (0.79 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-2H]+, Rule of HR False"
+169.03462	9278
+169.06461	9382	"Theoretical m/z 169.064792, Mass diff 0 (1.08 ppm), SMILES *C1=CC=CC(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+171.95175	1742
+173.1324	479	"Theoretical m/z 173.133026, Mass diff 0 (0 ppm), Formula C13H17"
+175.14815	531	"Theoretical m/z 175.148676, Mass diff 0 (0 ppm), Formula C13H19"
+179.08539	789	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.08069	6679	"Theoretical m/z 180.08078, Mass diff 0 (-0.5 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.06468	35788	"Theoretical m/z 181.064798, Mass diff 0 (0.65 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O-3H]+, Rule of HR True"
+182.06798	5706
+184.0332	3314	"Theoretical m/z 184.029594, Mass diff -0.004 (0 ppm), Formula C6H12Cl2NO"
+184.08801	3326	"Theoretical m/z 184.088273, Mass diff 0 (1.43 ppm), SMILES *C(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O]+, Rule of HR False"
+191.00099	1197
+192.00058	453
+193.97964	420	"Theoretical m/z 193.979752, Mass diff 0 (0 ppm), Formula C12HClN"
+195.99545	829	"Theoretical m/z 195.995402, Mass diff -0.001 (0 ppm), Formula C12H3ClN"
+196.9751	3226	"Theoretical m/z 196.977224, Mass diff 0.002 (0 ppm), Formula C6H7Cl2O3"
+197.05962	5945	"Theoretical m/z 197.059701, Mass diff 0 (0.41 ppm), SMILES *OC(*)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.95433	3122
+199.0928	6009	"Theoretical m/z 199.088968, Mass diff -0.004 (0 ppm), Formula C11H16ClO"
+201.03603	450	"Theoretical m/z 201.03404, Mass diff -0.003 (0 ppm), Formula C15H5O"
+201.16351	589
+202.07754	644
+206.05988	6096	"Theoretical m/z 206.060589, Mass diff 0 (0 ppm), Formula C14H8NO"
+207.10191	1505	"Theoretical m/z 207.102119, Mass diff 0 (0 ppm), Formula C12H15O3"
+208.03139	1951	"Theoretical m/z 208.029594, Mass diff -0.002 (0 ppm), Formula C8H12Cl2NO"
+209.01154	747
+209.08369	18868	"Theoretical m/z 209.083512, Mass diff 0 (0.85 ppm), SMILES *C(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO]+, Rule of HR False"
+210.08688	3123
+212.98785	2222	"Theoretical m/z 212.987395, Mass diff -0.001 (0 ppm), Formula C10H7Cl2O"
+213.04038	1102
+214.98572	1209	"Theoretical m/z 214.989982, Mass diff 0.004 (0 ppm), Formula C12H4ClO2"
+225.04286	13505	"Theoretical m/z 225.04491, Mass diff 0.002 (0 ppm), Formula C9H15Cl2O2"
+225.07803	4373	"Theoretical m/z 225.078431, Mass diff 0 (1.78 ppm), SMILES *OC(C#N)C=1C=CC=C(OC=2C=CC=CC2)C1, Annotation [C14H11NO2]+, Rule of HR False"
+226.04179	2950
+228.021	1588	"Theoretical m/z 228.021617, Mass diff 0 (0 ppm), Formula C13H7ClNO"
+248.98802	2700	"Theoretical m/z 248.987395, Mass diff -0.001 (0 ppm), Formula C13H7Cl2O"
+266.01968	462	"Theoretical m/z 266.024203, Mass diff 0.004 (0 ppm), Formula C18H4NO2"
+266.99912	1961	"Theoretical m/z 267.000153, Mass diff 0 (0 ppm), Formula C19H4Cl"
+267.99829	1626
+268.97855	2959	"Theoretical m/z 268.979417, Mass diff 0 (0 ppm), Formula C18H2ClO"
+271.02768	687	"Theoretical m/z 271.02926, Mass diff 0.001 (0 ppm), Formula C13H13Cl2O2"
+279.07223	434	"Theoretical m/z 279.070731, Mass diff -0.002 (0 ppm), Formula C16H17Cl2"
+281.05112	1462	"Theoretical m/z 281.049995, Mass diff -0.002 (0 ppm), Formula C15H15Cl2O"
+283.03046	2330	"Theoretical m/z 283.031453, Mass diff 0 (0 ppm), Formula C20H8Cl"
+284.02988	1692
+285.00964	587	"Theoretical m/z 285.010717, Mass diff 0.001 (0 ppm), Formula C19H6ClO"
+285.07953	1070	"Theoretical m/z 285.081296, Mass diff 0.001 (0 ppm), Formula C15H19Cl2O"
+286.00906	475
+295.10303	2431
+324.98648	1980	"Theoretical m/z 324.98231, Mass diff -0.005 (0 ppm), Formula C18H7Cl2O2"
+326.96594	1368	"Theoretical m/z 326.961574, Mass diff -0.005 (0 ppm), Formula C17H5Cl2O3"
+327.03546	724	"Theoretical m/z 327.034345, Mass diff -0.002 (0 ppm), Formula C19H13Cl2O"
+339.03839	687
+342.99686	985	"Theoretical m/z 342.992875, Mass diff -0.005 (0 ppm), Formula C18H9Cl2O3"
+357.0661	2511
+359.02835	3686
+361.02506	1599	"Theoretical m/z 361.018695, Mass diff -0.007 (0 ppm), Formula C22H11Cl2O"
+400.98431	928
+415.03699	1393
+416.10632	913
+491.12134	551
+
+NAME: cis-Cyfluthrin_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2764.2
+PRECURSORMZ: 401.0545
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H18Cl2FNO3
+INCHIKEY: QQODLKZGRKWIFG-QSFXBCCZSA-N
+INCHI: 
+SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 66
+74.01516	3085	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02612	5837
+77.03863	3309	"Theoretical m/z 77.038578, Mass diff 0 (0.68 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04647	7019	"Theoretical m/z 78.046403, Mass diff 0 (0.86 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+78.91786	2764
+83.08559	5681	"Theoretical m/z 83.085529, Mass diff 0 (0.73 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-H]+, Rule of HR True"
+84.98397	3372	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+87.04411	2496
+89.03864	2790	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05431	104071	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05766	13388
+93.06998	6598	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+93.9414	2724
+94.0414	10717	"Theoretical m/z 94.041313, Mass diff 0 (0.92 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+104.06209	2446	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+107.04917	5222	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+107.08559	5580	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+108.09358	2718	"Theoretical m/z 108.0939, Mass diff 0 (0 ppm), Formula C8H12"
+108.96073	2148	"Theoretical m/z 108.960636, Mass diff 0 (0.86 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+115.05425	3744	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.08551	7665	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.05713	2961	"Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O"
+125.01531	2376	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+127.03095	113874	"Theoretical m/z 127.030908, Mass diff 0 (0.33 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+129.02802	38935
+135.0625	2059	"Theoretical m/z 135.061003, Mass diff -0.002 (0 ppm), Formula C9H8F"
+139.05424	6908	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+149.04491	4342
+151.02414	13757
+152.06206	4237	"Theoretical m/z 152.06423, Mass diff 0.002 (0 ppm), Formula C6H12ClFN"
+159.06033	2846	"Theoretical m/z 159.061003, Mass diff 0 (0 ppm), Formula C11H8F"
+161.13252	2200	"Theoretical m/z 161.133026, Mass diff 0 (0 ppm), Formula C12H17"
+163.00761	69958	"Theoretical m/z 163.007587, Mass diff 0 (0.14 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+164.01088	3431
+165.00465	35079
+166.07758	1999	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+169.03467	11647
+169.06454	10267	"Theoretical m/z 169.064792, Mass diff 0 (1.49 ppm), SMILES *C1=CC=C(*)C(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+170.05272	13845	"Theoretical m/z 170.05033, Mass diff -0.003 (0 ppm), Formula C6H14Cl2N"
+171.06052	6825	"Theoretical m/z 171.061003, Mass diff 0 (0 ppm), Formula C12H8F"
+177.05727	3428
+178.07768	5743	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+183.08054	2972	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+184.0881	9243	"Theoretical m/z 184.089302, Mass diff 0.001 (0 ppm), Formula C10H15ClN"
+198.07159	13404	"Theoretical m/z 198.071903, Mass diff 0 (0 ppm), Formula C13H9FN"
+199.05534	85192	"Theoretical m/z 199.055368, Mass diff 0 (0.14 ppm), SMILES *C(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO-3H]+, Rule of HR True"
+200.05859	18126
+205.05299	2987	"Theoretical m/z 205.052212, Mass diff 0.001 (3.79 ppm), SMILES *C1=CC=C(C=C1OC=2C=CC=CC2)C(*)C#N, Annotation [C14H11NO-4H]+, Rule of HR False"
+206.06009	190039	"Theoretical m/z 206.060037, Mass diff 0 (0.26 ppm), SMILES *C1=CC=C(C=C1OC=2C=CC=CC2)C(*)C#N, Annotation [C14H11NO-3H]+, Rule of HR True"
+207.03238	32947	"Theoretical m/z 207.032629, Mass diff 0 (1.2 ppm), SMILES *OC1=CC(=CC=C1F)C(C#N)OC(=O)C(*)*, Annotation [C10H8FNO3-2H]+, Rule of HR False"
+207.06338	10910
+210.99104	2988	"Theoretical m/z 210.995067, Mass diff 0.003 (0 ppm), Formula C13H4ClO"
+211.06055	3391
+215.05035	6742	"Theoretical m/z 215.050287, Mass diff 0 (0.29 ppm), SMILES *OC(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO2-3H]+, Rule of HR True"
+216.05824	3291	"Theoretical m/z 216.058112, Mass diff 0 (0.59 ppm), SMILES *OC(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO2-2H]+, Rule of HR False"
+223.06384	13436	"Theoretical m/z 223.062781, Mass diff 0.001 (4.75 ppm), SMILES *OC(C#N)C1=CC=C(*)C(OC=2C=CC=CC2)=C1, Annotation [C14H11NO2-2H]+, Rule of HR False"
+224.05051	4861	"Theoretical m/z 224.051167, Mass diff 0 (0 ppm), Formula C14H7FNO"
+226.04163	2447	"Theoretical m/z 226.042352, Mass diff 0 (0 ppm), Formula C14H9ClN"
+227.0222	37560	"Theoretical m/z 227.026368, Mass diff 0.004 (0 ppm), Formula C14H8ClO"
+227.0398	23460	"Theoretical m/z 227.040574, Mass diff 0 (0 ppm), Formula C9H14Cl2FO"
+228.07744	3209
+285.07965	2812	"Theoretical m/z 285.07956, Mass diff 0 (0.32 ppm), SMILES *C(*)C(=O)OC(C#N)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C16H12FNO3]+, Rule of HR False"
+300.06085	2408	"Theoretical m/z 300.059145, Mass diff -0.002 (0 ppm), Formula C17H12ClFNO"
+313.11368	2626
+342.99674	3076
+344.97629	2326
+
+NAME: trans-Cyfluthrin_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2779.2
+PRECURSORMZ: 401.05386
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H18Cl2FNO3
+INCHIKEY: QQODLKZGRKWIFG-ZAAXVRCTSA-N
+INCHI: 
+SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 77
+71.08553	5654	"Theoretical m/z 71.085524, Mass diff 0 (0.09 ppm), SMILES *C1C(*)C1(C)C, Annotation [C5H10+H]+, Rule of HR True"
+75.02609	9982	"Theoretical m/z 75.024618, Mass diff -0.002 (0 ppm), Formula C3H4FO"
+77.03858	23059	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.05425	13334	"Theoretical m/z 79.054228, Mass diff 0 (0.28 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+81.06991	6305	"Theoretical m/z 81.069878, Mass diff 0 (0.4 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07772	2814	"Theoretical m/z 82.077704, Mass diff 0 (0.2 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-2H]+, Rule of HR False"
+83.08553	4858	"Theoretical m/z 83.085529, Mass diff 0 (0.01 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-H]+, Rule of HR True"
+84.98392	3303	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.1012	8366	"Theoretical m/z 85.101179, Mass diff 0 (0.25 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12+H]+, Rule of HR True"
+89.03859	2585	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05428	148204	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06206	12517	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06994	12385	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04137	3441	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08559	9405	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+98.99971	2559	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+105.06991	5326	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04919	4750	"Theoretical m/z 107.049141, Mass diff 0 (0.46 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.96065	8612	"Theoretical m/z 108.960636, Mass diff 0 (0.13 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+109.0649	18323	"Theoretical m/z 109.06479, Mass diff 0 (1.01 ppm), SMILES *C(=O)C1C(C(*)*)C1(C)C, Annotation [C7H12O-3H]+, Rule of HR True"
+110.95779	7642
+115.05418	2484	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.06031	13834
+120.97719	3115
+121.06478	8601	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+125.01537	7569	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+127.03091	192499	"Theoretical m/z 127.030908, Mass diff 0 (0.02 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+128.06203	24238	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.02795	61862
+130.06529	3159	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+132.02443	10838	"Theoretical m/z 132.024408, Mass diff 0 (0.17 ppm), SMILES *C1=CC(=CC=C1F)C(*)C#N, Annotation [C8H6FN-3H]+, Rule of HR True"
+133.04472	14805	"Theoretical m/z 133.045353, Mass diff 0 (0 ppm), Formula C9H6F"
+134.04019	4536	"Theoretical m/z 134.040058, Mass diff 0 (0.99 ppm), SMILES *C1=CC(=CC=C1F)C(*)C#N, Annotation [C8H6FN-H]+, Rule of HR True"
+135.06249	2560	"Theoretical m/z 135.061003, Mass diff -0.002 (0 ppm), Formula C9H8F"
+139.05418	9493	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+151.02405	19048
+153.0034	5664
+159.06036	14681	"Theoretical m/z 159.061003, Mass diff 0 (0 ppm), Formula C11H8F"
+163.00754	103177	"Theoretical m/z 163.007587, Mass diff 0 (0.29 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+164.01076	6876
+165.00456	64242
+166.00794	3034
+167.0016	11619
+167.0553	7972
+169.03462	11413
+169.06453	11784	"Theoretical m/z 169.064792, Mass diff 0 (1.55 ppm), SMILES *C1=CC=C(*)C(OC=2C=CC=CC2)=C1, Annotation [C12H10O-H]+, Rule of HR True"
+170.05249	25181	"Theoretical m/z 170.05033, Mass diff -0.003 (0 ppm), Formula C6H14Cl2N"
+171.06046	10416	"Theoretical m/z 171.061003, Mass diff 0 (0 ppm), Formula C12H8F"
+172.06799	2355
+177.05739	9944	"Theoretical m/z 177.055169, Mass diff -0.003 (0 ppm), Formula C10H9O3"
+178.07767	2926	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.04915	16319	"Theoretical m/z 179.04969, Mass diff 0 (0 ppm), Formula C13H7O"
+181.06474	3814	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+186.04733	4016	"Theoretical m/z 186.047553, Mass diff 0 (1.2 ppm), SMILES *C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C12H9FO-2H]+, Rule of HR False"
+187.05502	6255	"Theoretical m/z 187.055378, Mass diff 0 (1.91 ppm), SMILES *C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C12H9FO-H]+, Rule of HR True"
+198.07117	17756	"Theoretical m/z 198.06808, Mass diff -0.004 (0 ppm), Formula C13H10O2"
+199.05527	155880	"Theoretical m/z 199.055368, Mass diff 0 (0.49 ppm), SMILES *C(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO-3H]+, Rule of HR True"
+200.0585	19907
+206.06003	234217	"Theoretical m/z 206.060037, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(C=C1OC=2C=CC=CC2)C(*)C#N, Annotation [C14H11NO-3H]+, Rule of HR True"
+207.03232	29200	"Theoretical m/z 207.032629, Mass diff 0 (1.49 ppm), SMILES *OC1=CC(=CC=C1F)C(C#N)OC(=O)C(*)*, Annotation [C10H8FNO3-2H]+, Rule of HR False"
+207.06331	36186
+209.01152	2624
+210.99075	4236	"Theoretical m/z 210.992875, Mass diff 0.002 (0 ppm), Formula C7H9Cl2O3"
+211.06047	4170
+215.05022	16705	"Theoretical m/z 215.050287, Mass diff 0 (0.31 ppm), SMILES *OC(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO2-3H]+, Rule of HR True"
+216.05827	4818	"Theoretical m/z 216.058112, Mass diff 0 (0.73 ppm), SMILES *OC(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO2-2H]+, Rule of HR False"
+224.05057	6614	"Theoretical m/z 224.047344, Mass diff -0.004 (0 ppm), Formula C14H8O3"
+225.04286	2917	"Theoretical m/z 225.04491, Mass diff 0.002 (0 ppm), Formula C9H15Cl2O2"
+226.04178	39322	"Theoretical m/z 226.042352, Mass diff 0 (0 ppm), Formula C14H9ClN"
+227.02212	35676	"Theoretical m/z 227.024175, Mass diff 0.002 (0 ppm), Formula C8H13Cl2O3"
+227.03966	30702	"Theoretical m/z 227.040574, Mass diff 0 (0 ppm), Formula C9H14Cl2FO"
+228.02115	7105
+228.03928	6125
+229.0015	2603
+267.99799	3124	"Theoretical m/z 267.996545, Mass diff -0.002 (0 ppm), Formula C15H4ClFNO"
+268.97839	5515	"Theoretical m/z 268.979417, Mass diff 0 (0 ppm), Formula C18H2ClO"
+283.03049	5800	"Theoretical m/z 283.031453, Mass diff 0 (0 ppm), Formula C20H8Cl"
+
+NAME: cis-Cyfluthrin_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2787.2
+PRECURSORMZ: 431.08688
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H18Cl2FNO3
+INCHIKEY: QQODLKZGRKWIFG-CVAIRZPRSA-N
+INCHI: 
+SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 89
+71.08554	5063	"Theoretical m/z 71.085524, Mass diff 0 (0.23 ppm), SMILES *C1C(*)C1(C)C, Annotation [C5H10+H]+, Rule of HR True"
+74.01513	2124	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+76.03078	3487	"Theoretical m/z 76.030753, Mass diff 0 (0.36 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03859	18424	"Theoretical m/z 77.038578, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+80.91579	1602
+81.92351	1652
+83.08554	3725	"Theoretical m/z 83.085529, Mass diff 0 (0.13 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-H]+, Rule of HR True"
+84.0934	2952	"Theoretical m/z 84.093354, Mass diff 0 (0.55 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12]+, Rule of HR False"
+85.10123	7668	"Theoretical m/z 85.101179, Mass diff 0 (0.6 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12+H]+, Rule of HR True"
+86.9859	2126
+87.04417	1379	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+89.03864	3124	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05429	45029	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06206	9763	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+103.05426	3072	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06214	2947	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+108.96072	4580	"Theoretical m/z 108.960636, Mass diff 0 (0.77 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+110.95758	2118
+111.11694	2527	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+116.0621	1543	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.01865	2833
+117.06992	6488	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+121.06479	5745	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.11684	3375	"Theoretical m/z 123.117375, Mass diff 0 (0 ppm), Formula C9H15"
+127.03093	2731	"Theoretical m/z 127.030908, Mass diff 0 (0.17 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+127.14804	1357	"Theoretical m/z 127.148676, Mass diff 0 (0 ppm), Formula C9H19"
+130.03131	2195	"Theoretical m/z 130.029289, Mass diff -0.003 (0 ppm), Formula C8H4NO"
+131.08556	3803	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+132.02457	7497	"Theoretical m/z 132.024408, Mass diff 0 (1.23 ppm), SMILES *C1=CC(=CC=C1F)C(*)C#N, Annotation [C8H6FN-3H]+, Rule of HR True"
+133.01355	6658
+134.03998	2315	"Theoretical m/z 134.040058, Mass diff 0 (0.58 ppm), SMILES *C1=CC(=CC=C1F)C(*)C#N, Annotation [C8H6FN-H]+, Rule of HR True"
+137.00851	1382
+139.05426	5191	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+147.06558	2892	"Theoretical m/z 147.068414, Mass diff 0.002 (0 ppm), Formula C9H9NO"
+147.11685	1742	"Theoretical m/z 147.117375, Mass diff 0 (0 ppm), Formula C11H15"
+150.04443	1386
+152.06223	3001	"Theoretical m/z 152.06423, Mass diff 0.001 (0 ppm), Formula C6H12ClFN"
+154.0777	3245	"Theoretical m/z 154.07988, Mass diff 0.002 (0 ppm), Formula C6H14ClFN"
+159.06029	9955
+163.00755	53522	"Theoretical m/z 163.007587, Mass diff 0 (0.23 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+165.00459	5013
+165.06984	1787	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07327	2836
+170.05261	6118	"Theoretical m/z 170.05033, Mass diff -0.003 (0 ppm), Formula C6H14Cl2N"
+171.95178	1675
+172.06805	1854
+177.05737	6502	"Theoretical m/z 177.055169, Mass diff -0.003 (0 ppm), Formula C10H9O3"
+178.0778	1583	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08537	3084	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+181.06454	3396	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+183.08037	2770	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+186.04735	4300	"Theoretical m/z 186.047553, Mass diff 0 (1.09 ppm), SMILES *C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C12H9FO-2H]+, Rule of HR False"
+191.00098	3315
+192.98027	2439
+194.99582	2261
+196.97519	4601	"Theoretical m/z 196.977224, Mass diff 0.001 (0 ppm), Formula C6H7Cl2O3"
+197.97458	1456	"Theoretical m/z 197.974666, Mass diff 0 (0 ppm), Formula C11HClNO"
+206.06004	135483	"Theoretical m/z 206.060037, Mass diff 0 (0.01 ppm), SMILES *C1=CC=C(C=C1OC=2C=CC=CC2)C(*)C#N, Annotation [C14H11NO-3H]+, Rule of HR True"
+207.03236	33009	"Theoretical m/z 207.032629, Mass diff 0 (1.3 ppm), SMILES *OC1=CC(=CC=C1F)C(C#N)OC(=O)C(*)*, Annotation [C10H8FNO3-2H]+, Rule of HR False"
+207.06332	12799
+208.03149	2114	"Theoretical m/z 208.03293, Mass diff 0.001 (0 ppm), Formula C11H8ClFN"
+209.01161	8003
+209.08153	1624
+210.99095	1813	"Theoretical m/z 210.992875, Mass diff 0.001 (0 ppm), Formula C7H9Cl2O3"
+216.05847	2887	"Theoretical m/z 216.058112, Mass diff 0 (1.66 ppm), SMILES *OC(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO2-2H]+, Rule of HR False"
+223.06377	2988	"Theoretical m/z 223.062781, Mass diff 0.001 (4.43 ppm), SMILES *OC(C#N)C1=CC=C(*)C(OC=2C=CC=CC2)=C1, Annotation [C14H11NO2-2H]+, Rule of HR False"
+226.04187	19959	"Theoretical m/z 226.042352, Mass diff 0 (0 ppm), Formula C14H9ClN"
+227.03975	18340	"Theoretical m/z 227.040574, Mass diff 0 (0 ppm), Formula C9H14Cl2FO"
+228.02124	6616	"Theoretical m/z 228.021617, Mass diff 0 (0 ppm), Formula C13H7ClNO"
+228.03891	3488
+229.00153	3673
+230.98062	4905
+239.09496	3860
+265.02002	2442	"Theoretical m/z 265.019838, Mass diff -0.001 (0 ppm), Formula C11H12Cl2FO2"
+281.05118	5993
+282.05121	1573
+285.00973	4035	"Theoretical m/z 285.010717, Mass diff 0 (0 ppm), Formula C19H6ClO"
+300.06073	3752	"Theoretical m/z 300.059145, Mass diff -0.002 (0 ppm), Formula C17H12ClFNO"
+301.05826	4161	"Theoretical m/z 301.056224, Mass diff -0.003 (0 ppm), Formula C15H16Cl2FO"
+327.03558	2535	"Theoretical m/z 327.034936, Mass diff 0.001 (1.97 ppm), SMILES *C1=CC(=CC=C1F)C(OC(=O)C2C(C=C(Cl)Cl)C2(C)C)C(*)(*)*, Annotation [C16H17Cl2FO2-3H]+, Rule of HR True"
+341.01788	4116	"Theoretical m/z 341.016946, Mass diff -0.001 (0 ppm), Formula C22H7ClFO"
+344.97607	4369	"Theoretical m/z 344.975475, Mass diff -0.001 (0 ppm), Formula C20H3ClFO3"
+357.06616	1962	"Theoretical m/z 357.069375, Mass diff 0.003 (0 ppm), Formula C20H15ClFO3"
+360.02817	2440	"Theoretical m/z 360.022759, Mass diff -0.006 (0 ppm), Formula C21H8ClFNO2"
+399.00568	1941	"Theoretical m/z 398.999103, Mass diff -0.007 (0 ppm), Formula C21H10Cl2FO3"
+400.98483	2213
+429.08865	2862
+431.08688	3223
+549.16266	1672
+
+NAME: trans-Cyfluthrin_Isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2793.6
+PRECURSORMZ: 429.08887
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H18Cl2FNO3
+INCHIKEY: QQODLKZGRKWIFG-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 104
+73.04681	4230	"Theoretical m/z 73.045353, Mass diff -0.002 (0 ppm), Formula C4H6F"
+74.01512	2702	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+77.0386	9757	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.05425	4635	"Theoretical m/z 79.054228, Mass diff 0 (0.28 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6+H]+, Rule of HR True"
+79.92564	2475
+81.0136	1427	"Theoretical m/z 81.014053, Mass diff 0 (0 ppm), Formula C5H2F"
+81.0699	3656	"Theoretical m/z 81.069878, Mass diff 0 (0.28 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+81.92364	2914
+83.08554	4804	"Theoretical m/z 83.085529, Mass diff 0 (0.13 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12-H]+, Rule of HR True"
+84.09336	1250	"Theoretical m/z 84.093354, Mass diff 0 (0.07 ppm), SMILES *C(*)C1C(*)C1(C)C, Annotation [C6H12]+, Rule of HR False"
+88.95087	1897
+95.08555	4577	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+101.0598	1166	"Theoretical m/z 101.059708, Mass diff 0 (0.91 ppm), SMILES COC(=O)CC[CH2+], Annotation [C5H9O2]+, Rule of HR True"
+103.05432	2216	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.0621	3046	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06994	3258	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07779	3674	"Theoretical m/z 106.07825, Mass diff 0 (0 ppm), Formula C8H10"
+107.04917	2407	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.09348	1135	"Theoretical m/z 108.0939, Mass diff 0 (0 ppm), Formula C8H12"
+108.96075	2983	"Theoretical m/z 108.960636, Mass diff 0 (1.05 ppm), SMILES *C(*)C=C(Cl)Cl, Annotation [C3H4Cl2-H]+, Rule of HR True"
+115.05428	3333	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+118.07777	4231
+121.06486	1193	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.11674	1263	"Theoretical m/z 123.117375, Mass diff 0 (0 ppm), Formula C9H15"
+125.0153	2381	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+127.03092	51873	"Theoretical m/z 127.030908, Mass diff 0 (0.09 ppm), SMILES *C(Cl)=CC1C(*)C1(C)C, Annotation [C7H11Cl-3H]+, Rule of HR True"
+127.14815	1571	"Theoretical m/z 127.148676, Mass diff 0 (0 ppm), Formula C9H19"
+128.06201	10304	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.02791	28291
+132.02441	2842	"Theoretical m/z 132.024408, Mass diff 0 (0.02 ppm), SMILES *C1=CC(=CC=C1F)C(*)C#N, Annotation [C8H6FN-3H]+, Rule of HR True"
+133.01335	7614
+134.04018	1644	"Theoretical m/z 134.040058, Mass diff 0 (0.91 ppm), SMILES *C1=CC(=CC=C1F)C(*)C#N, Annotation [C8H6FN-H]+, Rule of HR True"
+138.98791	1538
+141.16376	1115
+146.07256	1334	"Theoretical m/z 146.073165, Mass diff 0 (0 ppm), Formula C10H10O"
+149.04483	6455
+149.13246	1564	"Theoretical m/z 149.133026, Mass diff 0 (0 ppm), Formula C11H17"
+151.02409	10695
+152.06183	2463	"Theoretical m/z 152.06423, Mass diff 0.002 (0 ppm), Formula C6H12ClFN"
+153.00333	4110
+153.0697	3536	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07764	1095	"Theoretical m/z 154.07988, Mass diff 0.002 (0 ppm), Formula C6H14ClFN"
+159.11673	2863	"Theoretical m/z 159.117375, Mass diff 0 (0 ppm), Formula C12H15"
+163.00755	28547	"Theoretical m/z 163.007587, Mass diff 0 (0.23 ppm), SMILES *C1C(C=C(Cl)Cl)C1(C)C, Annotation [C7H10Cl2-H]+, Rule of HR True"
+164.01092	2317
+165.00456	21174
+165.06981	3165	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07317	1825
+167.00177	4485
+169.03462	7641
+170.05254	11559	"Theoretical m/z 170.05033, Mass diff -0.003 (0 ppm), Formula C6H14Cl2N"
+171.01373	1288	"Theoretical m/z 171.014359, Mass diff 0 (0 ppm), Formula C6H10Cl2F"
+171.11664	1269	"Theoretical m/z 171.117375, Mass diff 0 (0 ppm), Formula C13H15"
+178.07754	2074	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.04921	4811	"Theoretical m/z 179.04969, Mass diff 0 (0 ppm), Formula C13H7O"
+179.96388	1240	"Theoretical m/z 179.965245, Mass diff 0.001 (0 ppm), Formula C8ClFNO"
+187.05524	4136	"Theoretical m/z 187.055378, Mass diff 0 (0.74 ppm), SMILES *C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C12H9FO-H]+, Rule of HR True"
+191.00102	3073
+192.00015	1085	"Theoretical m/z 192, Mass diff -0.001 (0 ppm), Formula C16"
+192.98019	3817
+193.04991	4191
+194.09624	2201	"Theoretical m/z 194.096974, Mass diff 0 (0 ppm), Formula C14H12N"
+196.97527	1658	"Theoretical m/z 196.977224, Mass diff 0.001 (0 ppm), Formula C6H7Cl2O3"
+198.07138	9306	"Theoretical m/z 198.06808, Mass diff -0.004 (0 ppm), Formula C13H10O2"
+199.05522	40328	"Theoretical m/z 199.055368, Mass diff 0 (0.74 ppm), SMILES *C(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO-3H]+, Rule of HR True"
+200.05827	10267
+202.07812	1159	"Theoretical m/z 202.078843, Mass diff 0.001 (3.58 ppm), SMILES *C(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO]+, Rule of HR False"
+206.06003	107486	"Theoretical m/z 206.060037, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(C=C1OC=2C=CC=CC2)C(*)C#N, Annotation [C14H11NO-3H]+, Rule of HR True"
+207.0323	22767	"Theoretical m/z 207.032629, Mass diff 0 (1.59 ppm), SMILES *OC1=CC(=CC=C1F)C(C#N)OC(=O)C(*)*, Annotation [C10H8FNO3-2H]+, Rule of HR False"
+207.06334	11800
+209.01161	6119
+210.01073	1101	"Theoretical m/z 210.011052, Mass diff 0 (0 ppm), Formula C13H5ClN"
+210.99097	3578	"Theoretical m/z 210.992875, Mass diff 0.001 (0 ppm), Formula C7H9Cl2O3"
+212.05951	3131
+213.05737	1864
+215.05012	8532	"Theoretical m/z 215.050287, Mass diff 0 (0.77 ppm), SMILES *OC(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO2-3H]+, Rule of HR True"
+216.05846	2685	"Theoretical m/z 216.058112, Mass diff 0 (1.61 ppm), SMILES *OC(*)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C13H11FO2-2H]+, Rule of HR False"
+223.06366	4015	"Theoretical m/z 223.062781, Mass diff 0.001 (3.94 ppm), SMILES *OC(C#N)C1=CC=C(*)C(OC=2C=CC=CC2)=C1, Annotation [C14H11NO2-2H]+, Rule of HR False"
+226.04182	17924	"Theoretical m/z 226.042352, Mass diff 0 (0 ppm), Formula C14H9ClN"
+228.03877	2990
+230.98067	1226
+237.07901	1501	"Theoretical m/z 237.081296, Mass diff 0.002 (0 ppm), Formula C11H19Cl2O"
+254.96245	1080	"Theoretical m/z 254.963767, Mass diff 0.001 (0 ppm), Formula C17ClO"
+265.0199	3829	"Theoretical m/z 265.019838, Mass diff -0.001 (0 ppm), Formula C11H12Cl2FO2"
+266.99908	2739	"Theoretical m/z 267.000153, Mass diff 0.001 (0 ppm), Formula C19H4Cl"
+267.06885	1627	"Theoretical m/z 267.069012, Mass diff 0 (0.61 ppm), SMILES *C(*)C(*)(*)OC(C#N)C1=CC=C(F)C(OC=2C=CC=CC2)=C1, Annotation [C16H14FNO2-4H]+, Rule of HR False"
+283.0304	4748	"Theoretical m/z 283.031453, Mass diff 0.001 (0 ppm), Formula C20H8Cl"
+284.02933	3279
+285.00964	2307	"Theoretical m/z 285.010717, Mass diff 0.001 (0 ppm), Formula C19H6ClO"
+295.10342	2742
+300.06079	2839	"Theoretical m/z 300.059145, Mass diff -0.002 (0 ppm), Formula C17H12ClFNO"
+301.05817	5982	"Theoretical m/z 301.056224, Mass diff -0.002 (0 ppm), Formula C15H16Cl2FO"
+325.9866	2206	"Theoretical m/z 325.987818, Mass diff 0.001 (0 ppm), Formula C22NO3"
+341.01749	2464	"Theoretical m/z 341.016946, Mass diff -0.001 (0 ppm), Formula C22H7ClFO"
+345.97592	2995	"Theoretical m/z 345.970724, Mass diff -0.006 (0 ppm), Formula C19H2ClFNO3"
+355.06976	1468	"Theoretical m/z 355.066788, Mass diff -0.004 (0 ppm), Formula C18H18Cl2FO2"
+358.06632	2074
+361.02591	3136	"Theoretical m/z 361.019838, Mass diff -0.007 (0 ppm), Formula C19H12Cl2FO2"
+369.12228	1597
+387.00247	1557	"Theoretical m/z 386.999103, Mass diff -0.004 (0 ppm), Formula C20H10Cl2FO3"
+415.03635	1417	"Theoretical m/z 415.030403, Mass diff -0.006 (0 ppm), Formula C22H14Cl2FO3"
+415.10678	2093
+429.08887	2799
+475.07336	1286
+
+NAME: 1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2796.5
+PRECURSORMZ: 389.813293457031
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H2Cl6O2
+INCHIKEY: WCYYQNSQJHPVMG-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:90
+74.01478	89668	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+83.97583	57215
+84.04407	61287
+85.0069	79148	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10082	81874
+86.9629	93002	"Theoretical m/z 86.963767, Mass diff 0 (0 ppm), Formula C3ClO"
+87.02263	90924	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+94.96787	72117	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.97564	50491
+96.98356	189841	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.98054	57441
+107.97566	67217
+108.98353	103672	"Theoretical m/z 108.983957, Mass diff 0 (3.91 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+110.96266	102282	"Theoretical m/z 110.963767, Mass diff 0.001 (0 ppm), Formula C5ClO"
+112.97836	130142	"Theoretical m/z 112.979417, Mass diff 0.001 (0 ppm), Formula C5H2ClO"
+117.93658	138533
+119.93368	118942
+129.93658	105192
+130.94437	230812	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.94292	369573
+132.94136	141949
+141.93649	252542
+143.93344	192080
+152.90523	78503	"Theoretical m/z 152.906558, Mass diff 0.001 (0 ppm), Formula C4Cl3"
+154.90216	90233
+158.93932	91899	"Theoretical m/z 158.939905, Mass diff 0.001 (3.68 ppm), SMILES OC=1C=CC(=C(C=1)Cl)Cl, Annotation [C6H4Cl2O-3H]+, Rule of HR True"
+159.93765	106213
+162.42618	93510
+163.42454	158684
+164.4232	100238
+164.90524	118019	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.90224	130731
+176.90517	54183	"Theoretical m/z 176.906015, Mass diff 0.001 (4.78 ppm), SMILES C1=CC(=C(C(=C1)Cl)Cl)Cl, Annotation [C6H3Cl3-3H]+, Rule of HR True"
+178.90213	59835	"Theoretical m/z 178.898886, Mass diff -0.004 (0 ppm), Formula C3H3Cl4"
+180.8997	64014	"Theoretical m/z 180.901473, Mass diff 0.001 (0 ppm), Formula C5Cl3O"
+182.897	58406	"Theoretical m/z 182.8938, Mass diff -0.004 (0 ppm), Formula C2H3Cl4O"
+191.95181	212255
+193.90781	366167
+193.94888	148605
+194.90631	426773
+195.40808	55591
+195.90485	368299
+196.90337	143223
+207.03134	98706
+226.92047	142530	"Theoretical m/z 226.922208, Mass diff 0.001 (0 ppm), Formula C10H2Cl3"
+227.90945	72832
+228.91762	133160
+254.91538	134552	"Theoretical m/z 254.917123, Mass diff 0.001 (0 ppm), Formula C11H2Cl3O"
+256.91248	145751
+261.88931	927194
+262.8923	100961
+263.88635	1183622
+264.88962	127304
+265.88342	555330
+266.88648	64829
+267.88052	119257
+289.88437	80500
+291.8812	99904
+296.85803	159636	"Theoretical m/z 296.859913, Mass diff 0.001 (0 ppm), Formula C10H2Cl5"
+298.85492	257882
+300.85217	154769	"Theoretical m/z 300.854828, Mass diff 0.002 (0 ppm), Formula C9H2Cl5O"
+317.87851	104957
+319.87567	133844
+321.8912	72690
+324.8526	1262208	"Theoretical m/z 324.854828, Mass diff 0.002 (0 ppm), Formula C11H2Cl5O"
+325.85599	153923
+326.84967	2054361
+327.85297	237626
+328.84668	1287025	"Theoretical m/z 328.849743, Mass diff 0.003 (0 ppm), Formula C10H2Cl5O2"
+329.85025	155594
+330.84366	418624
+332.84097	62282
+352.84738	398300
+353.85516	72636
+354.84448	631215
+355.85208	124021
+356.84149	422482	"Theoretical m/z 356.836591, Mass diff -0.005 (0 ppm), Formula C12H3Cl6"
+357.84967	84097
+358.83838	136644
+387.81625	2650596	"Theoretical m/z 387.818055, Mass diff 0.002 (4.65 ppm), SMILES O1C3=CC(=C(C=C3(OC2=C1C(=C(C(=C2Cl)Cl)Cl)Cl))Cl)Cl, Annotation [C12H2Cl6O2]+, Rule of HR False"
+388.81967	342415
+389.81326	5015280
+390.81659	636734
+391.81024	4034112
+392.81351	528415
+393.80704	1693016
+394.81049	227318
+395.80405	390456
+396.80746	50570
+397.80087	52807
+
+NAME: 1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2956.7
+PRECURSORMZ: 425.771240234375
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12HCl7O2
+INCHIKEY: WCLNVRQZUKYVAI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:112
+70.07742	55811
+83.97584	124375
+84.09301	63580
+85.1008	44180
+86.96284	89725	"Theoretical m/z 86.963767, Mass diff 0 (0 ppm), Formula C3ClO"
+94.96786	112366	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.97572	124441
+96.99341	54076
+107.97562	255652
+109.97269	74748
+110.96266	76834	"Theoretical m/z 110.963767, Mass diff 0.001 (0 ppm), Formula C5ClO"
+112.95611	46242
+117.93664	177057
+118.9445	93770	"Theoretical m/z 118.94553, Mass diff 0 (0 ppm), Formula C4HCl2"
+119.9336	120800
+120.94147	64975
+129.9366	113390
+130.94429	136394	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.43893	45910
+131.93356	81863
+132.94145	98595
+141.93649	326110
+142.94429	121606	"Theoretical m/z 142.944986, Mass diff 0.001 (4.87 ppm), SMILES C1=CC=C(C(=C1)Cl)Cl, Annotation [C6H4Cl2-3H]+, Rule of HR True"
+143.93353	207083
+144.94148	68912
+146.93893	50308	"Theoretical m/z 146.940445, Mass diff 0.001 (0 ppm), Formula C5HCl2O"
+147.92473	178266
+148.92325	361165
+149.92183	178166
+150.92041	57772
+152.90524	99486	"Theoretical m/z 152.906558, Mass diff 0.001 (0 ppm), Formula C4Cl3"
+154.90221	105846
+155.97501	73447
+164.90527	102741	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.90224	99132
+175.91954	62617
+176.91806	187085
+177.91649	78704
+178.90205	89972
+178.96372	100207
+179.40636	83250
+180.40497	172769
+180.89972	91042	"Theoretical m/z 180.901473, Mass diff 0.001 (0 ppm), Formula C5Cl3O"
+181.4035	141674
+182.40202	65541
+182.89693	55144
+189.87094	43454
+192.97932	44894
+207.03137	179836
+210.88806	211692
+211.88673	511796
+212.38829	61729
+212.88522	451317
+213.38704	59068
+213.88376	292831
+214.8824	81431
+225.91263	283898
+227.90978	255517
+229.90692	83931
+260.88162	139351	"Theoretical m/z 260.883236, Mass diff 0.001 (0 ppm), Formula C10HCl4"
+261.87067	47021
+262.87857	158807
+264.87558	90913	"Theoretical m/z 264.87815, Mass diff 0.002 (0 ppm), Formula C9HCl4O"
+288.87625	138480	"Theoretical m/z 288.87815, Mass diff 0.001 (0 ppm), Formula C11HCl4O"
+290.87338	178437
+292.8703	87079	"Theoretical m/z 292.873065, Mass diff 0.002 (0 ppm), Formula C10HCl4O2"
+295.85001	696813
+296.85355	75529
+297.84705	1126608
+298.85007	133044
+299.84409	755166
+300.84735	68388
+301.84116	234051
+323.84454	63969
+325.84186	123180
+326.8501	77797
+327.8392	77567
+330.81897	134742	"Theoretical m/z 330.820941, Mass diff 0.001 (0 ppm), Formula C10HCl6"
+332.81604	222983
+334.81317	195193	"Theoretical m/z 334.815856, Mass diff 0.002 (0 ppm), Formula C9HCl6O"
+336.80984	78154
+351.84003	90448
+353.83649	162852
+355.8342	106276
+358.81348	924261	"Theoretical m/z 358.815856, Mass diff 0.002 (0 ppm), Formula C11HCl6O"
+359.8169	111888
+360.81058	1761950
+361.81375	198494
+362.80759	1409802	"Theoretical m/z 362.81077, Mass diff 0.003 (0 ppm), Formula C10HCl6O2"
+363.81067	159081
+364.80456	630755
+365.80817	68402
+366.80151	139753
+386.80829	208596
+387.81595	107118
+388.80539	412518
+389.81335	180327
+390.80246	338341	"Theoretical m/z 390.797619, Mass diff -0.005 (0 ppm), Formula C12H2Cl7"
+391.80994	151320
+392.79974	152128
+393.80707	67545
+421.77728	1936122	"Theoretical m/z 421.779084, Mass diff 0.002 (4.28 ppm), SMILES O1C3=CC(=C(C(=C3(OC2=C1C(=C(C(=C2Cl)Cl)Cl)Cl))Cl)Cl)Cl, Annotation [C12HCl7O2]+, Rule of HR False"
+422.78058	252312
+423.77426	4311631
+424.77759	568034
+425.77124	4126381
+426.77435	534219
+427.76782	2193466
+428.77124	284870
+429.7648	701857
+430.76816	99014
+431.76166	130159
+
+NAME: Octachlorodibenzo-p-dioxin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3097.6
+PRECURSORMZ: 459.731994628906
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12Cl8O2
+INCHIKEY: FOIBFBMSLDGNHL-UHFFFAOYSA-N
+INCHI: 
+SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:116
+86.96284	152850	"Theoretical m/z 86.963767, Mass diff 0 (0 ppm), Formula C3ClO"
+94.96788	239590	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+96.99346	87799
+110.96273	114622	"Theoretical m/z 110.963767, Mass diff 0 (0 ppm), Formula C5ClO"
+117.93659	359364
+119.93364	223023
+129.93657	302727
+130.93495	82831
+131.93361	200652
+141.93649	689576
+142.93977	59425
+143.93352	445251
+145.93051	72386
+148.41933	79480
+152.9052	225100	"Theoretical m/z 152.906558, Mass diff 0.001 (0 ppm), Formula C4Cl3"
+154.90224	187580
+156.89922	73039	"Theoretical m/z 156.901473, Mass diff 0.002 (0 ppm), Formula C3Cl3O"
+164.9052	460092	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+165.90375	401875
+166.90222	513947
+167.90077	135082
+168.89911	103602
+176.90511	173874
+178.90212	197917
+180.8998	198509	"Theoretical m/z 180.901473, Mass diff 0.001 (0 ppm), Formula C5Cl3O"
+182.89697	147795
+187.87392	90256
+189.87096	122665
+189.93616	75301
+191.86795	53964
+191.9332	50139
+192.89995	61539
+192.97934	65334
+193.89824	134402
+194.89677	103783
+195.90477	65367
+196.3868	99036
+197.38533	212194
+198.38394	233394
+199.38245	117042
+208.03032	55635
+208.89481	56523	"Theoretical m/z 208.895837, Mass diff 0.001 (4.92 ppm), SMILES OC=1C=C(C(=C(C=1(O))Cl)Cl)Cl, Annotation [C6H3Cl3O2-3H]+, Rule of HR True"
+210.89169	57425
+211.87384	102347
+213.87062	131912
+215.8683	83034
+224.905	51557	"Theoretical m/z 224.906558, Mass diff 0.001 (0 ppm), Formula C10Cl3"
+226.90202	53531
+227.86868	263710
+228.8672	556384
+229.36853	71028
+229.86568	638022
+230.36752	75829
+230.86415	377642
+231.8627	168748
+259.87372	361524
+261.87076	438588
+263.86768	216522
+265.01871	58634
+281.0498	77710
+294.84228	134541	"Theoretical m/z 294.844263, Mass diff 0.001 (0 ppm), Formula C10Cl5"
+296.83914	211413
+297.84692	53729
+298.8363	148479	"Theoretical m/z 298.839178, Mass diff 0.002 (0 ppm), Formula C9Cl5O"
+322.83701	119334	"Theoretical m/z 322.839178, Mass diff 0.002 (0 ppm), Formula C11Cl5O"
+324.83404	196829
+326.83106	131620	"Theoretical m/z 326.834093, Mass diff 0.002 (0 ppm), Formula C10Cl5O2"
+329.81091	671851
+330.81381	68728
+331.80792	1248931
+332.81073	115450
+333.8049	1050052
+334.80844	87098
+335.802	452480
+337.79959	106110
+357.80579	73753
+359.80298	134925
+360.81082	92846
+361.79962	110291
+362.80664	83059
+363.79724	53112
+364.77988	147476	"Theoretical m/z 364.781969, Mass diff 0.002 (0 ppm), Formula C10Cl7"
+366.77658	280943
+368.77356	257435	"Theoretical m/z 368.776883, Mass diff 0.003 (0 ppm), Formula C9Cl7O"
+370.77032	146837
+385.80014	72145
+387.79779	153094
+389.79483	149598
+392.77457	692002	"Theoretical m/z 392.776883, Mass diff 0.002 (0 ppm), Formula C11Cl7O"
+393.77716	73144
+394.77142	1546153
+395.77481	174372
+396.76843	1475247	"Theoretical m/z 396.771798, Mass diff 0.003 (0 ppm), Formula C10Cl7O2"
+397.77173	166188
+398.76544	781156
+399.76901	82546
+400.76248	258550	"Theoretical m/z 400.758646, Mass diff -0.004 (0 ppm), Formula C10HCl8"
+420.76907	98670
+421.77664	117510
+422.76605	197679
+423.77414	235030
+424.7634	232093	"Theoretical m/z 424.758646, Mass diff -0.005 (0 ppm), Formula C12HCl8"
+425.77106	233312
+426.76028	125489
+427.76749	116257
+455.73807	1721167	"Theoretical m/z 455.740113, Mass diff 0.002 (4.48 ppm), SMILES O1C3=C(OC2=C1C(=C(C(=C2Cl)Cl)Cl)Cl)C(=C(C(=C3Cl)Cl)Cl)Cl, Annotation [C12Cl8O2]+, Rule of HR False"
+456.74152	231836
+457.73502	4361606
+458.73843	579205
+459.73202	4943510
+460.73538	588881
+461.72903	3108544
+462.73251	405061
+463.72565	1255405
+464.729	163001
+465.72256	319108
+
+NAME: Octachlorodibenzofuran
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3099.4
+PRECURSORMZ: 443.737091064453
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12Cl8O
+INCHIKEY: RHIROFAGUQOFLU-UHFFFAOYSA-N
+INCHI: 
+SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:90
+85.10082	65919
+100.96789	385179
+101.96637	241966
+118.45213	150077
+119.45072	165515
+131.99884	182914	"Theoretical m/z 132, Mass diff 0.001 (0 ppm), Formula C11"
+133.01292	51907
+135.93651	147384
+136.93504	185476
+137.93346	70169
+140.90544	78813	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+151.02341	55816
+153.42073	326511
+154.41927	495821
+155.41785	288504
+156.41632	82981
+166.96735	97083	"Theoretical m/z 166.968853, Mass diff 0.001 (0 ppm), Formula C11Cl"
+167.90064	77361
+170.90501	152508
+171.90367	270425
+172.90216	233404
+173.90071	63412
+177.93626	51695
+185.90111	122353
+186.89976	102673
+188.38936	265664
+189.38796	552745
+189.88969	107189
+190.38648	546077
+190.88805	78749
+191.38504	236885
+191.9331	61601
+192.38359	91851
+201.93619	266223
+203.93329	188003
+207.03134	132069
+219.87137	213298
+220.86978	496748
+221.86832	548650
+222.37001	52022
+222.86685	369080
+223.865	134276
+236.90478	382427	"Theoretical m/z 236.906558, Mass diff 0.001 (0 ppm), Formula C11Cl3"
+238.90184	360719
+240.89877	126353	"Theoretical m/z 240.901473, Mass diff 0.002 (0 ppm), Formula C10Cl3O"
+271.87357	125173
+273.871	179867
+275.86774	72611
+281.0498	139527
+306.84222	909590	"Theoretical m/z 306.844263, Mass diff 0.001 (0 ppm), Formula C11Cl5"
+307.84509	105971
+308.83923	1426782
+309.84238	169295
+310.83624	877328	"Theoretical m/z 310.839178, Mass diff 0.002 (0 ppm), Formula C10Cl5O"
+311.83911	99026
+312.83341	301211
+341.81064	151210
+343.80789	273269
+344.81595	73481
+345.80493	216275
+347.80231	95024
+369.8056	106437
+371.80246	279845
+373.79965	258807
+375.79721	90909
+376.77945	601071	"Theoretical m/z 376.781969, Mass diff 0.002 (0 ppm), Formula C11Cl7"
+378.77661	1272297
+379.77988	166892
+380.77359	1249623	"Theoretical m/z 380.776883, Mass diff 0.003 (0 ppm), Formula C10Cl7O"
+381.77725	149889
+382.7706	651579
+383.77374	81047
+384.76761	200420
+405.78195	120345
+406.77154	91663
+407.7793	237284
+408.76874	111082
+409.7764	246429
+411.77368	129598
+439.74307	1740748	"Theoretical m/z 439.745179, Mass diff 0.002 (4.8 ppm), SMILES O1C3=C(C2=C1C(=C(C(=C2Cl)Cl)Cl)Cl)C(=C(C(=C3Cl)Cl)Cl)Cl, Annotation [C12Cl8O]+, Rule of HR False"
+440.74649	215500
+441.74011	4398077
+442.74338	545661
+443.73706	4933406
+444.74054	622274
+445.7341	2981323
+446.7374	379784
+447.73117	1164640
+448.73438	155980
+449.7283	283923
+
+NAME: 1,2,3,7,8-Pentachlorodibenzofuran
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2496.1
+PRECURSORMZ: 339.857299804688
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Cl5O
+INCHIKEY: SBMIVUVRFPGOEB-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:55
+83.98745	105554
+84.49139	117295
+85.0069	81587	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01471	65881	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+96.98362	69583	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01469	75014
+101.97572	66595
+119.96384	198542
+120.96245	223881	"Theoretical m/z 120.96118, Mass diff -0.002 (0 ppm), Formula C4H3Cl2"
+133.00674	69513	"Theoretical m/z 133.007825, Mass diff 0.001 (0 ppm), Formula C11H"
+134.01446	195220
+135.02229	158869	"Theoretical m/z 135.023475, Mass diff 0.001 (0 ppm), Formula C11H3"
+137.44826	339121
+138.44679	441237
+139.44528	190882
+168.9299	287516
+168.98305	95445	"Theoretical m/z 168.984503, Mass diff 0.001 (0 ppm), Formula C11H2Cl"
+169.92839	467548
+169.99075	84986
+170.92697	298056
+171.92552	112322
+204.95964	973043	"Theoretical m/z 204.96118, Mass diff 0.001 (0 ppm), Formula C11H3Cl2"
+205.96294	122257
+206.95666	618272
+207.95993	69300
+208.95361	103884
+238.92046	125541	"Theoretical m/z 238.922208, Mass diff 0.001 (0 ppm), Formula C11H2Cl3"
+239.9285	217593
+240.9175	138614
+241.92558	217083
+243.92258	71414
+267.92322	236427
+269.92023	237717
+271.91733	70815
+274.89712	997129	"Theoretical m/z 274.898886, Mass diff 0.001 (0 ppm), Formula C11H3Cl4"
+275.90021	118403
+276.89404	1267283
+277.89719	153331
+278.89105	610285	"Theoretical m/z 278.8938, Mass diff 0.002 (0 ppm), Formula C10H3Cl4O"
+279.89465	66627
+280.88828	138957
+302.89175	154947
+303.89969	67435
+304.8887	208637
+305.89682	89648
+306.88614	106276
+337.86044	3897879	"Theoretical m/z 337.862092, Mass diff 0.002 (4.89 ppm), SMILES O2C1=CC(=C(C=C1C=3C2=CC(=C(C=3Cl)Cl)Cl)Cl)Cl, Annotation [C12H3Cl5O]+, Rule of HR False"
+338.86359	499002
+339.85733	6338449
+340.86066	773682
+341.85431	3993722
+342.85776	526340
+343.85132	1244759
+344.8548	167498
+345.84818	196391
+
+NAME: 1,2,3,4,7,8-Hexachlorodibenzofuran
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2705.7
+PRECURSORMZ: 373.818206787109
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H2Cl6O
+INCHIKEY: LVYBAQIVPKCOEE-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:65
+83.98744	412015
+84.49141	124623
+85.0069	152672	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+101.47177	204495
+102.4703	156132
+119.45998	240836
+119.95453	179991
+120.45853	249832
+131.97551	202530
+133.00667	168503	"Theoretical m/z 133.007825, Mass diff 0.001 (0 ppm), Formula C11H"
+134.01445	189245
+136.94434	305116
+137.9429	402370
+138.94133	165991
+154.42859	520850
+155.42709	845546
+155.92874	117302
+156.42569	542340
+157.42416	179120
+167.97522	106770
+168.98299	329337	"Theoretical m/z 168.984503, Mass diff 0.001 (0 ppm), Formula C11H2Cl"
+185.91031	347624
+186.90888	663026
+187.90735	533308
+188.90581	255553	"Theoretical m/z 188.906558, Mass diff 0 (0 ppm), Formula C7Cl3"
+202.94388	127447	"Theoretical m/z 202.94553, Mass diff 0.001 (0 ppm), Formula C11HCl2"
+203.95174	167654
+204.94099	112642
+205.94899	108339
+207.03136	103086
+238.92049	1641606	"Theoretical m/z 238.922208, Mass diff 0.001 (0 ppm), Formula C11H2Cl3"
+239.92381	184924
+240.91753	1608416
+241.92052	181259
+242.91458	521865	"Theoretical m/z 242.917123, Mass diff 0.002 (0 ppm), Formula C10H2Cl3O"
+272.88165	101008	"Theoretical m/z 272.883236, Mass diff 0.001 (0 ppm), Formula C11HCl4"
+273.88944	308456
+274.87851	154006
+275.88626	413618
+277.88336	188472
+301.88394	235275
+303.88104	297005
+305.87796	159281
+308.85779	1351186	"Theoretical m/z 308.859913, Mass diff 0.002 (0 ppm), Formula C11H2Cl5"
+309.86139	149845
+310.8548	2167963
+311.85815	249103
+312.85193	1355125	"Theoretical m/z 312.854828, Mass diff 0.002 (0 ppm), Formula C10H2Cl5O"
+313.85529	166490
+314.84894	455049
+336.85239	121079
+337.86047	142662
+338.84961	204519
+339.85742	218386
+340.84668	140317
+341.85431	144647
+371.82129	5115768	"Theoretical m/z 371.823121, Mass diff 0.002 (4.92 ppm), SMILES O2C1=CC(=C(C=C1C3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C12H2Cl6O]+, Rule of HR False"
+372.82462	654202
+373.81824	9910650
+374.82162	1264333
+375.81525	7910841
+376.81863	1012261
+377.81222	3347554
+378.8157	422024
+379.80924	791322
+
+NAME: 1,2,3,4,6,7,8-Heptachlorodibenzofuran
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2904.4
+PRECURSORMZ: 407.779296875
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12HCl7O
+INCHIKEY: WDMKCPIVJOGHBF-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:90
+83.98746	376209
+84.98595	121518	"Theoretical m/z 84.984503, Mass diff -0.002 (0 ppm), Formula C4H2Cl"
+85.00684	159961	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10081	127922
+88.96796	105785
+100.96788	205292
+101.47176	176263
+101.96634	136797
+102.47031	92361
+118.45213	97448
+118.95608	240398
+119.45071	101937
+119.9546	278446
+131.97552	101912
+131.99883	264958	"Theoretical m/z 132, Mass diff 0.001 (0 ppm), Formula C11"
+133.01294	188561
+136.44045	367296
+136.93498	93958
+137.4389	477096
+137.94054	88290
+138.43749	228324
+153.9247	286998
+154.92322	443776	"Theoretical m/z 154.922208, Mass diff -0.002 (0 ppm), Formula C4H2Cl3"
+155.92184	279849
+156.92032	92620
+167.92198	122585
+167.97524	366043
+168.92052	181349
+169.91911	115509
+171.40909	419970
+172.40755	825367
+172.90915	104987
+173.40611	641871
+174.4046	281677
+202.89078	403970
+202.944	841934	"Theoretical m/z 202.94553, Mass diff 0.001 (0 ppm), Formula C11HCl2"
+203.88934	947057
+204.39101	105973
+204.88788	909038
+204.94095	265000
+205.38954	101075
+205.8864	463656
+206.8848	132521
+207.03133	193228
+237.91274	182245
+238.9021	123553
+239.90987	180184
+272.88147	1559710	"Theoretical m/z 272.883236, Mass diff 0.001 (0 ppm), Formula C11HCl4"
+273.88473	188783
+274.87851	1967472
+275.88171	226367
+276.87549	995080	"Theoretical m/z 276.87815, Mass diff 0.002 (0 ppm), Formula C10HCl4O"
+277.87894	106244
+278.87271	227977
+281.04983	88708
+307.85013	273109
+308.83957	123730
+309.84702	444835
+310.85593	90927
+311.84406	272641
+313.84119	99158
+335.84497	178456
+337.84201	308611
+339.83884	212986
+342.81854	1073270	"Theoretical m/z 342.820941, Mass diff 0.002 (0 ppm), Formula C11HCl6"
+343.82217	127639
+344.81561	2098039
+345.819	250194
+346.81262	1637648	"Theoretical m/z 346.815856, Mass diff 0.003 (0 ppm), Formula C10HCl6O"
+347.81592	199400
+348.80966	706381
+349.81357	89606
+350.80667	174577
+371.82111	162316
+372.81049	151024
+373.81836	289197
+374.80731	151048
+375.81519	263277
+377.81241	94918
+405.78232	3763135	"Theoretical m/z 405.78415, Mass diff 0.002 (4.51 ppm), SMILES O2C=1C(=CC(=C(C=1Cl)Cl)Cl)C3=C2C(=C(C(=C3Cl)Cl)Cl)Cl, Annotation [C12HCl7O]+, Rule of HR False"
+406.78564	465027
+407.7793	8475476
+408.78259	1075989
+409.77628	7859968
+410.77963	1047972
+411.77332	4179285
+412.77679	527053
+413.7702	1267749
+414.77383	189196
+415.76709	240505
+
+NAME: 2,3,7,8-Tetrachlorodibenzofuran
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2314.8
+PRECURSORMZ: 305.896606445313
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl4O
+INCHIKEY: KSMVNVHUTQZITP-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:50
+71.98749	28411
+77.03822	28260	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+85.1008	86395
+86.01472	50318	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+89.03821	51646	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+94.04089	33716
+96.98351	41558	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01466	42765
+102.98344	48420
+104.02518	37155	"Theoretical m/z 104.026215, Mass diff 0 (0 ppm), Formula C7H4O"
+104.06158	42255
+110.01463	27396
+120.46779	136392
+120.98332	63396	"Theoretical m/z 120.984503, Mass diff 0.001 (0 ppm), Formula C7H2Cl"
+121.02789	73399
+121.06422	38240
+121.4663	137706
+122.46484	48547
+134.01419	34757
+135.02212	40137	"Theoretical m/z 135.023475, Mass diff 0.001 (0 ppm), Formula C11H3"
+151.94946	138970
+152.94801	189200
+153.94658	67989
+168.98296	27714	"Theoretical m/z 168.984503, Mass diff 0.001 (0 ppm), Formula C11H2Cl"
+170.99867	324558	"Theoretical m/z 171.000153, Mass diff 0.001 (0 ppm), Formula C11H4Cl"
+172.00198	31733
+172.99582	99975
+204.95969	75573	"Theoretical m/z 204.96118, Mass diff 0.001 (0 ppm), Formula C11H3Cl2"
+205.96751	98260
+206.95651	58289
+207.03133	29502
+207.96443	50389
+233.96211	70246
+235.95912	44616
+240.93608	484495	"Theoretical m/z 240.937858, Mass diff 0.001 (0 ppm), Formula C11H4Cl3"
+241.93962	74837
+242.93321	461599
+243.93634	62693
+244.93027	166505	"Theoretical m/z 244.932773, Mass diff 0.002 (0 ppm), Formula C10H4Cl3O"
+268.93112	73071	"Theoretical m/z 268.932239, Mass diff 0.001 (4.16 ppm), SMILES O2C1=CC(=CC=C1C3=CC(=C(C=C23)Cl)Cl)Cl, Annotation [C12H5Cl3O-H]+, Rule of HR True"
+270.92841	73606
+272.92474	26837
+303.89954	1993820
+304.90286	229804
+305.89658	2565849
+306.89993	322339
+307.89362	1203758
+308.89709	165586
+309.89066	239269
+310.89358	32689
+
+NAME: 2,3,7,8-Tetrachlorodibenzo-p-dioxin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2347.7
+PRECURSORMZ: 321.891296386719
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl4O2
+INCHIKEY: HGUFODBRKLSHSI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:52
+74.01477	54881	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+78.91744	22779
+85.0069	60096	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+91.03781	33116
+96.09285	26930
+96.98359	167172	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.10075	29883
+97.98203	70632
+98.98053	60650
+99.11638	23190
+107.97556	25734
+108.98344	59347	"Theoretical m/z 108.983957, Mass diff 0.001 (4.74 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+112.97827	50276	"Theoretical m/z 112.979417, Mass diff 0.001 (0 ppm), Formula C5H2ClO"
+114.97537	37844
+117.06934	21051
+124.03011	22352
+124.97852	19414	"Theoretical m/z 124.978875, Mass diff 0 (2.84 ppm), SMILES OC=1C=CC(=CC=1)Cl, Annotation [C6H5ClO-3H]+, Rule of HR True"
+128.46522	36920
+129.4637	46616
+141.92671	21644
+157.99087	37076
+158.99869	41348	"Theoretical m/z 159.000153, Mass diff 0.001 (0 ppm), Formula C10H4Cl"
+159.9469	107959
+160.9454	140120
+161.94397	70967
+193.96745	299120
+194.97096	49412
+195.96445	196711
+197.96149	21820
+209.01057	22494
+227.92824	22149
+228.93626	49185	"Theoretical m/z 228.937858, Mass diff 0.001 (0 ppm), Formula C10H4Cl3"
+229.92534	26550
+230.93314	47591
+249.95697	56074
+256.931	649644	"Theoretical m/z 256.932773, Mass diff 0.001 (0 ppm), Formula C11H4Cl3O"
+257.9343	83586
+258.9281	662699
+259.93127	67135
+260.92508	209609	"Theoretical m/z 260.927687, Mass diff 0.002 (0 ppm), Formula C10H4Cl3O2"
+284.92572	144895	"Theoretical m/z 284.927143, Mass diff 0.001 (4.99 ppm), SMILES O1C3=CC=C(C=C3(OC2=CC(=C(C=C12)Cl)Cl))Cl, Annotation [C12H5Cl3O2-H]+, Rule of HR True"
+286.92276	133389
+288.91992	35688
+303.89954	19925
+319.89429	1313832
+320.89764	178020
+321.89133	1892614
+322.89462	220382
+323.88837	824183
+324.89163	112288
+325.88538	192190
+326.88861	24085
+
+NAME: 1,2,3,7,8-Pentachlorodibenzo-p-dioxin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2561.6
+PRECURSORMZ: 355.852203369141
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Cl5O2
+INCHIKEY: FSPZPQQWDODWAU-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks:65
+70.07741	71430
+83.97578	95165
+85.0069	59008	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.1008	141399
+86.96281	33984	"Theoretical m/z 86.963767, Mass diff 0 (0 ppm), Formula C3ClO"
+89.03821	47607
+96.98358	113195	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.9727	36175
+98.03584	45820
+98.10858	40700
+98.98056	36988
+107.97562	122223
+108.98349	79374	"Theoretical m/z 108.983957, Mass diff 0 (4.28 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.97262	42600
+112.97839	59196	"Theoretical m/z 112.979417, Mass diff 0 (0 ppm), Formula C5H2ClO"
+113.96397	124428
+114.96243	72353
+118.94445	59333	"Theoretical m/z 118.94553, Mass diff 0.001 (0 ppm), Formula C4HCl2"
+130.9444	112778	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+132.94139	60235
+146.44417	75644
+146.93918	39580	"Theoretical m/z 146.940445, Mass diff 0.001 (0 ppm), Formula C5HCl2O"
+147.44273	45493
+157.991	88692
+176.92726	135451	"Theoretical m/z 176.927687, Mass diff 0 (0 ppm), Formula C3H4Cl3O2"
+177.92581	222364
+178.92436	156063
+179.92279	55711
+191.95187	35658
+192.95962	91682	"Theoretical m/z 192.96118, Mass diff 0.001 (0 ppm), Formula C10H3Cl2"
+194.95662	61990
+220.9543	68169	"Theoretical m/z 220.956095, Mass diff 0.001 (0 ppm), Formula C11H3Cl2O"
+225.04181	63574
+227.92833	582587
+229.9254	556040
+230.92882	55049
+231.92239	126058
+255.9229	43312
+261.88931	33280
+262.89722	82193	"Theoretical m/z 262.898886, Mass diff 0.001 (0 ppm), Formula C10H3Cl4"
+263.88626	44137
+264.89453	106242
+266.89136	46148	"Theoretical m/z 266.8938, Mass diff 0.002 (0 ppm), Formula C9H3Cl4O"
+283.91806	78289
+285.91544	80064
+290.89191	838329	"Theoretical m/z 290.8938, Mass diff 0.001 (0 ppm), Formula C11H3Cl4O"
+291.89536	43383
+292.88892	1295661
+293.89246	133316
+294.88586	589534	"Theoretical m/z 294.888715, Mass diff 0.002 (0 ppm), Formula C10H3Cl4O2"
+295.88895	74755
+296.88284	141466
+318.88657	261786
+320.88358	392468
+321.89163	43782
+322.88049	174951	"Theoretical m/z 322.875564, Mass diff -0.005 (0 ppm), Formula C12H4Cl5"
+353.85522	1899661
+354.85858	260949
+355.8522	3287944
+356.85565	434526
+357.84924	2080464
+358.85266	268404
+359.84622	662351
+360.84952	91109
+361.84317	102904
+
+NAME: 2,3,4,5-Tetrabromo-6-chlorotoluene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2139.4
+PRECURSORMZ: 442.66254
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C7H3Br4Cl
+INCHIKEY: WMXWTOJJASZOCL-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=C(C(=C1Br)Br)Br)Br)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 110
+70.0774	180154
+71.08521	103331
+78.91746	125768	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.92526	58219
+80.91542	86714
+81.92323	104916
+82.46612	85472
+82.96112	56339
+83.46512	93803
+83.99912	119886	"Theoretical m/z 84, Mass diff 0 (0 ppm), Formula C7"
+84.09302	356789
+85.00693	587156	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.1008	354495
+86.01472	767389	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02256	926812	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.0259	93524
+94.96787	70665	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.97571	204682
+96.98363	98303	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+100.45432	76511
+101.45326	72986
+116.93288	148890	"Theoretical m/z 116.933987, Mass diff 0.001 (0 ppm), Formula C3H2Br"
+118.93084	158891
+119.97557	91303
+120.98339	351711	"Theoretical m/z 120.984503, Mass diff 0.001 (0 ppm), Formula C7H2Cl"
+121.99121	450866
+122.9804	227976
+123.98832	134090
+139.40939	161812
+139.92497	185465
+140.40823	363991
+140.93278	231625	"Theoretical m/z 140.933987, Mass diff 0.001 (0 ppm), Formula C5H2Br"
+141.40717	240654
+141.92287	207982
+142.40578	59174
+142.93063	106986
+152.89133	54384
+162.383	98744
+162.91701	100791	"Theoretical m/z 162.918337, Mass diff 0.001 (0 ppm), Formula C7Br"
+163.38193	103829
+163.92473	141829
+164.93262	422610	"Theoretical m/z 164.933987, Mass diff 0.001 (0 ppm), Formula C7H2Br"
+165.94034	241115
+166.93054	336089
+167.93837	129396
+179.37224	191346
+180.37112	600544
+181.37001	665034
+182.36887	322197
+185.8856	60699
+187.88333	86765
+198.89349	166187	"Theoretical m/z 198.895015, Mass diff 0.001 (0 ppm), Formula C7HBrCl"
+199.90126	141566
+200.90907	1228372	"Theoretical m/z 200.910665, Mass diff 0.001 (0 ppm), Formula C7H3BrCl"
+201.89916	272372
+202.90684	1340701
+203.90988	171702
+204.9041	349937
+207.03134	55347
+207.83316	57044
+231.83293	100794
+244.85841	289289	"Theoretical m/z 244.860149, Mass diff 0.001 (0 ppm), Formula C7H3Br2"
+246.85638	409568
+248.85434	164364
+278.81934	656658	"Theoretical m/z 278.820611, Mass diff 0.001 (4.56 ppm), SMILES C1=CC(=C(C(=C1C)Cl)Br)Br, Annotation [C7H5Br2Cl-3H]+, Rule of HR True"
+279.82736	706444
+280.81717	1638043
+280.83597	111873
+281.82507	1557792
+282.81488	1278674
+283.82291	1104027
+284.81232	374713
+285.82019	224641
+322.76834	71882
+323.77643	65834
+324.76645	242112
+325.77441	219886
+326.76456	332662
+327.77212	207704
+328.78012	169550
+329.7699	64203
+357.7373	138268
+358.74509	958731	"Theoretical m/z 358.746784, Mass diff 0.002 (4.72 ppm), SMILES C=1C(=C(C(=C(C=1Br)Br)Br)Cl)C, Annotation [C7H4Br3Cl-H]+, Rule of HR True"
+359.73498	603552
+360.74289	3077293
+361.73267	940774
+362.74066	3625438
+363.74674	747613
+364.73828	1798568
+365.74445	273572
+366.73572	290722
+377.74545	88643
+379.74359	98043
+402.69455	172149	"Theoretical m/z 402.696277, Mass diff 0.002 (4.29 ppm), SMILES C1=C(C(=C(C(=C1Br)Br)Br)Br)C, Annotation [C7H4Br4-H]+, Rule of HR True"
+404.69229	610688
+406.69025	884280
+407.69385	75985
+408.68829	588617
+410.68604	136738
+437.66309	751330	"Theoretical m/z 437.665131, Mass diff 0.002 (4.66 ppm), SMILES C1(=C(C(=C(C(=C1Br)Br)Br)Br)Cl)C, Annotation [C7H3Br4Cl]+, Rule of HR False"
+438.66766	89517
+439.66089	3288890
+440.66437	296848
+441.65872	5408640
+442.66254	435589
+443.65646	4313496
+444.66016	305339
+445.65411	1559254
+446.65793	109547
+447.6517	222020
+
+NAME: 2,3,4,5,6-Pentabromotoluene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2270.3
+PRECURSORMZ: 486.61273
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C7H3Br5
+INCHIKEY: OZHJEQVYCBTHJT-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 95
+70.07741	223348
+71.08522	154438
+77.03825	45757
+78.91745	82155	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.92527	52398
+80.91541	144227
+81.92325	124688
+82.46611	164197
+82.96121	69418
+83.46511	182390
+83.99912	117273	"Theoretical m/z 84, Mass diff 0 (0 ppm), Formula C7"
+84.09302	343966
+85.00694	573296	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10081	457101
+86.01471	713552	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02257	937892	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.0304	130846
+99.11639	89135
+114.91727	42734	"Theoretical m/z 114.918337, Mass diff 0.001 (0 ppm), Formula C3Br"
+115.925	45941
+116.93285	168658	"Theoretical m/z 116.933987, Mass diff 0.001 (0 ppm), Formula C3H2Br"
+118.93088	137341
+122.42898	124616
+123.42789	192292
+124.42689	82123
+138.91707	78039	"Theoretical m/z 138.918337, Mass diff 0.001 (0 ppm), Formula C5Br"
+139.92496	308162
+140.93275	151885	"Theoretical m/z 140.933987, Mass diff 0.001 (0 ppm), Formula C5H2Br"
+141.92296	314187
+142.93065	71455
+161.38405	139987
+162.383	407318
+162.91701	195110	"Theoretical m/z 162.918337, Mass diff 0.001 (0 ppm), Formula C7Br"
+163.38193	423565
+163.92479	210744
+164.38094	184119
+164.93262	682112	"Theoretical m/z 164.933987, Mass diff 0.001 (0 ppm), Formula C7H2Br"
+165.94043	601326
+166.93057	645650
+167.93835	466319
+168.94615	119085
+196.84102	53742
+201.34695	122287
+202.34589	545006
+203.34488	813543
+203.84648	62254
+204.34381	531764
+205.34283	143160
+207.03139	65641
+207.83308	59966
+219.83286	45841
+229.83492	79547
+231.83295	166138
+233.83098	86991
+242.84277	140949	"Theoretical m/z 242.844499, Mass diff 0.001 (0 ppm), Formula C7HBr2"
+243.85098	109806
+244.85849	1122248	"Theoretical m/z 244.860149, Mass diff 0.001 (0 ppm), Formula C7H3Br2"
+245.84904	251850
+246.85642	1831824
+247.85951	256462
+248.85431	897734
+249.86221	60319
+322.76849	457547	"Theoretical m/z 322.770105, Mass diff 0.002 (5 ppm), SMILES C1=CC(=C(C(=C1C)Br)Br)Br, Annotation [C7H5Br3-3H]+, Rule of HR True"
+323.77652	423019
+324.76645	1427798
+325.77438	1324150
+326.7645	1589852
+327.77234	1325974
+328.76233	702327
+329.77023	427905
+330.77844	94186
+401.68625	87727
+402.69455	549363	"Theoretical m/z 402.696277, Mass diff 0.002 (4.29 ppm), SMILES C=1C(=C(C(=C(C=1Br)Br)Br)Br)C, Annotation [C7H4Br4-H]+, Rule of HR True"
+403.68454	450248
+404.69235	2230552
+405.6825	900923
+406.69025	3175652
+407.69705	898566
+408.68826	2110284
+409.69492	436997
+410.68619	520184
+411.69394	87610
+421.69513	55384
+423.69321	86405
+425.69104	57753
+481.6124	417828	"Theoretical m/z 481.614594, Mass diff 0.002 (4.56 ppm), SMILES C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C, Annotation [C7H3Br5]+, Rule of HR False"
+483.61032	2090589
+484.61511	146128
+485.60825	4075199
+486.61273	274720
+487.60614	3982211
+488.60992	275529
+489.60413	1955834
+490.60754	138370
+491.60187	355383
+
+NAME: 2,3,4,5,6-Pentabromoethylbenzene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2323.7
+PRECURSORMZ: 500.62738
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H5Br5
+INCHIKEY: FIAXCDIQXHJNIX-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 168
+70.0774	255308
+71.08521	160362
+74.01478	245562	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02261	186710	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03825	39022	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.91746	59041	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.92528	50424
+80.91543	66515
+81.92324	80321
+83.99911	54122	"Theoretical m/z 84, Mass diff 0 (0 ppm), Formula C7"
+84.09302	266234
+85.00691	308143	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10081	297415
+86.01469	304742	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02255	80311	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.46609	65277
+88.96996	183704
+89.4739	128885
+89.97786	362094
+90.04604	38989
+90.47287	76466
+90.97679	159185
+92.91542	44935
+97.00684	55763	"Theoretical m/z 97.007825, Mass diff 0 (0 ppm), Formula C8H"
+98.01471	399513
+98.10859	402965
+99.02249	393195	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+99.11639	75562
+100.03031	342880
+101.03812	169586	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+102.04597	109784
+114.91721	41315	"Theoretical m/z 114.918337, Mass diff 0.001 (0 ppm), Formula C3Br"
+116.91512	81601
+127.925	92431
+128.42899	55247
+128.93285	433934	"Theoretical m/z 128.933987, Mass diff 0.001 (0 ppm), Formula C4H2Br"
+129.04413	107558
+129.42796	211000
+129.93184	784682
+130.43579	251387
+130.93083	360340
+131.43475	96835
+138.91708	55755	"Theoretical m/z 138.918337, Mass diff 0.001 (0 ppm), Formula C5Br"
+139.9249	54985
+140.91513	99175
+141.9229	54553
+142.93072	46442
+151.92487	267593
+152.93282	86074	"Theoretical m/z 152.933987, Mass diff 0.001 (0 ppm), Formula C6H2Br"
+153.92278	267081
+154.93065	71858
+162.3829	101212
+162.91692	46353	"Theoretical m/z 162.918337, Mass diff 0.001 (0 ppm), Formula C7Br"
+163.38196	116165
+163.92482	111566
+164.93257	415281	"Theoretical m/z 164.933987, Mass diff 0.001 (0 ppm), Formula C7H2Br"
+165.92276	140542
+166.93054	373835
+167.88789	81616
+167.93399	39719
+168.39183	46570
+168.88692	160667
+169.39093	118080
+169.88579	204681
+170.38995	112857
+170.89366	89696
+175.92462	91862
+176.93243	59909	"Theoretical m/z 176.933987, Mass diff 0.001 (0 ppm), Formula C8H2Br"
+177.94034	265478
+178.94821	210601	"Theoretical m/z 178.949637, Mass diff 0.001 (0 ppm), Formula C8H4Br"
+179.95598	853154
+180.9462	220076
+181.9539	657910
+182.95724	77560
+196.84108	53161
+206.95418	72758
+207.03137	80316
+207.83334	47852
+208.35454	40428
+208.95224	72378
+209.3537	182946
+210.35266	252088
+211.35156	158673
+212.35054	42864
+219.83316	42373
+220.8409	46754
+229.83499	153681
+231.83293	332391
+232.84126	79588
+233.83087	187147
+242.84279	72491	"Theoretical m/z 242.844499, Mass diff 0.001 (0 ppm), Formula C7HBr2"
+243.85056	82446
+244.8408	157930
+245.84865	160120
+246.85706	135082
+247.8468	84207
+248.85417	41371
+256.85907	67183	"Theoretical m/z 256.860149, Mass diff 0.001 (0 ppm), Formula C8H3Br2"
+257.86624	532758
+258.87457	294901
+259.86429	1006883
+260.87265	412272
+261.86221	575991
+262.87036	176371
+263.87793	67554
+281.04987	40838
+310.75134	53464
+311.759	74812
+312.74835	50883
+313.75665	84088
+322.76849	179883	"Theoretical m/z 322.770661, Mass diff 0.002 (0 ppm), Formula C7H2Br3"
+324.76642	542690
+325.77368	87811
+326.76428	586124
+327.77136	81844
+328.76239	214591
+335.77606	50829
+336.78394	60343
+337.7919	435768
+338.78217	245767
+339.78982	1014634
+340.77988	343395
+341.78775	915226
+342.7948	211474
+343.78561	319554
+344.79385	56623
+391.685	50768
+393.68289	46580
+401.68665	160518
+402.69455	127183
+403.68454	614644
+404.69232	429618
+405.68259	919887
+406.69019	575013
+407.68045	612053
+408.68826	369247
+409.67859	141849
+410.68579	89327
+416.71014	219363	"Theoretical m/z 416.711902, Mass diff 0.002 (4.23 ppm), SMILES C=1C(=C(C(=C(C=1Br)Br)Br)Br)CC, Annotation [C8H6Br4-H]+, Rule of HR True"
+417.70175	151378
+418.70801	851186
+419.71552	413664
+420.70593	1222938
+421.71326	508477
+422.70386	789058
+423.71146	295354
+424.70157	210096
+425.71018	69050
+480.60443	409083	"Theoretical m/z 480.606769, Mass diff 0.002 (4.87 ppm), SMILES C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C, Annotation [C7H3Br5-H]+, Rule of HR True"
+482.60242	1931526
+483.60623	143832
+484.60037	3821347
+485.60348	268505
+486.5983	3723596
+487.60205	256964
+488.59619	1758766
+489.59961	122980
+490.59433	336186
+495.62802	352401	"Theoretical m/z 495.63025, Mass diff 0.002 (4.5 ppm), SMILES C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)CC, Annotation [C8H5Br5]+, Rule of HR False"
+497.62601	1736174
+498.63007	138090
+499.62393	3380960
+500.62738	267579
+501.62189	3264486
+502.62503	280085
+503.61981	1564541
+504.62393	128788
+505.61786	287181
+
+NAME: 2,3,5,6-Tetrabromo-p-xylene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2051.4
+PRECURSORMZ: 421.7138
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H6Br4
+INCHIKEY: RXKOKVQKECXYOT-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=C(C(=C1Br)Br)C)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 72
+70.07739	158694
+71.08521	89757
+74.01478	319287	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02263	446989	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03043	263027	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+84.09302	210136
+85.00694	209315	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10081	285367
+86.01471	246000	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02258	296697	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.97	78223
+89.47398	76088
+89.97785	1051418
+90.47953	172756
+90.97681	944884
+91.47844	102713
+92.93308	70491	"Theoretical m/z 92.933987, Mass diff 0 (0 ppm), Formula CH2Br"
+98.01469	325705
+98.10858	363576
+99.02251	221238	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.03033	240828
+101.03817	350259	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+102.04596	1662426	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05376	210155	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+116.93285	99589	"Theoretical m/z 116.933987, Mass diff 0.001 (0 ppm), Formula C3H2Br"
+128.93285	238509	"Theoretical m/z 128.933987, Mass diff 0.001 (0 ppm), Formula C4H2Br"
+129.0441	217005
+129.93185	467967
+130.93082	374596
+131.93858	97363
+139.92482	98349
+140.93275	119798	"Theoretical m/z 140.933987, Mass diff 0.001 (0 ppm), Formula C5H2Br"
+142.93066	102514
+164.93257	83532	"Theoretical m/z 164.933987, Mass diff 0.001 (0 ppm), Formula C7H2Br"
+166.93054	97274
+169.39954	113851
+170.39854	292593
+171.39749	254440
+172.39648	90063
+178.94824	72672	"Theoretical m/z 178.949637, Mass diff 0.001 (0 ppm), Formula C8H4Br"
+179.95598	916192
+180.96374	808883	"Theoretical m/z 180.965287, Mass diff 0.001 (0 ppm), Formula C8H6Br"
+181.95389	991511
+182.96172	741205
+183.96512	91348
+258.87408	718769	"Theoretical m/z 258.875238, Mass diff 0.001 (4.47 ppm), SMILES C1=CC(=C(C(=C1C)Br)Br)C, Annotation [C8H8Br2-3H]+, Rule of HR True"
+259.88217	1133236
+260.87207	1509993
+261.87997	2152759
+262.87009	998278
+263.87793	1008007
+264.88675	146440
+278.88257	73367
+337.7919	201560
+338.79965	1692716
+339.7898	704172
+340.79758	5111128
+341.78778	1015117
+342.79547	4934760
+343.80035	628564
+344.79343	1551549
+345.79895	146888
+417.71793	1185782	"Theoretical m/z 417.719727, Mass diff 0.002 (4.3 ppm), SMILES C1(=C(C(=C(C(=C1Br)Br)C)Br)Br)C, Annotation [C8H6Br4]+, Rule of HR False"
+418.72165	153695
+419.71588	4800734
+420.71945	454165
+421.71381	6934666
+422.71728	598457
+423.7117	4501896
+424.715	397486
+425.7096	1084233
+426.71256	87238
+
+NAME: Allyl 2,4,6-tribromophenyl ether
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1753.5
+PRECURSORMZ: 370.80383
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H7Br3O
+INCHIKEY: RZLLIOPGUFOWOD-UHFFFAOYSA-N
+INCHI: 
+SMILES: C=CCOC1=C(C=C(C=C1Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 168
+71.08521	44628
+72.08854	7278
+73.04649	7995
+74.01479	19564	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+76.03043	6422	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+77.03824	11169	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.91747	18934	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.9253	6238
+80.91542	4038
+81.92323	10644
+82.07738	4743
+84.04408	2997
+85.00692	8052	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.06445	17558
+88.03046	7935	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+90.04604	11256	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+93.05685	4582
+94.93104	8834
+95.08512	14659
+96.0566	7446
+96.09295	8442
+97.06444	4133
+97.1008	5534
+99.08003	7480
+99.11639	8505
+100.02617	5056
+100.11973	7422
+102.04595	21063	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05377	20532	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.0616	14305
+105.06946	6834
+106.04092	4325	"Theoretical m/z 106.041865, Mass diff 0 (0 ppm), Formula C7H6O"
+110.03567	7522
+111.07996	2621
+111.11634	8436
+113.13186	6830
+115.0537	4917	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+115.92508	3567
+116.06145	2800
+116.93287	10101	"Theoretical m/z 116.933987, Mass diff 0.001 (0 ppm), Formula C3H2Br"
+117.06934	10556
+117.92313	4209
+118.07713	11565
+118.93102	2527
+120.09284	8524
+121.06427	5147
+122.07201	7156
+124.06247	5517
+124.94141	3098
+125.13201	5030
+126.04587	3933
+126.13964	12990
+127.14745	4976
+128.15533	10634
+129.06931	3278
+130.07715	3868
+131.04854	55656	"Theoretical m/z 131.04969, Mass diff 0.001 (0 ppm), Formula C9H7O"
+132.05638	5270
+133.01289	3867
+135.11603	4042
+137.04109	3875
+139.92484	11334
+140.93275	109630	"Theoretical m/z 140.933987, Mass diff 0.001 (0 ppm), Formula C5H2Br"
+141.16293	3563
+141.92668	3708
+142.07698	2933
+142.93069	111460
+147.11597	4148
+149.0226	25788
+152.06123	9479
+152.93254	17938	"Theoretical m/z 152.933987, Mass diff 0.001 (0 ppm), Formula C6H2Br"
+153.92287	3368
+154.93059	11848
+155.08481	5295
+155.1786	3765
+156.09258	6477
+157.10036	4143
+159.07947	4756
+159.11594	6463
+161.13171	3317
+164.06128	3735
+165.06902	6508
+167.03294	3582
+168.09219	8276
+169.10031	5985
+169.9353	4237
+171.11603	4350
+179.08458	4022
+188.04584	5532
+191.08458	5332
+191.17806	5674
+193.10017	5487
+194.84302	17885	"Theoretical m/z 194.844499, Mass diff 0.001 (0 ppm), Formula C3HBr2"
+194.9951	6357
+195.11591	4326
+195.9507	7590
+196.84096	27920
+196.97435	2474
+197.94882	8363
+198.83873	17244	"Theoretical m/z 198.839414, Mass diff 0 (0 ppm), Formula C2HBr2O"
+200.9722	3055
+207.03136	7432
+208.95865	46085	"Theoretical m/z 208.959649, Mass diff 0.001 (4.78 ppm), SMILES O(C=1C=CC(=CC=1)Br)CC=C, Annotation [C9H9BrO-3H]+, Rule of HR True"
+209.01062	6904
+209.96649	226202
+210.95659	73378
+210.9899	17919
+211.96443	246070
+212.9678	23657
+219.85056	18302
+220.85864	22807	"Theoretical m/z 220.860149, Mass diff 0.001 (0 ppm), Formula C5H3Br2"
+221.84842	34791
+222.85646	24368
+223.8465	15672
+224.85463	5856
+225.04184	12483
+227.02107	11550
+227.17807	2914
+231.85049	9887
+233.84882	22279
+235.84668	8008
+246.23325	2989
+247.84544	22000
+249.84343	61747
+251.85921	32469
+262.88788	6263
+265.01883	2855
+267.99777	4191
+274.86899	10664	"Theoretical m/z 274.870172, Mass diff 0.001 (4.3 ppm), SMILES O(C=1C=CC(=CC=1Br)Br)CC, Annotation [C8H8Br2O-3H]+, Rule of HR True"
+276.86679	9465
+278.86462	8130
+280.88113	2861
+281.04977	11269
+282.04993	9154
+285.00848	8532
+286.8688	9905	"Theoretical m/z 286.870714, Mass diff 0.001 (0 ppm), Formula C9H5Br2O"
+287.87637	3261
+288.88443	80477	"Theoretical m/z 288.885822, Mass diff 0.001 (4.82 ppm), SMILES O(C=1C=CC(=CC=1Br)Br)CC=C, Annotation [C9H8Br2O-H]+, Rule of HR True"
+289.87479	4785
+290.88251	142169
+291.88675	4467
+292.88031	47939
+293.88678	3709
+298.76852	64102	"Theoretical m/z 298.770661, Mass diff 0.002 (0 ppm), Formula C5H2Br3"
+300.76657	177258
+301.77017	9300
+302.76453	182095	"Theoretical m/z 302.765576, Mass diff 0 (0 ppm), Formula C4H2Br3O"
+304.76233	45728
+326.76352	44990	"Theoretical m/z 326.765033, Mass diff 0.002 (4.63 ppm), SMILES OC1=C(C=C(C=C1Br)Br)Br, Annotation [C6H3Br3O-H]+, Rule of HR True"
+326.9646	5211
+327.77161	30081
+328.76138	121589
+329.76929	108661
+330.75934	136478
+331.76736	98991
+332.75736	45434	"Theoretical m/z 332.755011, Mass diff -0.003 (0 ppm), Formula C8Br3"
+333.7652	29981
+355.0679	2669
+359.02725	5293
+360.02823	2494
+367.80261	27555	"Theoretical m/z 367.804139, Mass diff 0.002 (4.16 ppm), SMILES O(C1=C(C=C(C=C1Br)Br)Br)CC=C, Annotation [C9H7Br3O]+, Rule of HR False"
+369.80014	99362
+370.80383	8497
+371.79846	87870
+373.79602	35029
+400.98273	4142
+415.03543	2652
+537.39087	6097
+
+NAME: 2-Bromoallyl(2,4,6-tribromophenyl) ether
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2060.1
+PRECURSORMZ: 449.70844
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H6Br4O
+INCHIKEY: RLPZXGWCSHFKJI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C=C(COC1=C(C=C(C=C1Br)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 103
+70.0774	29037
+73.04651	11368
+77.03825	17989	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.91746	12952	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+78.98431	8214
+79.05389	11826	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+79.92528	12535
+81.92322	17954
+90.04606	14691	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+92.02524	6775	"Theoretical m/z 92.026215, Mass diff 0 (0 ppm), Formula C6H4O"
+92.93309	14075	"Theoretical m/z 92.933437, Mass diff 0 (3.73 ppm), SMILES CBr, Annotation [CH3Br-H]+, Rule of HR True"
+95.93879	7499
+96.09291	17498
+97.02799	7706
+97.06438	10144
+99.11639	36721
+103.05378	10008	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06158	22489
+115.92504	10215
+116.93292	10369	"Theoretical m/z 116.933987, Mass diff 0.001 (0 ppm), Formula C3H2Br"
+117.06933	6054
+117.92309	11480
+118.94858	69579	"Theoretical m/z 118.949085, Mass diff 0 (4.24 ppm), SMILES C=C(C)Br, Annotation [C3H5Br-H]+, Rule of HR True"
+120.94647	82802
+121.06426	8341
+122.03572	10684
+122.07202	6144
+122.94339	12748
+123.07988	7046
+123.11632	8388
+128.15533	5870
+129.06928	10867
+130.07713	17462
+133.10046	6910
+139.92505	11111
+140.93272	145114	"Theoretical m/z 140.933987, Mass diff 0.001 (0 ppm), Formula C5H2Br"
+141.92679	17874
+142.93072	158148
+147.11609	10242
+152.93262	16093	"Theoretical m/z 152.933987, Mass diff 0.001 (0 ppm), Formula C6H2Br"
+154.93056	12344
+156.0802	6467
+171.95094	10798
+186.99301	7403
+189.06877	6008
+190.99992	12048
+194.84305	13362	"Theoretical m/z 194.844499, Mass diff 0.001 (0 ppm), Formula C3HBr2"
+194.99489	7298
+196.84079	34752
+198.83878	14638	"Theoretical m/z 198.839414, Mass diff 0 (0 ppm), Formula C2HBr2O"
+200.97208	6182
+208.95862	156522	"Theoretical m/z 208.960202, Mass diff 0.001 (0 ppm), Formula C9H6BrO"
+209.96193	19587
+210.9566	142346
+211.9599	13333
+219.85074	29335
+220.85881	33762	"Theoretical m/z 220.860149, Mass diff 0.001 (0 ppm), Formula C5H3Br2"
+221.08322	10151
+221.84882	52504
+222.85666	38018
+223.8466	24645
+224.85428	18290
+231.85017	11314
+233.84878	15386
+235.84638	6572
+247.84549	43321
+249.84343	69236
+251.84154	54018
+265.01865	6593
+268.91693	5952
+286.86887	92203	"Theoretical m/z 286.870172, Mass diff 0.001 (4.54 ppm), SMILES O(C=1C=CC(=CC=1)Br)CC(=C)Br, Annotation [C9H8Br2O-3H]+, Rule of HR True"
+287.87695	111971
+288.86679	180227
+289.87488	181271
+290.8649	78478
+291.87277	99905
+298.76852	86924	"Theoretical m/z 298.770661, Mass diff 0.002 (0 ppm), Formula C5H2Br3"
+300.7666	248450
+302.7645	238680	"Theoretical m/z 302.765576, Mass diff 0.001 (0 ppm), Formula C4H2Br3O"
+303.76816	9869
+304.76263	82447
+315.03098	7208
+324.78421	32589	"Theoretical m/z 324.786311, Mass diff 0.002 (0 ppm), Formula C7H4Br3"
+326.78201	226308
+327.77124	201769
+328.76144	432547
+329.7692	577302
+330.7594	327602
+331.76712	577667
+332.75736	126964	"Theoretical m/z 332.755011, Mass diff -0.003 (0 ppm), Formula C8Br3"
+333.76498	183611
+334.76877	7565
+366.7948	24803	"Theoretical m/z 366.796314, Mass diff 0.002 (4.13 ppm), SMILES O(C=1C=CC(=CC=1Br)Br)CC(=C)Br, Annotation [C9H7Br3O-H]+, Rule of HR True"
+367.78488	12762
+368.79254	84848
+369.78284	15374
+370.7904	79145
+371.7944	6095
+372.78854	22852
+429.08691	7522
+447.71115	39674
+449.70844	47002
+451.7067	27610
+
+NAME: Pentabromobenzene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2083.6
+PRECURSORMZ: 472.59586
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6HBr5
+INCHIKEY: LLVVSBBXENOOQY-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C(C(=C(C(=C1Br)Br)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 84
+70.0774	171362
+71.0852	122262
+73.00694	81849	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+77.03823	76934
+78.91746	78459	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.05389	187035
+80.91542	93668
+81.92322	41408
+84.09302	131440
+85.1008	393336
+89.0382	45161
+90.04603	64502
+90.91745	47065	"Theoretical m/z 90.918337, Mass diff 0 (0 ppm), Formula CBr"
+92.91534	54461
+98.10858	50627
+99.11639	50027
+105.06944	275270
+106.07721	46128
+107.08506	40514
+114.91718	71816	"Theoretical m/z 114.918337, Mass diff 0.001 (0 ppm), Formula C3Br"
+115.91628	80210
+116.91518	82573
+127.92495	41162
+129.92305	44440
+151.92484	959583
+152.92809	111151
+153.92278	945493
+154.87999	215999
+154.92609	77315
+155.87901	401538
+156.87801	409257
+157.87703	132109
+184.99512	72587
+186.993	81415
+195.83321	44243
+207.8331	79196
+209.83116	42247
+229.8351	144056
+230.84285	237722	"Theoretical m/z 230.844499, Mass diff 0.001 (0 ppm), Formula C6HBr2"
+231.83296	320305
+232.84087	470732
+233.83095	240753
+234.83879	430977
+235.79599	380988
+236.79498	361930
+237.79392	189018
+266.91898	47302
+309.76074	296863
+311.75867	872982
+312.7623	63599
+313.75662	850414
+314.7597	56424
+315.75443	290341
+327.77106	72632
+329.76916	140519
+331.76715	104474
+340.77289	50995
+342.77084	42548
+388.67865	43675
+389.68674	68204
+390.67688	164742
+391.68457	239267
+392.67465	250100
+393.68256	349230
+394.67248	169308
+395.6803	223225
+396.67038	45660
+397.67822	50323
+416.68521	146641
+418.6828	563087
+420.68094	835452
+421.71463	40523
+422.67886	531641
+424.6766	127670
+467.59665	416957	"Theoretical m/z 467.598939, Mass diff 0.002 (4.89 ppm), SMILES C1=C(C(=C(C(=C1Br)Br)Br)Br)Br, Annotation [C6HBr5]+, Rule of HR False"
+469.5946	2055796
+470.59802	131115
+471.59247	4038278
+472.59586	251754
+473.59039	3891446
+474.59366	242854
+475.58832	1867185
+476.59128	117455
+477.58652	362771
+
+NAME: Hexabromobenzene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2475.3
+PRECURSORMZ: 551.5015
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6Br6
+INCHIKEY: CAYGQBVSOZLICD-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 109
+70.0774	169091
+71.0852	117573
+77.03824	45010
+78.91745	128847	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.92524	48648
+80.91541	168003
+84.09302	179900
+85.1008	180936
+90.00967	323202
+90.91742	116693	"Theoretical m/z 90.918337, Mass diff 0 (0 ppm), Formula CBr"
+92.91537	113323
+98.10858	61470
+100.00514	65931
+114.91727	445211	"Theoretical m/z 114.918337, Mass diff 0.001 (0 ppm), Formula C3Br"
+115.91622	547316
+116.91519	462798
+138.91713	120789	"Theoretical m/z 138.918337, Mass diff 0.001 (0 ppm), Formula C5Br"
+140.93275	155174
+150.91702	222313	"Theoretical m/z 150.918337, Mass diff 0.001 (0 ppm), Formula C6Br"
+151.9248	236725
+152.91489	241055
+153.92279	225327
+154.3762	164479
+155.37514	483904
+155.87947	98391
+156.3741	491692
+156.87819	89981
+157.37315	167631
+159.83313	43840
+166.91197	103773
+168.90973	102105
+178.92296	65905
+180.92102	53284
+193.83514	182035
+194.83411	609633
+195.8331	995186
+196.33458	63680
+196.83205	641625
+197.33369	44786
+197.83098	195837
+205.83496	59984
+207.03134	45417
+207.83312	134058
+209.83095	50980
+229.83502	1272968
+230.83749	102584
+231.83295	2575582
+232.83542	214753
+233.83089	1259747
+234.83324	126863
+235.29242	46991
+235.79598	77126
+236.79509	51348
+273.75232	248066
+274.75119	607608
+275.75009	774888
+276.74912	580335
+277.74814	220875
+308.75287	230265	"Theoretical m/z 308.755011, Mass diff 0.002 (0 ppm), Formula C6Br3"
+309.76114	68378
+310.75088	685518
+311.75922	176555
+312.74878	660256
+313.75717	185911
+314.7468	229888
+315.75491	64364
+387.67099	267038
+389.66898	1014147
+390.67212	74839
+391.66696	1611999
+392.67084	103202
+393.66498	1097852
+394.66901	69515
+395.6626	319548
+405.66373	87579
+407.66153	161502
+408.67001	57538
+409.65958	123026
+418.68265	143928
+420.681	194887
+422.67877	141510
+466.58829	98377
+467.59589	82715
+468.58667	453001
+469.59445	499028
+470.5845	903311
+471.59241	963435
+472.58224	852208
+473.59033	929912
+474.57974	401928
+475.58816	442234
+476.5766	59911
+477.58655	80551
+496.59314	142228
+498.59091	265700
+500.5889	266535
+502.58701	131329
+545.50775	231656	"Theoretical m/z 545.509461, Mass diff 0.002 (3.14 ppm), SMILES C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br, Annotation [C6Br6]+, Rule of HR False"
+547.50568	1396324
+548.50922	92247
+549.50366	3364383
+550.50714	218832
+551.50153	4362586
+552.50488	264336
+553.49945	3040230
+554.50311	176639
+555.4975	1161256
+556.50134	73336
+557.49524	146273
+
+NAME: 2,3,4,5,6-Pentabromobenzyl alcohol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2726
+PRECURSORMZ: 500.577
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C7H3Br5O
+INCHIKEY: KKWHDMUCBWSKGL-UHFFFAOYSA-N
+INCHI: 
+SMILES: C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 195
+71.08522	25616
+73.04649	16313
+74.01475	2282	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+78.04608	7067
+79.92528	13188
+80.06167	2245
+80.91543	10298
+81.52651	2275
+84.09302	3510
+85.00695	24237	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.1008	62605
+86.01469	17134	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+89.03819	3020
+93.94089	4180
+95.08513	15319
+95.93884	2751
+96.09293	9393
+96.99341	4190
+97.06442	5928
+97.10078	24815
+98.07225	4255
+98.10859	40128
+100.11984	5447
+102.04596	8202
+104.0616	15506
+105.06945	5918
+106.04088	20615
+107.04869	6117
+109.10073	6901
+111.04359	2415
+111.11633	6357
+112.12415	5914
+118.93076	3818
+118.99738	4788
+119.08495	2554
+120.97665	3137
+121.06422	8149
+122.03567	7677
+122.10838	11228
+124.06261	2664
+124.12405	2748
+125.13191	8503
+126.13967	2475
+126.90338	8509
+128.00171	4690
+133.01291	2140
+133.06432	7303
+134.07201	2733
+137.00775	3042
+138.10321	2594
+141.92673	8487
+142.94852	5531	"Theoretical m/z 142.949637, Mass diff 0.001 (0 ppm), Formula C5H4Br"
+143.08489	4965
+144.05608	2765
+145.06413	9472
+149.02261	14037
+150.13954	3030
+151.02336	7458
+151.92488	16459
+153.92274	21388
+155.08469	8248
+161.13165	4051
+162.3828	5478
+163.14719	7919
+163.38202	5556
+163.92462	6141
+164.93269	45745	"Theoretical m/z 164.933987, Mass diff 0.001 (0 ppm), Formula C7H2Br"
+164.94814	2236
+164.98463	4569
+165.16293	5501
+165.92281	13452
+165.991	2888
+166.07683	6344
+166.93069	42865
+167.0331	7689
+167.08453	9440
+171.01305	2962
+173.94894	6602
+181.06381	2391
+183.07953	3154
+184.0873	3495
+188.04585	2350
+189.05373	3233
+189.16255	4409
+192.09244	2423
+192.97934	11310
+193.19428	3073
+198.97412	2497
+200.97211	3350
+202.07663	2321
+207.03137	21803
+210.98988	4136
+211.98912	5074
+212.98665	5264
+213.08998	9381
+213.99799	2275
+217.19392	2413
+219.20966	3345
+229.00032	4669
+229.83487	18142
+231.83286	41296
+232.84097	14347
+233.22525	4798
+233.83093	28689
+234.83899	3354
+239.09381	4595
+239.17848	3662
+242.84291	3537	"Theoretical m/z 242.844499, Mass diff 0.001 (0 ppm), Formula C7HBr2"
+243.85065	8855
+244.85846	22057	"Theoretical m/z 244.860149, Mass diff 0.001 (0 ppm), Formula C7H3Br2"
+245.84869	14295
+246.85648	24380
+247.84634	8739
+248.85452	7354
+251.85881	2434
+253.01553	3170
+265.01865	3068
+268.97723	4183
+278.88248	4366
+280.88065	3444
+284.0296	5198
+287.0051	3805
+300.05957	7390
+310.75073	10910
+311.75867	27214
+312.74808	8229	"Theoretical m/z 312.749926, Mass diff 0.001 (0 ppm), Formula C5Br3O"
+313.75674	21364
+315.77182	8147
+322.76877	25260	"Theoretical m/z 322.770105, Mass diff 0.001 (4.14 ppm), SMILES C1=CC(=C(C(=C1C)Br)Br)Br, Annotation [C7H5Br3-3H]+, Rule of HR True"
+324.76642	77547
+325.77496	10598
+326.76413	80459	"Theoretical m/z 326.765576, Mass diff 0.001 (0 ppm), Formula C6H2Br3O"
+327.772	4648
+328.76248	19904
+329.0134	9134
+329.76874	8175
+340.76099	8000
+342.01657	5732
+346.08563	5458
+368.79257	7644
+369.78207	4190
+370.79175	3156
+386.99991	4244
+389.66888	6198
+391.02826	2605
+391.68396	35056
+393.68246	24963
+394.78925	7896
+395.68002	16775
+396.78711	31115
+398.78516	36902
+399.00287	3139
+400.67932	5489	"Theoretical m/z 400.680627, Mass diff 0.001 (3.26 ppm), SMILES C=1C(=C(C(=C(C=1Br)Br)Br)Br)C, Annotation [C7H4Br4-3H]+, Rule of HR True"
+400.78268	6331
+401.68646	5631
+402.67676	27703
+403.03113	6277
+403.68469	25289
+404.67459	61363	"Theoretical m/z 404.676088, Mass diff 0.001 (0 ppm), Formula C6HBr4O"
+405.08093	4225
+405.68265	56465
+406.08264	3270
+406.67236	51678
+407.67996	35051
+408.68805	11131
+409.67783	5647
+415.03528	4144
+420.66919	6325
+421.6774	7838
+423.67529	3482
+429.08676	10109
+444.70407	7225
+446.70264	38055
+447.34491	4570
+448.34836	5852
+448.7005	46793
+450.69842	35036
+452.69598	6655
+472.699	32926
+473.59164	4567
+474.69717	140044
+475.70007	6836
+476.69531	212276
+477.69846	21711
+478.69312	114165
+479.69635	17491
+480.69134	33788
+482.60236	23731
+483.60962	5027
+484.59994	33489	"Theoretical m/z 484.60225, Mass diff 0.002 (0 ppm), Formula C6H2Br5O"
+485.60779	17657
+486.59839	30758
+487.60562	17996
+488.59601	16229
+498.57925	6095
+
+NAME: 2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2834.1
+PRECURSORMZ: 537.39209
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H18Br4O2
+INCHIKEY: HVDXCGSGEQKWGB-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCC(CC)COC(=O)C1=CC(=C(C(=C1Br)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 114
+70.07741	318443	"Theoretical m/z 70.077704, Mass diff 0 (4.19 ppm), SMILES CCCCC, Annotation [C5H12-2H]+, Rule of HR False"
+71.08522	70004	"Theoretical m/z 71.085529, Mass diff 0 (4.35 ppm), SMILES CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+72.08856	8585
+74.01481	9923	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+77.03825	9696	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.91748	15626	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.0539	622032	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+79.92529	19025
+80.06171	114970	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+80.91544	29513
+81.06956	103410	"Theoretical m/z 81.069878, Mass diff 0 (-3.92 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+81.92325	22520
+82.07737	95876	"Theoretical m/z 82.077702, Mass diff 0 (4.04 ppm), SMILES CCCCCC, Annotation [C6H14-4H]+, Rule of HR False"
+83.08517	404262	"Theoretical m/z 83.085527, Mass diff 0 (4.29 ppm), SMILES CCCCCC, Annotation [C6H14-3H]+, Rule of HR True"
+84.09302	349909	"Theoretical m/z 84.093352, Mass diff 0 (3.95 ppm), SMILES CCCCCC, Annotation [C6H14-2H]+, Rule of HR False"
+88.03035	10634	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+94.04093	34047	"Theoretical m/z 94.041313, Mass diff 0 (-4.07 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08513	40198	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.10078	19932	"Theoretical m/z 97.101175, Mass diff 0 (4.06 ppm), SMILES CCCC(C)CC, Annotation [C7H16-3H]+, Rule of HR True"
+98.03587	10253
+98.07221	11273
+98.10859	39750	"Theoretical m/z 98.109, Mass diff 0 (4.18 ppm), SMILES CCCCCCC, Annotation [C7H16-2H]+, Rule of HR False"
+99.11639	24621	"Theoretical m/z 99.116825, Mass diff 0 (4.39 ppm), SMILES CCCCCCC, Annotation [C7H16-H]+, Rule of HR True"
+109.10075	13614	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+111.11632	16623	"Theoretical m/z 111.117375, Mass diff 0.001 (0 ppm), Formula C8H15"
+112.12416	93634
+117.06934	27784	"Theoretical m/z 117.070425, Mass diff 0.001 (0 ppm), Formula C9H9"
+119.08499	9567	"Theoretical m/z 119.086075, Mass diff 0.001 (0 ppm), Formula C9H11"
+120.09282	14681
+121.10061	9299	"Theoretical m/z 121.101725, Mass diff 0.001 (0 ppm), Formula C9H13"
+123.07994	12083	"Theoretical m/z 123.08099, Mass diff 0.001 (0 ppm), Formula C8H11O"
+123.11626	28305	"Theoretical m/z 123.117375, Mass diff 0.001 (0 ppm), Formula C9H15"
+131.08493	9667	"Theoretical m/z 131.086075, Mass diff 0.001 (0 ppm), Formula C10H11"
+133.10052	10519	"Theoretical m/z 133.101725, Mass diff 0.001 (0 ppm), Formula C10H13"
+136.08768	8524	"Theoretical m/z 136.088815, Mass diff 0.001 (0 ppm), Formula C9H12O"
+147.0797	16825	"Theoretical m/z 147.08099, Mass diff 0.001 (0 ppm), Formula C10H11O"
+147.1161	18154	"Theoretical m/z 147.117375, Mass diff 0.001 (0 ppm), Formula C11H15"
+149.02261	25592
+149.13176	10617	"Theoretical m/z 149.133026, Mass diff 0.001 (0 ppm), Formula C11H17"
+151.9248	148907
+152.06136	17678
+152.93262	11982	"Theoretical m/z 152.933987, Mass diff 0.001 (0 ppm), Formula C6H2Br"
+153.92281	135337
+154.9303	18810
+177.1628	8978
+178.07689	10552	"Theoretical m/z 178.07825, Mass diff 0.001 (0 ppm), Formula C14H10"
+183.07953	10063	"Theoretical m/z 183.08099, Mass diff 0.001 (0 ppm), Formula C13H11O"
+184.08731	14498
+191	21788
+192.97928	22249
+193.10013	13121	"Theoretical m/z 193.101725, Mass diff 0.001 (0 ppm), Formula C15H13"
+207.03139	69176
+208.03058	9831
+210.98993	9028
+212.96906	10278
+230.00003	8804
+230.84293	12510	"Theoretical m/z 230.844499, Mass diff 0.001 (0 ppm), Formula C6HBr2"
+231.85121	33718
+232.84076	119033
+233.84889	75524
+248.98724	13362	"Theoretical m/z 248.991502, Mass diff 0.004 (0 ppm), Formula C12H10BrO"
+251.85895	12644
+253.85689	13088
+255.01239	8287
+258.83777	46963	"Theoretical m/z 258.839414, Mass diff 0.001 (0 ppm), Formula C7HBr2O"
+260.83569	35950
+269.97647	12596
+281.04987	44776	"Theoretical m/z 281.054102, Mass diff 0.004 (0 ppm), Formula C14H18BrO"
+282.04983	18123
+283.02911	17395	"Theoretical m/z 283.033367, Mass diff 0.004 (0 ppm), Formula C13H16BrO2"
+302.76538	9315	"Theoretical m/z 302.765576, Mass diff 0 (0 ppm), Formula C4H2Br3O"
+309.76092	80498
+311.75873	182834
+313.75674	199078
+315.75461	74533
+325.98535	8172
+327.03381	15957
+329.7688	44441
+331.76685	37206
+338.76321	93015
+340.76111	261045
+341.01605	8734
+341.7645	25672
+342.01584	10904
+342.75906	240892	"Theoretical m/z 342.760491, Mass diff 0.001 (0 ppm), Formula C6H2Br3O2"
+342.99542	9652
+343.76218	10447
+344.75745	99622	"Theoretical m/z 344.755011, Mass diff -0.003 (0 ppm), Formula C9Br3"
+356.75671	30397	"Theoretical m/z 356.755011, Mass diff -0.002 (0 ppm), Formula C10Br3"
+357.76453	17526
+358.75382	30856
+359.76218	19585
+360.76947	22540
+361.76004	8228
+372.76981	19345
+390.67718	24827
+392.67456	34240	"Theoretical m/z 392.676088, Mass diff 0.001 (0 ppm), Formula C5HBr4O"
+394.67258	19961
+416.67267	116727
+418.67078	425164
+419.67401	21342
+420.6695	806666	"Theoretical m/z 420.671003, Mass diff 0.001 (0 ppm), Formula C6HBr4O2"
+421.67218	54466
+422.66666	457597
+423.66971	18313
+424.66452	87355
+433.67691	23723
+435.6741	118283
+436.68195	60570
+437.67206	198489
+438.67978	88196
+439.67007	113985
+440.6774	55242
+441.66779	16629
+
+NAME: syn-Dechlorane plus
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3373.9
+PRECURSORMZ: 574.75336
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H12Cl12
+INCHIKEY: UGQQAJOWXNCOPY-HYXMNYRASA-N
+INCHI: 
+SMILES: C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 161
+70.07684	121577
+73.0459	119652
+77.03762	317475	"Theoretical m/z 77.039125, Mass diff 0.001 (0 ppm), Formula C6H5"
+78.04545	158730
+79.05325	1215057
+80.06102	325096
+81.06889	430180
+82.94392	128942
+84.94098	107545
+91.05312	663738	"Theoretical m/z 91.054775, Mass diff 0.001 (0 ppm), Formula C7H7"
+93.06879	197406	"Theoretical m/z 93.070425, Mass diff 0.001 (0 ppm), Formula C7H9"
+95.08436	207957	"Theoretical m/z 95.086075, Mass diff 0.001 (0 ppm), Formula C7H11"
+96.99263	162573
+105.06861	338356
+106.9436	129099	"Theoretical m/z 106.94553, Mass diff 0.001 (0 ppm), Formula C3HCl2"
+107.08418	249451
+108.94069	129528
+113.03717	131809	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+115.05276	116284	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.9045	191020	"Theoretical m/z 116.906558, Mass diff 0.002 (0 ppm), Formula CCl3"
+118.90147	214975
+132.95902	121303	"Theoretical m/z 132.96118, Mass diff 0.002 (0 ppm), Formula C5H3Cl2"
+133.01183	215529
+136.0056	138251
+139.0524	149868	"Theoretical m/z 139.054775, Mass diff 0.002 (0 ppm), Formula C11H7"
+140.90413	185155	"Theoretical m/z 140.906558, Mass diff 0.002 (0 ppm), Formula C3Cl3"
+141.06799	108069	"Theoretical m/z 141.070425, Mass diff 0.002 (0 ppm), Formula C11H9"
+142.90117	253554
+146.99767	111897	"Theoretical m/z 147.000153, Mass diff 0.002 (0 ppm), Formula C9H4Cl"
+149.02138	385243
+152.06009	90662
+156.95863	103809	"Theoretical m/z 156.96118, Mass diff 0.002 (0 ppm), Formula C7H3Cl2"
+158.9556	164724	"Theoretical m/z 158.953508, Mass diff -0.003 (0 ppm), Formula C4H6Cl3"
+162.02094	152013
+164.9469	117900
+165.06764	202876	"Theoretical m/z 165.070425, Mass diff 0.002 (0 ppm), Formula C13H9"
+166.07104	97827
+169.96622	430515
+171.96326	282425
+179.96173	159082
+181.92421	159782
+182.97386	512701	"Theoretical m/z 182.976831, Mass diff 0.002 (0 ppm), Formula C9H5Cl2"
+183.98163	150679
+184.9709	301155	"Theoretical m/z 184.969158, Mass diff -0.002 (0 ppm), Formula C6H8Cl3"
+190.91907	196168	"Theoretical m/z 190.922208, Mass diff 0.003 (0 ppm), Formula C7H2Cl3"
+192.93475	373347	"Theoretical m/z 192.937858, Mass diff 0.003 (0 ppm), Formula C7H4Cl3"
+192.97778	443427
+194.93184	380763	"Theoretical m/z 194.930186, Mass diff -0.002 (0 ppm), Formula C4H7Cl4"
+194.99338	405506
+195.9814	238565
+197.97848	154390
+199.0282	232878	"Theoretical m/z 199.031453, Mass diff 0.003 (0 ppm), Formula C13H8Cl"
+200.036	93916
+200.87999	397555
+201.04388	128638	"Theoretical m/z 201.047103, Mass diff 0.003 (0 ppm), Formula C13H10Cl"
+201.88774	99709
+202.87717	542066
+203.92694	405096
+204.87413	267565
+204.93466	350736	"Theoretical m/z 204.937858, Mass diff 0.003 (0 ppm), Formula C8H4Cl3"
+205.9239	393712
+206.93173	349358
+207.02969	443681
+207.92081	146199
+208.02925	128263
+208.92889	189559
+213.88768	493086
+214.89575	107046
+215.88475	605512
+216.93446	410758	"Theoretical m/z 216.937858, Mass diff 0.003 (0 ppm), Formula C9H4Cl3"
+217.8818	321834
+217.94228	112559
+218.93164	458068
+219.93948	108482
+220.92859	240590
+226.8954	2812339
+227.89825	233863
+228.89246	3665325
+229.94218	378791
+230.88948	2021842
+230.95006	155584
+231.93918	256320
+232.88649	543787
+232.94717	168917
+234.8407	2151432
+235.00449	332271	"Theoretical m/z 235.008131, Mass diff 0.003 (0 ppm), Formula C13H9Cl2"
+235.84854	2125651
+236.01276	136399
+236.83769	3594746
+237.00156	195117	"Theoretical m/z 237.000458, Mass diff -0.002 (0 ppm), Formula C10H12Cl3"
+237.84567	3432387
+238.83472	2621838
+238.84842	258488
+239.84264	2418048
+239.90321	133564
+240.83176	1006440
+240.91104	516662
+241.83975	721093
+242.90797	574578	"Theoretical m/z 242.906864, Mass diff -0.002 (0 ppm), Formula C5H8Cl5"
+243.8365	125106
+243.91153	115580
+244.90506	305341
+247.84843	117566
+248.85622	185943
+249.84543	106213
+250.85336	350384
+252.8504	240115
+252.91081	1158163	"Theoretical m/z 252.914536, Mass diff 0.003 (0 ppm), Formula C9H5Cl4"
+253.01346	261197
+254.90781	1260972
+255.91135	92264
+256.90485	614979
+258.90182	91318
+260.85617	270618
+261.86408	326484
+262.85312	553234	"Theoretical m/z 262.852241, Mass diff -0.001 (0 ppm), Formula C4H5Cl6"
+263.86112	463060
+264.8501	473995
+264.86893	122586
+265.85849	307586
+266.8472	153524
+266.90778	294748
+266.92621	343180	"Theoretical m/z 266.930186, Mass diff 0.003 (0 ppm), Formula C10H7Cl4"
+268.92362	287022
+268.97501	237254
+269.80924	4513440
+270.81238	233865
+270.9202	135969
+270.98093	444474	"Theoretical m/z 270.984808, Mass diff 0.003 (0 ppm), Formula C13H10Cl3"
+271.02393	535681
+271.80621	9008834
+272.80939	448887
+272.97824	286940	"Theoretical m/z 272.977136, Mass diff -0.002 (0 ppm), Formula C10H13Cl4"
+273.80325	7091239
+274.80643	272970
+275.80017	2746936
+276.80368	93854
+276.86893	138976	"Theoretical m/z 276.867891, Mass diff -0.002 (0 ppm), Formula C5H7Cl6"
+277.79724	701726
+281.04755	1500184
+283.02686	507208
+294.95709	1397404	"Theoretical m/z 294.961486, Mass diff 0.004 (0 ppm), Formula C12H11Cl4"
+295.96063	160819
+296.9541	1761755
+297.95718	197300
+298.95117	791013
+299.95477	110616
+300.94797	177077
+306.93881	90737	"Theoretical m/z 306.937605, Mass diff 0.001 (3.93 ppm), SMILES C1(=C(C2(C(CC)C(C)C1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C10H11Cl5+H]+, Rule of HR True"
+306.95688	415186	"Theoretical m/z 306.961486, Mass diff 0.004 (0 ppm), Formula C13H11Cl4"
+308.95401	434092
+310.95081	242213
+342.93308	269588
+344.92993	476246
+346.92682	300170
+494.81128	123007	"Theoretical m/z 494.813575, Mass diff 0.002 (0 ppm), Formula C14H12Cl9"
+530.78851	91083	"Theoretical m/z 530.789686, Mass diff 0.001 (2.22 ppm), SMILES C2(=C(C3(C(CCC1CC(C(C1Cl)(Cl)Cl)Cl)CC2(C3(Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C14H12Cl10+H]+, Rule of HR True"
+532.78491	175109
+534.78272	118271
+566.76446	106623
+568.76202	131642
+
+NAME: anti-Dechlorane plus
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3412.9
+PRECURSORMZ: 651.70978
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H12Cl12
+INCHIKEY: UGQQAJOWXNCOPY-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 162
+77.03762	347844	"Theoretical m/z 77.039125, Mass diff 0.001 (0 ppm), Formula C6H5"
+79.05325	1325458
+80.06107	374488
+81.0689	279727
+82.94395	152131
+84.94102	134245
+85.10013	125367
+89.03748	100636	"Theoretical m/z 89.039125, Mass diff 0.001 (0 ppm), Formula C7H5"
+91.05312	648316	"Theoretical m/z 91.054775, Mass diff 0.001 (0 ppm), Formula C7H7"
+93.06876	244077	"Theoretical m/z 93.070425, Mass diff 0.001 (0 ppm), Formula C7H9"
+95.08437	126550	"Theoretical m/z 95.086075, Mass diff 0.001 (0 ppm), Formula C7H11"
+96.99262	95086
+99.0217	102534	"Theoretical m/z 99.023475, Mass diff 0.001 (0 ppm), Formula C8H3"
+105.0686	213650
+106.94366	91896	"Theoretical m/z 106.94553, Mass diff 0.001 (0 ppm), Formula C3HCl2"
+107.08419	328065
+108.94075	123656
+113.03715	193478	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+115.05278	158048	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.90443	233751	"Theoretical m/z 116.906558, Mass diff 0.002 (0 ppm), Formula CCl3"
+118.90161	235708
+126.04479	125185
+132.92117	103522
+133.01184	178375
+136.00566	143049
+139.05254	124821	"Theoretical m/z 139.054775, Mass diff 0.002 (0 ppm), Formula C11H7"
+140.90411	244075	"Theoretical m/z 140.906558, Mass diff 0.002 (0 ppm), Formula C3Cl3"
+141.06815	92106	"Theoretical m/z 141.070425, Mass diff 0.002 (0 ppm), Formula C11H9"
+142.90109	252899
+149.02142	325925
+149.04292	305770
+156.95854	145076	"Theoretical m/z 156.96118, Mass diff 0.002 (0 ppm), Formula C7H3Cl2"
+158.95577	159958	"Theoretical m/z 158.953508, Mass diff -0.003 (0 ppm), Formula C4H6Cl3"
+162.02097	167731
+164.94682	119738
+165.06766	246995	"Theoretical m/z 165.070425, Mass diff 0.002 (0 ppm), Formula C13H9"
+166.90091	188480	"Theoretical m/z 166.898886, Mass diff -0.003 (0 ppm), Formula C2H3Cl4"
+168.91664	106791
+169.96626	479280
+170.9742	142400	"Theoretical m/z 170.976831, Mass diff 0.002 (0 ppm), Formula C8H5Cl2"
+171.96326	326462
+172.97116	135323	"Theoretical m/z 172.969158, Mass diff -0.003 (0 ppm), Formula C5H8Cl3"
+175.14578	98639
+179.927	107977
+181.92421	156542
+182.97391	506534	"Theoretical m/z 182.976831, Mass diff 0.002 (0 ppm), Formula C9H5Cl2"
+183.9773	154013
+184.97089	352798	"Theoretical m/z 184.969158, Mass diff -0.002 (0 ppm), Formula C6H8Cl3"
+190.91922	207322	"Theoretical m/z 190.922208, Mass diff 0.002 (0 ppm), Formula C7H2Cl3"
+190.99854	205997
+192.93492	433121	"Theoretical m/z 192.937858, Mass diff 0.002 (0 ppm), Formula C7H4Cl3"
+192.97777	511636
+194.93176	296353	"Theoretical m/z 194.930186, Mass diff -0.002 (0 ppm), Formula C4H7Cl4"
+194.99341	263939
+195.98161	258602
+197.97862	146582
+199.02829	178834	"Theoretical m/z 199.031453, Mass diff 0.003 (0 ppm), Formula C13H8Cl"
+200.03633	107025
+200.88008	404969
+201.04401	130815	"Theoretical m/z 201.047103, Mass diff 0.003 (0 ppm), Formula C13H10Cl"
+202.87701	526023
+203.9268	434921
+204.87412	257917
+204.93469	346863	"Theoretical m/z 204.937858, Mass diff 0.003 (0 ppm), Formula C8H4Cl3"
+205.9238	376900
+206.9317	374107
+207.02968	621695
+207.92084	142270
+208.02925	122562
+208.92882	206765
+209.00891	159998
+213.88777	487101
+215.88478	608882
+216.93451	457963	"Theoretical m/z 216.937858, Mass diff 0.003 (0 ppm), Formula C9H4Cl3"
+217.88193	291168
+218.93156	499607
+219.93947	117085
+220.9472	214597
+226.89539	1731947
+227.90356	187245
+228.89246	2259328
+229.89497	335505
+230.88946	1236422
+230.94992	144540	"Theoretical m/z 230.953508, Mass diff 0.003 (0 ppm), Formula C10H6Cl3"
+231.93938	230110
+232.88649	221469
+232.94705	186628
+234.84068	2267362
+235.00474	322433	"Theoretical m/z 235.008131, Mass diff 0.003 (0 ppm), Formula C13H9Cl2"
+235.84862	1894566
+236.01257	149491
+236.83772	3687928
+237.00146	195862	"Theoretical m/z 237.000458, Mass diff -0.002 (0 ppm), Formula C10H12Cl3"
+237.84567	3221049
+238.0096	97380
+238.83473	2670109
+238.84862	313013
+238.89529	112884	"Theoretical m/z 238.898886, Mass diff 0.003 (0 ppm), Formula C8H3Cl4"
+239.84265	2181064
+239.90288	124465
+240.83176	1030940
+240.91096	475960
+241.8396	655259
+241.90006	166718
+242.82887	125705
+242.90805	459309	"Theoretical m/z 242.906864, Mass diff -0.002 (0 ppm), Formula C5H8Cl5"
+243.83705	104614
+244.90546	204262
+247.84843	97526
+248.85602	196358
+249.84528	196808
+250.85339	351505
+251.84242	120477
+252.85019	272259
+252.91083	843802	"Theoretical m/z 252.914536, Mass diff 0.003 (0 ppm), Formula C9H5Cl4"
+253.01347	266356
+254.90776	848786
+256.90491	376110
+260.85608	240124
+261.86404	272058
+262.85318	370521	"Theoretical m/z 262.852241, Mass diff -0.001 (0 ppm), Formula C4H5Cl6"
+263.86112	499178
+264.85037	360630
+264.91104	118661	"Theoretical m/z 264.914536, Mass diff 0.003 (0 ppm), Formula C10H5Cl4"
+265.85803	314372
+266.90778	249484
+267.85495	95547
+268.92319	214220	"Theoretical m/z 268.92198, Mass diff 0.001 (4.5 ppm), SMILES CC1CC(C(C1(CCl)Cl)(Cl)Cl)Cl, Annotation [C7H9Cl5+H]+, Rule of HR True"
+268.97507	197394
+269.80924	4692542
+270.81259	254156
+270.96256	105335	"Theoretical m/z 270.961486, Mass diff -0.002 (0 ppm), Formula C10H11Cl4"
+270.9808	446690	"Theoretical m/z 270.984808, Mass diff 0.003 (0 ppm), Formula C13H10Cl3"
+271.0239	291444
+271.80618	9031055
+272.80939	444491
+272.97806	333790	"Theoretical m/z 272.977136, Mass diff -0.001 (0 ppm), Formula C10H13Cl4"
+273.80325	7211486
+274.80667	380458
+274.8718	105023
+274.97507	101364
+275.8002	3072286
+276.8038	150698
+276.86902	181516	"Theoretical m/z 276.867891, Mass diff -0.002 (0 ppm), Formula C5H7Cl6"
+277.79724	735910
+278.86505	106774
+279.79468	92880
+281.04755	279748
+292.94052	108740	"Theoretical m/z 292.945836, Mass diff 0.005 (0 ppm), Formula C12H9Cl4"
+294.95715	804252	"Theoretical m/z 294.961486, Mass diff 0.004 (0 ppm), Formula C12H11Cl4"
+296.9541	902866
+297.95718	100795
+298.95105	442892
+306.95685	488746	"Theoretical m/z 306.961486, Mass diff 0.004 (0 ppm), Formula C13H11Cl4"
+308.95386	541435
+310.95138	244700
+328.91809	102305
+330.91412	145295	"Theoretical m/z 330.914841, Mass diff 0 (0 ppm), Formula C9H13Cl6"
+342.9332	424572
+344.92999	603319
+346.92694	323697
+532.78455	135726
+
+NAME: alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1992.5
+PRECURSORMZ: 348.84259
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H12Br4
+INCHIKEY: PQRRSJBLKOPVJV-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1CC(C(CC1C(CBr)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 42
+71.08522	43169	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+77.03825	326332	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.0461	131477	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.0539	1265664	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.05727	138725
+80.91543	42965
+81.06956	205704	"Theoretical m/z 81.069878, Mass diff 0 (-3.92 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+81.92323	30616
+84.09303	33375	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.10081	75057	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+92.93308	29706	"Theoretical m/z 92.933437, Mass diff 0 (3.84 ppm), SMILES CBr, Annotation [CH3Br-H]+, Rule of HR True"
+94.93102	30169
+95.04874	30190
+95.08513	40749	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+103.05379	108740	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.93298	27951	"Theoretical m/z 104.933435, Mass diff 0 (4.33 ppm), SMILES CCBr, Annotation [C2H5Br-3H]+, Rule of HR True"
+105.06944	2695383	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.0728	398661
+106.94859	77967	"Theoretical m/z 106.949085, Mass diff 0 (4.63 ppm), SMILES CCBr, Annotation [C2H5Br-H]+, Rule of HR True"
+107.08505	566915	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+108.08842	54320
+108.94659	51947
+118.94859	90792	"Theoretical m/z 118.949083, Mass diff 0 (4.14 ppm), SMILES CCCBr, Annotation [C3H7Br-3H]+, Rule of HR True"
+120.94646	75813
+132.96419	42386	"Theoretical m/z 132.964731, Mass diff 0.001 (4.07 ppm), SMILES CCC(C)Br, Annotation [C4H9Br-3H]+, Rule of HR True"
+134.96214	30171
+144.9641	39749	"Theoretical m/z 144.964736, Mass diff 0.001 (4.39 ppm), SMILES CC(C)C(C)Br, Annotation [C5H11Br-5H]+, Rule of HR True"
+146.9621	38228
+156.96394	37609	"Theoretical m/z 156.965287, Mass diff 0.001 (0 ppm), Formula C6H6Br"
+158.96191	48936
+184.99512	1252858	"Theoretical m/z 184.996587, Mass diff 0.001 (0 ppm), Formula C8H10Br"
+185.99846	116161
+186.99306	1321577
+187.99646	113133
+189.00867	98235
+207.03143	29632
+264.92108	773799	"Theoretical m/z 264.922204, Mass diff 0.001 (4.24 ppm), SMILES CCC1CCC(C(C1)Br)Br, Annotation [C8H14Br2-3H]+, Rule of HR True"
+265.92395	62301
+266.91901	1507139
+267.922	124017
+268.91693	745628
+269.92014	63252
+
+NAME: beta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2006.1
+PRECURSORMZ: 342.99554
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H12Br4
+INCHIKEY: PQRRSJBLKOPVJV-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1CC(C(CC1C(CBr)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 43
+70.0774	91262	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.0852	64765	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+77.03824	309442	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04609	121541	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05389	1208354	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+79.92528	29496
+80.05721	121224
+80.91542	28784
+81.06955	202344	"Theoretical m/z 81.069878, Mass diff 0 (-4.04 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+81.92324	37704
+84.09302	73523	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.10081	144133	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+94.93102	28288
+95.04875	25405
+95.08511	33222	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+99.11639	29074
+103.05377	92315	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.0616	33932	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+104.93298	28349	"Theoretical m/z 104.933435, Mass diff 0 (4.33 ppm), SMILES CCBr, Annotation [C2H5Br-3H]+, Rule of HR True"
+105.06943	2526422	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07278	369887
+106.9486	72553	"Theoretical m/z 106.949085, Mass diff 0 (4.53 ppm), SMILES CCBr, Annotation [C2H5Br-H]+, Rule of HR True"
+107.08505	525094	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+108.08836	45448
+108.94653	44281
+118.94856	87723	"Theoretical m/z 118.949083, Mass diff 0.001 (4.39 ppm), SMILES CCCBr, Annotation [C3H7Br-3H]+, Rule of HR True"
+120.94649	75654
+132.96416	44573	"Theoretical m/z 132.964731, Mass diff 0.001 (4.29 ppm), SMILES CCC(C)Br, Annotation [C4H9Br-3H]+, Rule of HR True"
+144.96396	42044
+146.96194	40152
+156.96402	38725	"Theoretical m/z 156.965287, Mass diff 0.001 (0 ppm), Formula C6H6Br"
+158.96194	51719
+184.99512	1152243	"Theoretical m/z 184.996587, Mass diff 0.001 (0 ppm), Formula C8H10Br"
+185.99846	109749
+186.99306	1226854
+187.99638	109683
+189.00874	93079
+264.92108	751806	"Theoretical m/z 264.922204, Mass diff 0.001 (4.24 ppm), SMILES CCC1CCC(C(C1)Br)Br, Annotation [C8H14Br2-3H]+, Rule of HR True"
+265.92377	59898
+266.91898	1452633
+267.92191	121757
+268.91693	717188
+269.91977	62485
+
+NAME: 1,2,5,6-Tetrabromocyclooctane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2074.8
+PRECURSORMZ: 415.03531
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H12Br4
+INCHIKEY: RZLXIANUDLLFHN-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1CC(C(CCC(C1Br)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 42
+70.07742	53827	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+77.03824	539150	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.0461	229130	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05389	2775783	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.05724	246002
+80.91541	49969
+81.92322	45662
+84.09302	47339	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.1008	129307	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+92.93307	51698	"Theoretical m/z 92.933437, Mass diff 0 (3.95 ppm), SMILES CBr, Annotation [CH3Br-H]+, Rule of HR True"
+94.93097	49008
+95.04876	66095
+95.08513	81434	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+103.0538	208651	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06158	49923	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06944	4438127	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07724	784042	"Theoretical m/z 106.07825, Mass diff 0 (0 ppm), Formula C8H10"
+106.9486	82869	"Theoretical m/z 106.949085, Mass diff 0 (4.53 ppm), SMILES CCBr, Annotation [C2H5Br-H]+, Rule of HR True"
+107.08505	562594	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+108.08843	50714
+108.94661	52005
+118.94855	272922	"Theoretical m/z 118.949083, Mass diff 0.001 (4.48 ppm), SMILES CCCBr, Annotation [C3H7Br-3H]+, Rule of HR True"
+120.94649	240374
+132.96416	111210	"Theoretical m/z 132.964731, Mass diff 0.001 (4.29 ppm), SMILES CCC(C)Br, Annotation [C4H9Br-3H]+, Rule of HR True"
+134.96211	63073
+144.96405	94596	"Theoretical m/z 144.964736, Mass diff 0.001 (4.73 ppm), SMILES CCC(CC)Br, Annotation [C5H11Br-5H]+, Rule of HR True"
+146.96196	78765
+156.964	221765	"Theoretical m/z 156.965287, Mass diff 0.001 (0 ppm), Formula C6H6Br"
+158.96191	271160
+160.97751	49477
+184.99512	1356464	"Theoretical m/z 184.996587, Mass diff 0.001 (0 ppm), Formula C8H10Br"
+185.9985	131111
+186.99303	1372720
+187.99631	129100
+264.92105	500790	"Theoretical m/z 264.922204, Mass diff 0.001 (4.36 ppm), SMILES C1CCCC(C(CC1)Br)Br, Annotation [C8H14Br2-3H]+, Rule of HR True"
+266.91901	984060
+267.92178	80651
+268.9169	486067
+344.84644	52034
+346.84457	158230
+348.84253	163181
+350.84058	54785
+
+NAME: 1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2836.8
+PRECURSORMZ: 539.73718
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H12Br2Cl6
+INCHIKEY: OZQOUGTVRWVFRK-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1CC(C(C(C(C(C1)(Br)Br)(C2C=CC=C2)Cl)(Cl)Cl)(Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 267
+70.0775	36843	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.08532	32652	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+72.98374	33115	"Theoretical m/z 72.983954, Mass diff 0 (2.94 ppm), SMILES CCCCl, Annotation [C3H7Cl-5H]+, Rule of HR True"
+75.02275	69263	"Theoretical m/z 75.022925, Mass diff 0 (2.34 ppm), SMILES C=1C=CC(C=1)C, Annotation [C6H8-5H]+, Rule of HR True"
+77.03835	427388	"Theoretical m/z 77.038575, Mass diff 0 (2.93 ppm), SMILES C=1C=CC(C=1)C, Annotation [C6H8-3H]+, Rule of HR True"
+78.0462	111060	"Theoretical m/z 78.046401, Mass diff 0 (2.57 ppm), SMILES C=1C=CC(C=1)C, Annotation [C6H8-2H]+, Rule of HR False"
+78.91756	48710	"Theoretical m/z 78.918337, Mass diff 0 (0 ppm), Formula Br"
+79.92537	51239
+80.04916	227324
+80.91553	45362
+81.92333	66890
+82.53448	29250
+82.9447	76448	"Theoretical m/z 82.94498, Mass diff 0 (3.38 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+84.94186	101152
+84.9837	47723	"Theoretical m/z 84.983954, Mass diff 0 (2.99 ppm), SMILES C=CCCCl, Annotation [C4H7Cl-5H]+, Rule of HR True"
+85.10091	82335	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.01479	29796	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02267	51688	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03828	58855	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05396	2553510	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06178	872105	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06964	329061	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04106	30918
+94.96801	45447	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.04888	72053
+95.08527	109874	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+95.93898	26730
+96.03353	53578
+96.09306	26749	"Theoretical m/z 96.0939, Mass diff 0 (0 ppm), Formula C7H12"
+96.98368	86875	"Theoretical m/z 96.983952, Mass diff 0 (2.81 ppm), SMILES C(=CCCCl)C, Annotation [C5H9Cl-7H]+, Rule of HR True"
+98.0148	53950
+99.02273	94866	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+99.51489	27352
+101.01502	108633	"Theoretical m/z 101.015252, Mass diff 0 (2.3 ppm), SMILES C(=CCCCl)C, Annotation [C5H9Cl-3H]+, Rule of HR True"
+103.05392	74230	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06959	759395	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07291	97504
+106.94456	79122	"Theoretical m/z 106.944984, Mass diff 0 (3.96 ppm), SMILES CC(CCl)Cl, Annotation [C3H6Cl2-5H]+, Rule of HR True"
+107.08519	2636314	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+107.97576	34932
+108.08855	246961
+108.98357	125758	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+113.01496	144970	"Theoretical m/z 113.015255, Mass diff 0 (2.61 ppm), SMILES C=1C=CC(C=1)CCl, Annotation [C6H7Cl-H]+, Rule of HR True"
+114.02268	43741
+115.0305	80998	"Theoretical m/z 115.030905, Mass diff 0 (3.52 ppm), SMILES C=1C=CC(C=1)CCl, Annotation [C6H7Cl+H]+, Rule of HR True"
+115.05387	126227	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.90561	111953	"Theoretical m/z 116.906558, Mass diff 0 (0 ppm), Formula CCl3"
+118.90268	202089
+118.94866	62720	"Theoretical m/z 118.949083, Mass diff 0 (3.55 ppm), SMILES CCCBr, Annotation [C3H7Br-3H]+, Rule of HR True"
+120.94662	153307
+122.99916	52323	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+125.01475	70793	"Theoretical m/z 125.015803, Mass diff 0.001 (0 ppm), Formula C7H6Cl"
+126.04592	69934
+127.03049	92006	"Theoretical m/z 127.031453, Mass diff 0 (0 ppm), Formula C7H8Cl"
+129.06941	32484	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+129.93674	40430
+131.93378	33845
+132.9836	115633	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.01308	137577
+134.95721	61960
+136.00702	60089
+137.00795	28849
+138.04616	43594
+139.05373	110050	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+140.90547	123920	"Theoretical m/z 140.906005, Mass diff 0.001 (3.8 ppm), SMILES CC(C(Cl)Cl)Cl, Annotation [C3H5Cl3-5H]+, Rule of HR True"
+141.04607	212237	"Theoretical m/z 141.047103, Mass diff 0 (0 ppm), Formula C8H10Cl"
+142.90256	121215
+143.04318	69644
+144.89961	93103
+144.96429	53550	"Theoretical m/z 144.965287, Mass diff 0 (0 ppm), Formula C5H6Br"
+146.96222	54476
+146.99898	97686	"Theoretical m/z 147.000153, Mass diff 0.001 (0 ppm), Formula C9H4Cl"
+148.0069	62154
+149.02277	143024
+151.02356	42398
+152.06151	44444
+152.93275	29199	"Theoretical m/z 152.933987, Mass diff 0.001 (0 ppm), Formula C6H2Br"
+153.0692	31036	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+156.96002	100112	"Theoretical m/z 156.960631, Mass diff 0.001 (3.9 ppm), SMILES C=1C=CC(C=1)CC(Cl)Cl, Annotation [C7H8Cl2-5H]+, Rule of HR True"
+158.95705	129654
+160.00697	46709
+160.97267	67779
+162.02249	85117
+163.05374	60770	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.01944	40988
+164.9054	67038	"Theoretical m/z 164.90601, Mass diff 0.001 (3.7 ppm), SMILES C=CCC(C(Cl)Cl)Cl, Annotation [C5H7Cl3-7H]+, Rule of HR True"
+165.06926	183442	"Theoretical m/z 165.070425, Mass diff 0.001 (0 ppm), Formula C13H9"
+166.0771	56923	"Theoretical m/z 166.07825, Mass diff 0.001 (0 ppm), Formula C13H10"
+166.90212	93787	"Theoretical m/z 166.898886, Mass diff -0.004 (0 ppm), Formula C2H3Cl4"
+168.89944	76927
+168.95985	59125	"Theoretical m/z 168.96118, Mass diff 0.001 (0 ppm), Formula C8H3Cl2"
+169.96779	241162
+170.97563	74174	"Theoretical m/z 170.976831, Mass diff 0.001 (0 ppm), Formula C8H5Cl2"
+171.96489	146480
+173.01459	126768	"Theoretical m/z 173.015803, Mass diff 0.001 (0 ppm), Formula C11H6Cl"
+175.03029	56987	"Theoretical m/z 175.031453, Mass diff 0.001 (0 ppm), Formula C11H8Cl"
+179.92876	47087
+180.96027	34798	"Theoretical m/z 180.96118, Mass diff 0 (0 ppm), Formula C9H3Cl2"
+181.92563	67001
+182.97557	236746	"Theoretical m/z 182.976831, Mass diff 0.001 (0 ppm), Formula C9H5Cl2"
+183.96506	28644
+183.9789	91760
+184.97261	273702	"Theoretical m/z 184.972715, Mass diff 0 (0.57 ppm), SMILES C(CCCl)CCBr, Annotation [C5H10BrCl+H]+, Rule of HR True"
+186.02245	49662
+187.01099	462033	"Theoretical m/z 187.012237, Mass diff 0.001 (0 ppm), Formula C8H12Br"
+188.01437	43471
+189.00894	348830
+190.921	139742	"Theoretical m/z 190.922208, Mass diff 0.001 (0 ppm), Formula C7H2Cl3"
+191.00032	27786
+191.92879	41434
+192.91803	245041	"Theoretical m/z 192.914536, Mass diff -0.004 (0 ppm), Formula C4H5Cl4"
+192.97958	264705
+193.9259	69167
+194.93375	169704	"Theoretical m/z 194.930186, Mass diff -0.004 (0 ppm), Formula C4H7Cl4"
+195.98338	169587
+196.97478	68272	"Theoretical m/z 196.973265, Mass diff -0.002 (0 ppm), Formula C6H11BrCl"
+197.98032	83034
+199.03012	171740	"Theoretical m/z 199.031453, Mass diff 0.001 (0 ppm), Formula C13H8Cl"
+200.03801	121944
+200.8819	80921	"Theoretical m/z 200.883236, Mass diff 0.001 (0 ppm), Formula C5HCl4"
+201.04575	132445	"Theoretical m/z 201.047103, Mass diff 0.001 (0 ppm), Formula C13H10Cl"
+202.07696	38945
+202.87907	103912
+203.92883	159649
+204.87607	48715
+204.93671	203731	"Theoretical m/z 204.937858, Mass diff 0.001 (0 ppm), Formula C8H4Cl3"
+205.92575	198363
+206.9337	207046
+207.03166	117318
+207.92288	77467
+208.03075	43057
+208.93082	102328
+208.99115	180128	"Theoretical m/z 208.992481, Mass diff 0.001 (0 ppm), Formula C11H7Cl2"
+209.01091	191665
+213.88969	157851
+214.89766	39351	"Theoretical m/z 214.898886, Mass diff 0.001 (0 ppm), Formula C6H3Cl4"
+215.8868	220051
+216.93651	231415	"Theoretical m/z 216.937858, Mass diff 0.001 (0 ppm), Formula C9H4Cl3"
+217.88388	109576
+217.94455	70213
+218.93362	218595
+219.94173	71412
+220.9723	192485	"Theoretical m/z 220.972715, Mass diff 0 (1.88 ppm), SMILES C=1C=CC(C=1)C(C(C)Br)Cl, Annotation [C8H10BrCl+H]+, Rule of HR True"
+222.96967	128059
+224.967	29715
+225.88982	36252
+226.89752	473594	"Theoretical m/z 226.898886, Mass diff 0.001 (0 ppm), Formula C7H3Cl4"
+227.88655	89461
+228.89462	605177
+229.90244	93816
+229.94438	248027
+230.89171	424693
+230.95261	120072
+231.94136	180318
+232.84125	72774	"Theoretical m/z 232.836827, Mass diff -0.005 (0 ppm), Formula C3H4Br2Cl"
+232.94958	146792	"Theoretical m/z 232.949943, Mass diff 0 (0 ppm), Formula C6H12BrCl2"
+233.93855	50474
+233.99902	43540
+234.84305	759836	"Theoretical m/z 234.843709, Mass diff 0.001 (2.81 ppm), SMILES CCC(C(C(Cl)Cl)(Cl)Cl)Cl, Annotation [C5H7Cl5-7H]+, Rule of HR True"
+234.98848	59326	"Theoretical m/z 234.988371, Mass diff 0 (0.46 ppm), SMILES C=1C=CC(C=1)C(C(CC)Br)Cl, Annotation [C9H12BrCl+H]+, Rule of HR True"
+235.00684	343889	"Theoretical m/z 235.008131, Mass diff 0.001 (0 ppm), Formula C13H9Cl2"
+235.85083	64156
+236.01477	226605
+236.83997	1263456
+237.00406	233045	"Theoretical m/z 237.000458, Mass diff -0.004 (0 ppm), Formula C10H12Cl3"
+237.84889	147159
+238.0123	130430
+238.83699	851043
+238.89758	71132	"Theoretical m/z 238.898345, Mass diff 0.001 (3.2 ppm), SMILES C=1C=CC(C=1)CC(C(Cl)Cl)(Cl)Cl, Annotation [C8H8Cl4-5H]+, Rule of HR True"
+239.00136	34895
+239.84601	106924
+239.90523	167667
+240.83402	285984
+240.89476	141966
+241.90247	93505
+242.83102	44204
+242.91054	123838
+242.95207	203447	"Theoretical m/z 242.953508, Mass diff 0.001 (0 ppm), Formula C11H6Cl3"
+243.89954	48646
+244.94934	127488
+246.94634	45550
+247.85057	39658
+248.85875	81182	"Theoretical m/z 248.859359, Mass diff 0.001 (2.45 ppm), SMILES C=CCC(C(C(Cl)Cl)(Cl)Cl)Cl, Annotation [C6H7Cl5-5H]+, Rule of HR True"
+249.84793	69206
+250.85568	184120
+251.84511	57940
+252.8526	137084
+252.91312	405592	"Theoretical m/z 252.914536, Mass diff 0.001 (0 ppm), Formula C9H5Cl4"
+253.91583	29826
+254.8497	53400
+254.91011	399724
+255.91362	30034
+256.9072	208979
+256.96765	31295	"Theoretical m/z 256.969158, Mass diff 0.001 (0 ppm), Formula C12H8Cl3"
+257.9758	53110
+258.90408	34470
+258.98422	85188	"Theoretical m/z 258.984808, Mass diff 0 (0 ppm), Formula C12H10Cl3"
+259.97247	52647
+260.85895	135394
+260.98096	68595	"Theoretical m/z 260.977136, Mass diff -0.004 (0 ppm), Formula C9H13Cl4"
+261.86645	451384
+262.85608	254253
+263.8635	747517
+264.85291	342079
+264.91351	202925	"Theoretical m/z 264.914536, Mass diff 0 (0 ppm), Formula C10H5Cl4"
+265.86054	910978
+265.92917	438229
+266.84967	71498
+266.91016	225231	"Theoretical m/z 266.910414, Mass diff 0 (0.95 ppm), SMILES C(CCBr)CC(C(Cl)Cl)Cl, Annotation [C6H10BrCl3+H]+, Rule of HR True"
+267.8577	160113
+267.92709	933010
+268.90714	177334
+268.96771	86893	"Theoretical m/z 268.969158, Mass diff 0.001 (0 ppm), Formula C13H8Cl3"
+269.81177	625802
+269.92511	391285
+269.97617	38035
+270.81497	29073
+270.96533	99944	"Theoretical m/z 270.961486, Mass diff -0.004 (0 ppm), Formula C10H11Cl4"
+270.98346	449197	"Theoretical m/z 270.984808, Mass diff 0.001 (0 ppm), Formula C13H10Cl3"
+271.80878	1118664
+271.97348	87661
+272.81232	56208
+272.98047	373007	"Theoretical m/z 272.977136, Mass diff -0.004 (0 ppm), Formula C10H13Cl4"
+273.80585	887189
+273.9826	49436
+274.8096	49989
+274.87405	46877	"Theoretical m/z 274.875024, Mass diff 0.001 (3.54 ppm), SMILES C=1C=CC(C=1)C(C(C(Cl)Cl)(Cl)Cl)Cl, Annotation [C8H7Cl5-3H]+, Rule of HR True"
+274.97748	128652
+275.80273	377753
+276.87128	84221
+277.79987	91125
+278.86856	116857
+278.92844	68666	"Theoretical m/z 278.930186, Mass diff 0.001 (0 ppm), Formula C11H7Cl4"
+280.92572	51878	"Theoretical m/z 280.926621, Mass diff 0 (0 ppm), Formula C7H13BrCl3"
+281.05017	65452
+292.94409	44934
+294.94134	54741	"Theoretical m/z 294.938164, Mass diff -0.004 (0 ppm), Formula C9H12Cl5"
+295.82727	38147
+296.93814	31324
+297.82434	58844
+299.82126	57299
+300.88934	26982	"Theoretical m/z 300.890655, Mass diff 0.001 (4.37 ppm), SMILES C=1C=CC(C=1)CC(C(C(C)Cl)(Cl)Cl)(Cl)Cl, Annotation [C10H11Cl5-5H]+, Rule of HR True"
+301.88757	43076
+302.88663	49456
+304.8833	48454
+304.94403	55873	"Theoretical m/z 304.945836, Mass diff 0.001 (0 ppm), Formula C13H9Cl4"
+306.95981	331356	"Theoretical m/z 306.961486, Mass diff 0.001 (0 ppm), Formula C13H11Cl4"
+307.96332	56235
+308.95691	387707
+309.96011	62206
+310.95407	151666
+312.95074	37113
+342.93622	326375	"Theoretical m/z 342.938164, Mass diff 0.001 (0 ppm), Formula C13H12Cl5"
+343.93945	46096
+344.93323	482038
+345.93668	80913
+346.93033	287367
+347.93393	46160
+348.92718	89788
+372.87015	84572
+374.86771	177168	"Theoretical m/z 374.864326, Mass diff -0.004 (0 ppm), Formula C9H13BrCl5"
+376.86475	152337
+378.86203	72123
+386.86743	27451	"Theoretical m/z 386.867872, Mass diff 0 (1.14 ppm), SMILES CCCC(C(C(C)C)(C(Cl)Cl)Cl)(Br)Br, Annotation [C9H15Br2Cl3+H]+, Rule of HR True"
+537.7392	37666
+539.73718	57277
+541.73444	57903
+
+
+NAME: alpha-Amylcinnamaldehyde
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1651.2
+PRECURSORMZ: 201.12714
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H18O
+INCHIKEY: HMKKIXGYKWDQSV-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCCC(=CC1=CC=CC=C1)C=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 50
+76.03072	52184	"Theoretical m/z 76.030753, Mass diff 0 (0.43 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03854	237435	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04639	269347	"Theoretical m/z 78.046403, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.04162	322889
+81.06986	96164	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.04129	470694
+83.04909	224688	"Theoretical m/z 83.049144, Mass diff 0 (0.65 ppm), SMILES *C=C(C=O)CC*, Annotation [C5H8O-H]+, Rule of HR True"
+89.03854	273491	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.0542	2439598	"Theoretical m/z 91.054226, Mass diff 0 (0.28 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.05755	267480
+95.04912	185169	"Theoretical m/z 95.049141, Mass diff 0 (-0.22 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+96.04432	71905
+102.04636	147019	"Theoretical m/z 102.046401, Mass diff 0 (0.4 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8-2H]+, Rule of HR False"
+103.05418	251355	"Theoretical m/z 103.054226, Mass diff 0 (0.44 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8-H]+, Rule of HR True"
+104.06201	245973	"Theoretical m/z 104.062051, Mass diff 0 (0.39 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8]+, Rule of HR False"
+105.06987	275659	"Theoretical m/z 105.069876, Mass diff 0 (0.05 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8+H]+, Rule of HR True"
+107.04907	71291	"Theoretical m/z 107.049141, Mass diff 0 (-0.66 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05417	3729289	"Theoretical m/z 115.054223, Mass diff 0 (0.46 ppm), SMILES *C(=CC=1C=CC=CC1)C*, Annotation [C9H10-3H]+, Rule of HR True"
+116.06198	1003159	"Theoretical m/z 116.062048, Mass diff 0 (0.59 ppm), SMILES *C(=CC=1C=CC=CC1)C*, Annotation [C9H10-2H]+, Rule of HR False"
+117.06976	2458166	"Theoretical m/z 117.069873, Mass diff 0 (0.97 ppm), SMILES *C(=CC=1C=CC=CC1)C*, Annotation [C9H10-H]+, Rule of HR True"
+118.07312	318384
+127.05413	87884	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06198	789912	"Theoretical m/z 128.062054, Mass diff 0 (0.58 ppm), SMILES *C(=CC=1C=CC=CC1)CC*, Annotation [C10H12-4H]+, Rule of HR False"
+129.06976	4206596	"Theoretical m/z 129.069879, Mass diff 0 (0.92 ppm), SMILES *C(=CC=1C=CC=CC1)CC*, Annotation [C10H12-3H]+, Rule of HR True"
+130.0732	621025
+131.08545	1426475	"Theoretical m/z 131.085529, Mass diff 0 (0.6 ppm), SMILES *C(=CC=1C=CC=CC1)CC*, Annotation [C10H12-H]+, Rule of HR True"
+132.05685	201818	"Theoretical m/z 132.056962, Mass diff 0 (0.85 ppm), SMILES *C(C=O)=CC=1C=CC=CC1, Annotation [C9H8O]+, Rule of HR False"
+133.06471	54567	"Theoretical m/z 133.064787, Mass diff 0 (0.58 ppm), SMILES *C(C=O)=CC=1C=CC=CC1, Annotation [C9H8O+H]+, Rule of HR True"
+141.06976	717743	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07761	200722
+143.08546	165537	"Theoretical m/z 143.085519, Mass diff 0 (0.41 ppm), SMILES *C(=CC=1C=CC=CC1)CCC*, Annotation [C11H14-3H]+, Rule of HR True"
+144.05685	95691
+145.06467	1596715	"Theoretical m/z 145.064792, Mass diff 0 (0.84 ppm), SMILES *CC(C=O)=CC=1C=CC=CC1, Annotation [C10H10O-H]+, Rule of HR True"
+146.06801	238197
+153.0697	79985	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07748	44508
+155.0602	356166
+156.06799	109036
+157.06455	48628	"Theoretical m/z 157.06534, Mass diff 0 (0 ppm), Formula C11H9O"
+158.07242	259738
+159.08023	275143	"Theoretical m/z 159.080448, Mass diff 0 (1.37 ppm), SMILES *CCC(C=O)=CC=1C=CC=CC1, Annotation [C11H12O-H]+, Rule of HR True"
+160.0836	54418
+169.101	78736	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+173.09592	223188	"Theoretical m/z 173.096088, Mass diff 0 (0.97 ppm), SMILES *CCCC(C=O)=CC=1C=CC=CC1, Annotation [C12H14O-H]+, Rule of HR True"
+174.10361	204174
+185.13223	116232	"Theoretical m/z 185.133026, Mass diff 0 (0 ppm), Formula C14H17"
+187.11157	46724	"Theoretical m/z 187.111744, Mass diff 0 (0.93 ppm), SMILES *CCCCC(C=O)=CC=1C=CC=CC1, Annotation [C13H16O-H]+, Rule of HR True"
+215.14287	953431
+216.15074	356903
+217.15408	48402
+
+NAME: trans-Cinnamaldehyde
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1278.1
+PRECURSORMZ: 132.05693
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H8O
+INCHIKEY: KJPRLNWUNMBNBZ-QPJJXVBHSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)/C=C/C=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 15
+74.0151	319192	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02296	219907	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03078	283761	"Theoretical m/z 76.030753, Mass diff 0 (0.36 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03859	2096450	"Theoretical m/z 77.038578, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04644	2417510	"Theoretical m/z 78.046403, Mass diff 0 (0.48 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.04165	213600
+91.05426	155223	"Theoretical m/z 91.054226, Mass diff 0 (0.38 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+95.04917	421914	"Theoretical m/z 95.049141, Mass diff 0 (0.31 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+102.04643	856871	"Theoretical m/z 102.046401, Mass diff 0 (0.29 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8-2H]+, Rule of HR False"
+103.05422	4374351	"Theoretical m/z 103.054226, Mass diff 0 (0.05 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8-H]+, Rule of HR True"
+104.06204	1183120	"Theoretical m/z 104.062051, Mass diff 0 (0.1 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8]+, Rule of HR False"
+105.04474	177273
+131.04913	13156546	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+132.05693	2373192	"Theoretical m/z 132.056962, Mass diff 0 (0.24 ppm), SMILES O=CC=CC=1C=CC=CC1, Annotation [C9H8O]+, Rule of HR False"
+133.06024	161844
+
+NAME: Citral (Geranial)
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1268
+PRECURSORMZ: 152.11948
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H16O
+INCHIKEY: WTEVQBCEXWBHNA-JXMROGBWSA-N
+INCHI: 
+SMILES: CC(=CCCC(=CC=O)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 45
+70.07774	22907	"Theoretical m/z 70.077698, Mass diff 0 (0.59 ppm), SMILES *CC=C(C)C, Annotation [C5H10]+, Rule of HR False"
+73.04683	18183
+77.0386	146231	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.0339	76701
+79.04166	781736
+80.04497	106210
+81.06988	384283	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.04131	104698
+83.04914	868105	"Theoretical m/z 83.049144, Mass diff 0 (0.05 ppm), SMILES *CC(=CC=O)C, Annotation [C5H8O-H]+, Rule of HR True"
+84.05699	527779	"Theoretical m/z 84.056969, Mass diff 0 (0.25 ppm), SMILES [H][O+]\C=C(/C)C=C, Annotation [C5H8O-H]+, Rule of HR True"
+85.0648	58647	"Theoretical m/z 85.064794, Mass diff 0 (0.07 ppm), SMILES *CC(=CC=O)C, Annotation [C5H8O+H]+, Rule of HR True"
+89.03861	10663	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05426	350990	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06206	63025	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06995	58685	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.07774	450576	"Theoretical m/z 94.077702, Mass diff 0 (0.41 ppm), SMILES *C(=CCCC(*)(*)C)C, Annotation [C7H14-4H]+, Rule of HR False"
+95.04917	323876	"Theoretical m/z 95.049141, Mass diff 0 (0.31 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+96.0444	34260
+97.06483	23061	"Theoretical m/z 97.064789, Mass diff 0 (0.42 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+98.07259	16502
+103.05424	26470	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06992	73591	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07774	20220	"Theoretical m/z 106.077702, Mass diff 0 (0.36 ppm), SMILES *C=C(C)CCC=C(*)C, Annotation [C8H14-4H]+, Rule of HR False"
+107.08553	74783	"Theoretical m/z 107.085527, Mass diff 0 (0.03 ppm), SMILES *C=C(C)CCC=C(*)C, Annotation [C8H14-3H]+, Rule of HR True"
+108.09333	47734	"Theoretical m/z 108.093352, Mass diff 0 (0.2 ppm), SMILES *C=C(C)CCC=C(*)C, Annotation [C8H14-2H]+, Rule of HR False"
+109.06483	200756	"Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O"
+109.10121	423712	"Theoretical m/z 109.101177, Mass diff 0 (0.3 ppm), SMILES *C=C(C)CCC=C(*)C, Annotation [C8H14-H]+, Rule of HR True"
+110.07262	101406	"Theoretical m/z 110.072615, Mass diff 0 (0.04 ppm), SMILES *C(*)CCC(=CC=O)C, Annotation [C7H12O-2H]+, Rule of HR False"
+115.05421	39126	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06987	37851	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.08555	224629	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.08888	37559
+121.10118	56239	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+122.09652	9432
+123.11681	421680	"Theoretical m/z 123.116825, Mass diff 0 (0.12 ppm), SMILES *C=C(C)CCC=C(C)C, Annotation [C9H16-H]+, Rule of HR True"
+124.11208	50388
+132.09335	11128	"Theoretical m/z 132.0939, Mass diff 0 (0 ppm), Formula C10H12"
+134.10899	21342	"Theoretical m/z 134.10955, Mass diff 0 (0 ppm), Formula C10H14"
+135.06247	16363
+135.08041	12605	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+137.09608	667918	"Theoretical m/z 137.096088, Mass diff 0 (0.06 ppm), SMILES *C(=CCCC(=CC=O)C)C, Annotation [C9H14O-H]+, Rule of HR True"
+138.09943	64412
+147.06554	8853
+152.11948	33100	"Theoretical m/z 152.119569, Mass diff 0 (0.58 ppm), SMILES O=CC=C(C)CCC=C(C)C, Annotation [C10H16O]+, Rule of HR False"
+211.06044	13594
+
+NAME: 1-Fluronaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1196.4
+PRECURSORMZ: 146.0526
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H7F
+INCHIKEY: CWLKTJOTWITYSI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C=CC=C2F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 17
+74.01511	47356	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.0104	23523
+83.04916	37229
+87.02294	20812	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+94.04138	27135
+98.01518	33085
+99.02298	70039	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.0308	22621
+120.03701	145741
+125.03863	100087	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+126.04644	163768
+144.03697	58222
+145.04477	45990	"Theoretical m/z 145.045353, Mass diff 0 (0 ppm), Formula C10H6F"
+146.0526	1698266	"Theoretical m/z 146.052628, Mass diff 0 (0.19 ppm), SMILES FC1=CC=CC=2C=CC=CC12, Annotation [C10H7F]+, Rule of HR False"
+147.05591	185764
+163.05527	19250
+173.05096	52889
+
+NAME: alpha-Hexylcinnamaldehyde
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1751.1
+PRECURSORMZ: 207.03215
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H20O
+INCHIKEY: GUUHFMWKWLOQMM-NTCAYCPXSA-N
+INCHI: 
+SMILES: CCCCCCC(=CC1=CC=CC=C1)C=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 47
+70.0777	71050	"Theoretical m/z 70.077704, Mass diff 0 (0.06 ppm), SMILES *CCCCC, Annotation [C5H12-2H]+, Rule of HR False"
+71.08553	106164	"Theoretical m/z 71.085529, Mass diff 0 (0.01 ppm), SMILES *CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+75.02295	68626	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03075	69395	"Theoretical m/z 76.030753, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03858	390154	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04644	325538	"Theoretical m/z 78.046403, Mass diff 0 (0.48 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+85.1012	65244	"Theoretical m/z 85.101177, Mass diff 0 (0.27 ppm), SMILES *CCCCCC, Annotation [C6H14-H]+, Rule of HR True"
+89.0386	514925	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05424	3799280	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.05759	284144
+95.04917	282870	"Theoretical m/z 95.049141, Mass diff 0 (0.31 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+102.04642	205836	"Theoretical m/z 102.046401, Mass diff 0 (0.19 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8-2H]+, Rule of HR False"
+103.05424	320742	"Theoretical m/z 103.054226, Mass diff 0 (0.14 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8-H]+, Rule of HR True"
+104.06205	306758	"Theoretical m/z 104.062051, Mass diff 0 (0.01 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8]+, Rule of HR False"
+105.06992	309477	"Theoretical m/z 105.069876, Mass diff 0 (0.42 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8+H]+, Rule of HR True"
+109.10123	71760	"Theoretical m/z 109.101175, Mass diff 0 (0.51 ppm), SMILES *C=C(*)CCCCCC, Annotation [C8H16-3H]+, Rule of HR True"
+111.08046	187832	"Theoretical m/z 111.08044, Mass diff 0 (0.18 ppm), SMILES *C=C(C=O)CCCC*, Annotation [C7H12O-H]+, Rule of HR True"
+115.05423	6172663	"Theoretical m/z 115.054223, Mass diff 0 (0.06 ppm), SMILES *C(=CC=1C=CC=CC1)C*, Annotation [C9H10-3H]+, Rule of HR True"
+116.06204	1313916	"Theoretical m/z 116.062048, Mass diff 0 (0.07 ppm), SMILES *C(=CC=1C=CC=CC1)C*, Annotation [C9H10-2H]+, Rule of HR False"
+117.06983	3595885	"Theoretical m/z 117.069873, Mass diff 0 (0.37 ppm), SMILES *C(=CC=1C=CC=CC1)C*, Annotation [C9H10-H]+, Rule of HR True"
+118.07319	472458
+124.08831	92323	"Theoretical m/z 124.088263, Mass diff 0 (0.38 ppm), SMILES *C=C(C=O)CCCCC*, Annotation [C8H14O-2H]+, Rule of HR False"
+126.04643	70052
+127.05421	163374	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06204	1131265	"Theoretical m/z 128.062054, Mass diff 0 (0.11 ppm), SMILES *C(=CC=1C=CC=CC1)CC*, Annotation [C10H12-4H]+, Rule of HR False"
+129.05774	93750
+129.06984	6320722	"Theoretical m/z 129.069879, Mass diff 0 (0.3 ppm), SMILES *C(=CC=1C=CC=CC1)CC*, Annotation [C10H12-3H]+, Rule of HR True"
+130.07327	792934
+131.08553	2114886	"Theoretical m/z 131.085529, Mass diff 0 (0.01 ppm), SMILES *C(=CC=1C=CC=CC1)CC*, Annotation [C10H12-H]+, Rule of HR True"
+132.08888	238271
+135.08054	78133	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+141.06984	1077844	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07764	263936
+143.08553	208280	"Theoretical m/z 143.085519, Mass diff 0 (0.08 ppm), SMILES *C(=CC=1C=CC=CC1)CCC*, Annotation [C11H14-3H]+, Rule of HR True"
+144.0569	106547
+145.06474	2593633	"Theoretical m/z 145.064792, Mass diff 0 (0.36 ppm), SMILES *CC(C=O)=CC=1C=CC=CC1, Annotation [C10H10O-H]+, Rule of HR True"
+146.06805	341520
+153.06976	100850	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07752	68646
+155.06029	658298
+158.07253	353434
+159.08031	328035	"Theoretical m/z 159.080448, Mass diff 0 (0.87 ppm), SMILES *CCC(C=O)=CC=1C=CC=CC1, Annotation [C11H12O-H]+, Rule of HR True"
+171.11671	221580	"Theoretical m/z 171.11683, Mass diff 0 (0.7 ppm), SMILES *C(=CC=1C=CC=CC1)CCCCC*, Annotation [C13H18-3H]+, Rule of HR True"
+173.09599	659898	"Theoretical m/z 173.096088, Mass diff 0 (0.57 ppm), SMILES *CCCC(C=O)=CC=1C=CC=CC1, Annotation [C12H14O-H]+, Rule of HR True"
+174.09932	130567
+201.12727	1646743	"Theoretical m/z 201.127399, Mass diff 0 (0.64 ppm), SMILES *CCCCCC(C=O)=CC=1C=CC=CC1, Annotation [C14H18O-H]+, Rule of HR True"
+202.1351	576546
+
+NAME: Lilial
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1532
+PRECURSORMZ: 204.15082
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H20O
+INCHIKEY: SDQFDHOLCGWZPU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 38
+78.03388	154349
+79.04167	251479
+89.0386	140983	"Theoretical m/z 89.038575, Mass diff 0 (0.28 ppm), SMILES *C1=CC=C(C=C1)C*, Annotation [C7H8-3H]+, Rule of HR True"
+91.05427	2118266	"Theoretical m/z 91.054226, Mass diff 0 (0.49 ppm), SMILES *C1=CC=C(C=C1)C*, Annotation [C7H8-H]+, Rule of HR True"
+92.05762	286363
+102.04646	68672	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05425	66944	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06208	140917	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06993	933007	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07327	87756
+107.08556	85897	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+115.05425	1399935	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06207	452050	"Theoretical m/z 116.062054, Mass diff 0 (0.14 ppm), SMILES *C1=CC=C(C=C1)CC(*)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.06988	1950138	"Theoretical m/z 117.069879, Mass diff 0 (0.01 ppm), SMILES *C1=CC=C(C=C1)CC(*)C, Annotation [C9H12-3H]+, Rule of HR True"
+118.07324	206990
+119.08554	1592499	"Theoretical m/z 119.085529, Mass diff 0 (0.09 ppm), SMILES *C1=CC=C(C=C1)CC(*)C, Annotation [C9H12-H]+, Rule of HR True"
+120.08889	165889
+128.06207	537574	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.0699	170276	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07776	1207836
+131.08554	3760584	"Theoretical m/z 131.085519, Mass diff 0 (0.16 ppm), SMILES *CC1=CC=C(C=C1)C(*)(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+132.09335	977824	"Theoretical m/z 132.093344, Mass diff 0 (0.04 ppm), SMILES *C1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14-2H]+, Rule of HR False"
+133.10117	390893	"Theoretical m/z 133.101169, Mass diff 0 (0.01 ppm), SMILES *C1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14-H]+, Rule of HR True"
+134.10896	71281	"Theoretical m/z 134.108994, Mass diff 0 (0.26 ppm), SMILES *C1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14]+, Rule of HR False"
+141.06981	83260	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+143.08551	192670	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+145.10117	530021	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+147.08041	659760	"Theoretical m/z 147.080448, Mass diff 0 (0.26 ppm), SMILES *C1=CC=C(C=C1)CC(C=O)C, Annotation [C10H12O-H]+, Rule of HR True"
+147.11678	2353890	"Theoretical m/z 147.116825, Mass diff 0 (0.3 ppm), SMILES *CC1=CC=C(C=C1)C(C)(C)C, Annotation [C11H16-H]+, Rule of HR True"
+148.08821	768461
+149.09151	61470
+155.06029	67088
+159.11676	135077	"Theoretical m/z 159.11683, Mass diff 0 (0.44 ppm), SMILES *C(*)CC1=CC=C(C=C1)C(C)(C)C, Annotation [C12H18-3H]+, Rule of HR True"
+161.09602	343616	"Theoretical m/z 161.09664, Mass diff 0 (0 ppm), Formula C11H13O"
+171.11678	110543	"Theoretical m/z 171.117375, Mass diff 0 (0 ppm), Formula C13H15"
+189.12727	5637073	"Theoretical m/z 189.127399, Mass diff 0 (0.68 ppm), SMILES *C(C=O)CC1=CC=C(C=C1)C(C)(C)C, Annotation [C13H18O-H]+, Rule of HR True"
+190.13058	767210
+204.15082	284855	"Theoretical m/z 204.150864, Mass diff 0 (0.22 ppm), SMILES O=CC(C)CC1=CC=C(C=C1)C(C)(C)C, Annotation [C14H20O]+, Rule of HR False"
+
+NAME: alpha-Amylcinnamyl alcohol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1688.8
+PRECURSORMZ: 204.151
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H20O
+INCHIKEY: LIPHCKNQPJXUQF-KAMYIIQDSA-N
+INCHI: 
+SMILES: CCCCC/C(=C/C1=CC=CC=C1)/CO
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 40
+71.08553	70350	"Theoretical m/z 71.085529, Mass diff 0 (0.01 ppm), SMILES *CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+77.03858	228470	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.03387	257695
+79.04166	163273
+80.04499	67551
+81.0699	130664	"Theoretical m/z 81.069878, Mass diff 0 (0.28 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+89.0386	222501	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05425	2887012	"Theoretical m/z 91.054226, Mass diff 0 (0.27 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.06206	814564	"Theoretical m/z 92.062051, Mass diff 0 (0.1 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8]+, Rule of HR False"
+93.06991	67443	"Theoretical m/z 93.069876, Mass diff 0 (0.37 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8+H]+, Rule of HR True"
+95.08556	120275	"Theoretical m/z 95.085527, Mass diff 0 (0.35 ppm), SMILES *C=C(*)CCCCC, Annotation [C7H14-3H]+, Rule of HR True"
+99.08048	49533	"Theoretical m/z 99.080444, Mass diff 0 (0.36 ppm), SMILES [OH+]=C1CCCCC1, Annotation [C6H11O]+, Rule of HR True"
+102.04644	92350	"Theoretical m/z 102.046401, Mass diff 0 (0.39 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8-2H]+, Rule of HR False"
+103.05424	230299	"Theoretical m/z 103.054226, Mass diff 0 (0.14 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8-H]+, Rule of HR True"
+104.06206	551840	"Theoretical m/z 104.062051, Mass diff 0 (0.09 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8]+, Rule of HR False"
+105.06991	1202464	"Theoretical m/z 105.069876, Mass diff 0 (0.33 ppm), SMILES *C(*)=CC=1C=CC=CC1, Annotation [C8H8+H]+, Rule of HR True"
+106.07325	42231
+115.05423	3189826	"Theoretical m/z 115.054223, Mass diff 0 (0.06 ppm), SMILES *C(=CC=1C=CC=CC1)C*, Annotation [C9H10-3H]+, Rule of HR True"
+116.05758	546671
+117.06985	1273655	"Theoretical m/z 117.069873, Mass diff 0 (0.2 ppm), SMILES *C(=CC=1C=CC=CC1)C*, Annotation [C9H10-H]+, Rule of HR True"
+118.0732	135623
+120.05696	57230	"Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O"
+126.04642	36311
+127.05423	71447	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06204	1185568	"Theoretical m/z 128.062054, Mass diff 0 (0.11 ppm), SMILES *CC(=CC=1C=CC=CC1)C*, Annotation [C10H12-4H]+, Rule of HR False"
+129.06984	1975377	"Theoretical m/z 129.069879, Mass diff 0 (0.3 ppm), SMILES *CC(=CC=1C=CC=CC1)C*, Annotation [C10H12-3H]+, Rule of HR True"
+130.07771	1343488
+131.08551	388971	"Theoretical m/z 131.085529, Mass diff 0 (0.14 ppm), SMILES *CC(=CC=1C=CC=CC1)C*, Annotation [C10H12-H]+, Rule of HR True"
+132.08893	48002
+133.06477	1848389	"Theoretical m/z 133.064792, Mass diff 0 (0.17 ppm), SMILES *C(=CC=1C=CC=CC1)CO, Annotation [C9H10O-H]+, Rule of HR True"
+134.06813	197781
+141.06985	117523	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07768	55761
+143.08551	176709	"Theoretical m/z 143.085519, Mass diff 0 (0.06 ppm), SMILES *C(=CC=1C=CC=CC1)CCC*, Annotation [C11H14-3H]+, Rule of HR True"
+145.06473	217930	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+147.0804	60723	"Theoretical m/z 147.080448, Mass diff 0 (0.32 ppm), SMILES *CC(=CC=1C=CC=CC1)CO, Annotation [C10H12O-H]+, Rule of HR True"
+148.08818	144763
+149.0448	41347
+155.06029	85761
+201.12726	43998	"Theoretical m/z 201.12794, Mass diff 0 (0 ppm), Formula C14H17O"
+
+NAME: Eugenol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1355.6
+PRECURSORMZ: 164.08314
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H12O2
+INCHIKEY: RRAFCDWBNXTKKO-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=C(C=CC(=C1)CC=C)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 45
+73.04684	104731
+74.01512	83170	"Theoretical m/z 74.015103, Mass diff 0 (0.24 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+77.03862	1711648	"Theoretical m/z 77.038578, Mass diff 0 (0.55 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.0339	666443
+79.04168	851778
+80.04501	69470
+81.06992	144722	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+89.03862	225808	"Theoretical m/z 89.038575, Mass diff 0 (0.5 ppm), SMILES *C1=CC=C(C=C1*)C*, Annotation [C7H8-3H]+, Rule of HR True"
+91.05427	2506040	"Theoretical m/z 91.054226, Mass diff 0 (0.49 ppm), SMILES *C1=CC=C(C=C1*)C*, Annotation [C7H8-H]+, Rule of HR True"
+92.05762	116217
+93.06995	519764	"Theoretical m/z 93.069876, Mass diff 0 (0.8 ppm), SMILES *C1=CC=C(C=C1*)C*, Annotation [C7H8+H]+, Rule of HR True"
+94.04137	574987	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04918	365796	"Theoretical m/z 95.049141, Mass diff 0 (0.41 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+102.04644	235889	"Theoretical m/z 102.046398, Mass diff 0 (0.41 ppm), SMILES *C1=CC=C(C=C1*)CC(*)*, Annotation [C8H10-4H]+, Rule of HR False"
+103.05425	2910824	"Theoretical m/z 103.054223, Mass diff 0 (0.26 ppm), SMILES *C1=CC=C(C=C1*)CC(*)*, Annotation [C8H10-3H]+, Rule of HR True"
+104.06207	1594840	"Theoretical m/z 104.062048, Mass diff 0 (0.21 ppm), SMILES *C1=CC=C(C=C1*)CC(*)*, Annotation [C8H10-2H]+, Rule of HR False"
+105.06992	1088335	"Theoretical m/z 105.069873, Mass diff 0 (0.44 ppm), SMILES *C1=CC=C(C=C1*)CC(*)*, Annotation [C8H10-H]+, Rule of HR True"
+106.07324	80955
+107.04917	358282	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+109.06486	79400	"Theoretical m/z 109.064794, Mass diff 0 (0.6 ppm), SMILES *C1=CC(=CC=C1O)C*, Annotation [C7H8O+H]+, Rule of HR True"
+115.05427	364915	"Theoretical m/z 115.054223, Mass diff 0 (0.41 ppm), SMILES *C1=CC=C(C=C1*)CC=C, Annotation [C9H10-3H]+, Rule of HR True"
+117.06991	68239	"Theoretical m/z 117.069873, Mass diff 0 (0.31 ppm), SMILES *C1=CC=C(C=C1*)CC=C, Annotation [C9H10-H]+, Rule of HR True"
+119.04916	147697	"Theoretical m/z 119.049142, Mass diff 0 (0.15 ppm), SMILES *C1=CC=C(C=C1OC)C*, Annotation [C8H10O-3H]+, Rule of HR True"
+121.0648	1762113	"Theoretical m/z 121.064792, Mass diff 0 (0.06 ppm), SMILES *C1=CC=C(C=C1OC)C*, Annotation [C8H10O-H]+, Rule of HR True"
+122.03623	737520	"Theoretical m/z 122.036231, Mass diff 0 (0 ppm), SMILES *C1=CC=C(O)C(OC)=C1, Annotation [C7H8O2-2H]+, Rule of HR False"
+123.03961	69167
+131.04918	2837033	"Theoretical m/z 131.049142, Mass diff 0 (0.29 ppm), SMILES *OC1=CC(=CC=C1*)CC=C, Annotation [C9H10O-3H]+, Rule of HR True"
+132.05699	1599668	"Theoretical m/z 132.056967, Mass diff 0 (0.17 ppm), SMILES *C1=CC(=CC=C1O)CC=C, Annotation [C9H10O-2H]+, Rule of HR False"
+133.06479	1647019	"Theoretical m/z 133.064792, Mass diff 0 (0.02 ppm), SMILES *C1=CC(=CC=C1O)CC=C, Annotation [C9H10O-H]+, Rule of HR True"
+134.06818	159461
+135.04404	150539	"Theoretical m/z 135.044061, Mass diff 0 (0.16 ppm), SMILES *OC1=CC(=CC=C1O)CC(*)*, Annotation [C8H10O2-3H]+, Rule of HR True"
+137.05971	1138465	"Theoretical m/z 137.059711, Mass diff 0 (0.01 ppm), SMILES *CC1=CC=C(O)C(OC)=C1, Annotation [C8H10O2-H]+, Rule of HR True"
+138.06299	100032
+147.08041	450573	"Theoretical m/z 147.080448, Mass diff 0 (0.26 ppm), SMILES *C1=CC=C(C=C1OC)CC=C, Annotation [C10H12O-H]+, Rule of HR True"
+149.05968	2542464	"Theoretical m/z 149.059711, Mass diff 0 (0.21 ppm), SMILES *OC1=CC(=CC=C1O)CC=C, Annotation [C9H10O2-H]+, Rule of HR True"
+150.063	204780
+163.07529	188031	"Theoretical m/z 163.075905, Mass diff 0 (0 ppm), Formula C10H11O2"
+164.08314	6569096	"Theoretical m/z 164.083176, Mass diff 0 (0.22 ppm), SMILES OC1=CC=C(C=C1OC)CC=C, Annotation [C10H12O2]+, Rule of HR False"
+165.08649	579423
+209.01157	67793
+281.05102	109921
+285.00967	82918
+324.98636	73434
+355.06976	123911
+357.06644	95245
+
+NAME: Isoeugenol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1452.1
+PRECURSORMZ: 164.08308
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H12O2
+INCHIKEY: BJIOGJUNALELMI-ONEGZZNKSA-N
+INCHI: 
+SMILES: CC=CC1=CC(=C(C=C1)O)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 43
+75.02295	139431	"Theoretical m/z 75.022928, Mass diff 0 (0.3 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-3H]+, Rule of HR True"
+76.01818	37425
+77.03858	475441	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.04166	404963
+81.06994	55579	"Theoretical m/z 81.069878, Mass diff 0 (0.77 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+85.00729	80657	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10113	42873	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.01516	34483	"Theoretical m/z 86.0151, Mass diff 0 (0.69 ppm), SMILES *C1=CC=C(C=C1*)C(*)*, Annotation [C7H8-6H]+, Rule of HR False"
+89.03856	63996	"Theoretical m/z 89.038575, Mass diff 0 (0.17 ppm), SMILES *C1=CC=C(C=C1*)C(*)*, Annotation [C7H8-3H]+, Rule of HR True"
+91.05426	731806	"Theoretical m/z 91.054226, Mass diff 0 (0.38 ppm), SMILES *C1=CC=C(C=C1*)C(*)*, Annotation [C7H8-H]+, Rule of HR True"
+92.05756	72370
+93.06995	162557	"Theoretical m/z 93.069876, Mass diff 0 (0.8 ppm), SMILES *C1=CC=C(C=C1*)C(*)*, Annotation [C7H8+H]+, Rule of HR True"
+95.0492	90439	"Theoretical m/z 95.049141, Mass diff 0 (0.62 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+96.04438	205558
+97.04773	24818
+98.09651	84936
+103.04166	865621
+104.04948	342171
+105.04475	271049
+106.02885	67166
+107.04922	103264	"Theoretical m/z 107.049141, Mass diff 0 (0.74 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05423	106379	"Theoretical m/z 115.054223, Mass diff 0 (0.06 ppm), SMILES *C1=CC=C(C=CC)C=C1*, Annotation [C9H10-3H]+, Rule of HR True"
+119.04916	148823	"Theoretical m/z 119.049144, Mass diff 0 (0.13 ppm), SMILES *C=CC1=CC=C(O)C(*)=C1, Annotation [C8H8O-H]+, Rule of HR True"
+121.06475	421796	"Theoretical m/z 121.064794, Mass diff 0 (0.37 ppm), SMILES *C=CC1=CC=C(O)C(*)=C1, Annotation [C8H8O+H]+, Rule of HR True"
+122.06818	35870
+131.04913	755331	"Theoretical m/z 131.049142, Mass diff 0 (0.09 ppm), SMILES *C=CC1=CC=C(*)C(OC)=C1, Annotation [C9H10O-3H]+, Rule of HR True"
+132.05692	267118	"Theoretical m/z 132.056967, Mass diff 0 (0.36 ppm), SMILES *C1=CC(=CC=C1O)C=CC, Annotation [C9H10O-2H]+, Rule of HR False"
+133.06476	426164	"Theoretical m/z 133.064792, Mass diff 0 (0.24 ppm), SMILES *C1=CC(=CC=C1O)C=CC, Annotation [C9H10O-H]+, Rule of HR True"
+137.05978	117986	"Theoretical m/z 137.059711, Mass diff 0 (0.5 ppm), SMILES *C(*)C1=CC=C(O)C(OC)=C1, Annotation [C8H10O2-H]+, Rule of HR True"
+146.05998	196203
+147.05524	150795
+149.05971	591194	"Theoretical m/z 149.059711, Mass diff 0 (0.01 ppm), SMILES *C=CC1=CC=C(O)C(OC)=C1, Annotation [C9H10O2-H]+, Rule of HR True"
+150.06313	28905
+155.06027	237477
+159.05524	68597
+160.06296	145563
+163.07529	141083	"Theoretical m/z 163.075905, Mass diff 0 (0 ppm), Formula C10H11O2"
+164.08308	2337211	"Theoretical m/z 164.083176, Mass diff 0 (0.59 ppm), SMILES OC1=CC=C(C=CC)C=C1OC, Annotation [C10H12O2]+, Rule of HR False"
+165.08644	207798
+171.05521	84162
+184.08798	25253
+207.03244	29511
+225.04286	40788
+
+NAME: 4-Methoxybenzyl alcohol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1285.7
+PRECURSORMZ: 138.06746
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H10O2
+INCHIKEY: MSHFRERJPWKJFX-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=CC=C(C=C1)CO
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 25
+74.01508	92951	"Theoretical m/z 74.015103, Mass diff 0 (0.3 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+77.03858	2774913	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.03387	794728
+79.04164	1427235
+80.04496	107511
+85.06479	227982	"Theoretical m/z 85.06534, Mass diff 0 (0 ppm), Formula C5H9O"
+89.03858	391206	"Theoretical m/z 89.038575, Mass diff 0 (0.05 ppm), SMILES *C1=CC=C(C=C1)C*, Annotation [C7H8-3H]+, Rule of HR True"
+91.05424	1328456	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES *C1=CC=C(C=C1)C*, Annotation [C7H8-H]+, Rule of HR True"
+92.02566	426879	"Theoretical m/z 92.025664, Mass diff 0 (0.04 ppm), SMILES *OC1=CC=C(*)C=C1, Annotation [C6H6O-2H]+, Rule of HR False"
+94.04132	3840171	"Theoretical m/z 94.041313, Mass diff 0 (0.07 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04913	853517	"Theoretical m/z 95.049141, Mass diff 0 (-0.12 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+105.03351	1578123	"Theoretical m/z 105.033494, Mass diff 0 (0.15 ppm), SMILES *OC1=CC=C(C=C1)C*, Annotation [C7H8O-3H]+, Rule of HR True"
+106.04132	624961	"Theoretical m/z 106.041319, Mass diff 0 (0.01 ppm), SMILES *C1=CC=C(OC)C=C1, Annotation [C7H8O-2H]+, Rule of HR False"
+107.04914	1278412	"Theoretical m/z 107.049141, Mass diff 0 (-0.01 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05249	118930
+109.06479	8142086	"Theoretical m/z 109.064794, Mass diff 0 (0.04 ppm), SMILES *C1=CC=C(OC)C=C1, Annotation [C7H8O+H]+, Rule of HR True"
+110.06814	647871
+121.06476	3152403	"Theoretical m/z 121.064792, Mass diff 0 (0.27 ppm), SMILES *CC1=CC=C(OC)C=C1, Annotation [C8H10O-H]+, Rule of HR True"
+122.06811	335126
+123.044	369789	"Theoretical m/z 123.044056, Mass diff 0 (0.45 ppm), SMILES *OC1=CC=C(C=C1)CO, Annotation [C7H8O2-H]+, Rule of HR True"
+135.04401	795817	"Theoretical m/z 135.044604, Mass diff 0 (0 ppm), Formula C8H7O2"
+136.05186	191014	"Theoretical m/z 136.052429, Mass diff 0 (0 ppm), Formula C8H8O2"
+137.05966	3625137	"Theoretical m/z 137.060255, Mass diff 0 (0 ppm), Formula C8H9O2"
+138.06746	3606238	"Theoretical m/z 138.067536, Mass diff 0 (0.55 ppm), SMILES OCC1=CC=C(OC)C=C1, Annotation [C8H10O2]+, Rule of HR False"
+139.07082	334375
+
+NAME: Methyleugenol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1398.8
+PRECURSORMZ: 178.09866
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H14O2
+INCHIKEY: ZYEMGPIYFIJGTP-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=C(C=C(C=C1)CC=C)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 44
+77.03857	3248478	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04642	1250218	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.04165	2942231
+80.04499	207903
+89.03859	1133909	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04646	448141	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05424	10097310	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05759	1154565
+93.06988	202868	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04134	189141	"Theoretical m/z 94.041313, Mass diff 0 (0.29 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04916	696896	"Theoretical m/z 95.049141, Mass diff 0 (0.2 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+102.04642	565541	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05422	6558848	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.05757	957870
+105.0699	2086694	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.04131	317183	"Theoretical m/z 106.041319, Mass diff 0 (0.09 ppm), SMILES *C1=CC=C(*)C(OC)=C1, Annotation [C7H8O-2H]+, Rule of HR False"
+107.04913	9143905	"Theoretical m/z 107.049141, Mass diff 0 (-0.1 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05248	929785
+115.05421	3883176	"Theoretical m/z 115.054223, Mass diff 0 (0.12 ppm), SMILES *C1=CC=C(C=C1*)CC=C, Annotation [C9H10-3H]+, Rule of HR True"
+116.05757	710846
+117.06984	1085768	"Theoretical m/z 117.069873, Mass diff 0 (0.29 ppm), SMILES *C1=CC=C(C=C1*)CC=C, Annotation [C9H10-H]+, Rule of HR True"
+118.04122	283361	"Theoretical m/z 118.041317, Mass diff 0 (0.82 ppm), SMILES *C1=CC=C(C=C1OC)C*, Annotation [C8H10O-4H]+, Rule of HR False"
+119.04913	1131142	"Theoretical m/z 119.049142, Mass diff 0 (0.1 ppm), SMILES *C1=CC=C(C=C1OC)C*, Annotation [C8H10O-3H]+, Rule of HR True"
+120.05695	665240	"Theoretical m/z 120.056967, Mass diff 0 (0.14 ppm), SMILES *C1=CC=C(C=C1OC)C*, Annotation [C8H10O-2H]+, Rule of HR False"
+121.06474	767745	"Theoretical m/z 121.064792, Mass diff 0 (0.43 ppm), SMILES *C1=CC=C(C=C1OC)C*, Annotation [C8H10O-H]+, Rule of HR True"
+131.04915	1712245	"Theoretical m/z 131.049142, Mass diff 0 (0.06 ppm), SMILES *OC1=CC=C(C=C1*)CC=C, Annotation [C9H10O-3H]+, Rule of HR True"
+132.05695	692877	"Theoretical m/z 132.056967, Mass diff 0 (0.13 ppm), SMILES *OC1=CC=C(C=C1*)CC=C, Annotation [C9H10O-2H]+, Rule of HR False"
+133.06476	411395	"Theoretical m/z 133.064792, Mass diff 0 (0.24 ppm), SMILES *OC1=CC=C(C=C1*)CC=C, Annotation [C9H10O-H]+, Rule of HR True"
+135.0804	3075233	"Theoretical m/z 135.080442, Mass diff 0 (0.31 ppm), SMILES *OC1=CC=C(C=C1*)CC=C, Annotation [C9H10O+H]+, Rule of HR True"
+136.08374	474723
+145.06471	505599	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+146.07256	630792	"Theoretical m/z 146.072623, Mass diff 0 (0.43 ppm), SMILES *C1=CC=C(C=C1OC)CC=C, Annotation [C10H12O-2H]+, Rule of HR False"
+147.08034	9804147	"Theoretical m/z 147.080448, Mass diff 0 (0.73 ppm), SMILES *C1=CC=C(C=C1OC)CC=C, Annotation [C10H12O-H]+, Rule of HR True"
+148.08368	1062419
+149.05962	802328	"Theoretical m/z 149.059711, Mass diff 0 (0.61 ppm), SMILES *OC1=CC=C(C=C1O*)CC=C, Annotation [C9H10O2-H]+, Rule of HR True"
+151.07524	2029293	"Theoretical m/z 151.075363, Mass diff 0 (-0.82 ppm), SMILES COC1=C(OC)C=C([CH2+])C=C1, Annotation [C9H11O2]+, Rule of HR True"
+152.07861	274838
+161.05962	197516	"Theoretical m/z 161.060255, Mass diff 0 (0 ppm), Formula C10H9O2"
+162.06741	191019	"Theoretical m/z 162.067526, Mass diff 0 (0.72 ppm), SMILES *OC1=CC=C(C=C1OC)CC=C, Annotation [C10H12O2-2H]+, Rule of HR False"
+163.07523	7098975	"Theoretical m/z 163.075351, Mass diff 0 (0.74 ppm), SMILES *OC1=CC=C(C=C1OC)CC=C, Annotation [C10H12O2-H]+, Rule of HR True"
+164.07864	786647
+177.09088	450781	"Theoretical m/z 177.091555, Mass diff 0 (0 ppm), Formula C11H13O2"
+178.09866	17681958	"Theoretical m/z 178.098832, Mass diff 0 (0.97 ppm), SMILES O(C1=CC=C(C=C1OC)CC=C)C, Annotation [C11H14O2]+, Rule of HR False"
+179.10199	2013476
+
+NAME: Cinnamyl alcohol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1309.5
+PRECURSORMZ: 134.07257
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H10O
+INCHIKEY: OOCCDEMITAIZTP-QPJJXVBHSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)/C=C/CO
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 29
+74.0151	184973	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.01038	156293
+76.03077	230397	"Theoretical m/z 76.030753, Mass diff 0 (0.23 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03859	1958489	"Theoretical m/z 77.038578, Mass diff 0 (0.16 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04644	2513248	"Theoretical m/z 78.046403, Mass diff 0 (0.48 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.04165	2104406
+80.04497	143106
+86.01511	84632	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02297	94677	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03858	722835	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04646	116462	"Theoretical m/z 90.046401, Mass diff 0 (0.66 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8-2H]+, Rule of HR False"
+91.05424	6621026	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.06203	8250774	"Theoretical m/z 92.062051, Mass diff 0 (0.22 ppm), SMILES *C(*)C=1C=CC=CC1, Annotation [C7H8]+, Rule of HR False"
+93.06543	611489
+95.04916	321075	"Theoretical m/z 95.049141, Mass diff 0 (0.2 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+102.04642	468705	"Theoretical m/z 102.046401, Mass diff 0 (0.19 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8-2H]+, Rule of HR False"
+103.05423	1702405	"Theoretical m/z 103.054226, Mass diff 0 (0.04 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8-H]+, Rule of HR True"
+104.05756	242368
+105.06989	2165852	"Theoretical m/z 105.069876, Mass diff 0 (0.14 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8+H]+, Rule of HR True"
+106.06513	532054
+107.07295	214884
+115.05421	3932489	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06203	1235671	"Theoretical m/z 116.062048, Mass diff 0 (0.16 ppm), SMILES *CC=CC=1C=CC=CC1, Annotation [C9H10-2H]+, Rule of HR False"
+117.06984	373837	"Theoretical m/z 117.069873, Mass diff 0 (0.29 ppm), SMILES *CC=CC=1C=CC=CC1, Annotation [C9H10-H]+, Rule of HR True"
+131.04913	600050	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+132.0569	114052	"Theoretical m/z 132.057515, Mass diff 0 (0 ppm), Formula C9H8O"
+133.06477	1030751	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+134.07257	1076250	"Theoretical m/z 134.072617, Mass diff 0 (0.35 ppm), SMILES OCC=CC=1C=CC=CC1, Annotation [C9H10O]+, Rule of HR False"
+135.0759	89327
+
+NAME: Benzyl alcohol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1033.2
+PRECURSORMZ: 108.05694
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C7H8O
+INCHIKEY: WVDDGKGOMKODPV-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)CO
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 17
+74.01513	403741	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+77.03861	9700787	"Theoretical m/z 77.038578, Mass diff 0 (0.42 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.03391	2074195
+79.0417	22872312
+80.04494	1820032
+81.06986	331267	"Theoretical m/z 81.070425, Mass diff 0 (0 ppm), Formula C6H9"
+83.04913	297664	"Theoretical m/z 83.04969, Mass diff 0 (0 ppm), Formula C5H7O"
+89.03859	1893936	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04645	1216224	"Theoretical m/z 90.046401, Mass diff 0 (0.55 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-2H]+, Rule of HR False"
+91.05425	2312596	"Theoretical m/z 91.054226, Mass diff 0 (0.27 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+95.04917	1023117	"Theoretical m/z 95.049141, Mass diff 0 (0.31 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+97.06483	2255963	"Theoretical m/z 97.06534, Mass diff 0 (0 ppm), Formula C6H9O"
+105.03353	670001	"Theoretical m/z 105.03404, Mass diff 0 (0 ppm), Formula C7H5O"
+107.04915	6650090	"Theoretical m/z 107.049141, Mass diff 0 (0.08 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05694	6671440	"Theoretical m/z 108.056969, Mass diff 0 (0.27 ppm), SMILES OCC=1C=CC=CC1, Annotation [C7H8O]+, Rule of HR False"
+109.06034	534567
+111.08044	645194
+
+
+NAME: Estragole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1202.2
+PRECURSORMZ: 148.08815
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H12O
+INCHIKEY: ZFMSMUAANRJZFM-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=CC=C(C=C1)CC=C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 29
+74.01513	433532	"Theoretical m/z 74.015103, Mass diff 0 (0.37 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-4H]+, Rule of HR False"
+76.03078	483924	"Theoretical m/z 76.030753, Mass diff 0 (0.36 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.0386	8365457	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04646	4692553	"Theoretical m/z 78.046403, Mass diff 0 (0.73 ppm), SMILES *C1=CC=C(*)C=C1, Annotation [C6H6]+, Rule of HR False"
+79.04168	3352284
+89.03861	2459164	"Theoretical m/z 89.038575, Mass diff 0 (0.39 ppm), SMILES *C1=CC=C(C=C1)C*, Annotation [C7H8-3H]+, Rule of HR True"
+90.04645	560604	"Theoretical m/z 90.046401, Mass diff 0 (0.55 ppm), SMILES *C1=CC=C(C=C1)C*, Annotation [C7H8-2H]+, Rule of HR False"
+91.05427	18015294	"Theoretical m/z 91.054226, Mass diff 0 (0.49 ppm), SMILES *C1=CC=C(C=C1)C*, Annotation [C7H8-H]+, Rule of HR True"
+92.05762	1599755
+102.04646	1172900	"Theoretical m/z 102.046398, Mass diff 0 (0.6 ppm), SMILES *C1=CC=C(C=C1)CC(*)*, Annotation [C8H10-4H]+, Rule of HR False"
+103.05427	6749555	"Theoretical m/z 103.054223, Mass diff 0 (0.45 ppm), SMILES *C1=CC=C(C=C1)CC(*)*, Annotation [C8H10-3H]+, Rule of HR True"
+104.06206	1355521	"Theoretical m/z 104.062048, Mass diff 0 (0.11 ppm), SMILES *C1=CC=C(C=C1)CC(*)*, Annotation [C8H10-2H]+, Rule of HR False"
+105.06993	9782420	"Theoretical m/z 105.069873, Mass diff 0 (0.54 ppm), SMILES *C1=CC=C(C=C1)CC(*)*, Annotation [C8H10-H]+, Rule of HR True"
+106.07327	970145
+107.04917	615623	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05426	16783564	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06207	5539473	"Theoretical m/z 116.062048, Mass diff 0 (0.19 ppm), SMILES *C1=CC=C(C=C1)CC=C, Annotation [C9H10-2H]+, Rule of HR False"
+117.06987	19592694	"Theoretical m/z 117.069873, Mass diff 0 (0.03 ppm), SMILES *C1=CC=C(C=C1)CC=C, Annotation [C9H10-H]+, Rule of HR True"
+118.07322	2317303
+119.08556	2206892	"Theoretical m/z 119.085524, Mass diff 0 (0.31 ppm), SMILES *C1=CC=C(C=C1)CC=C, Annotation [C9H10+H]+, Rule of HR True"
+121.06479	12931898	"Theoretical m/z 121.064792, Mass diff 0 (0.02 ppm), SMILES *CC1=CC=C(OC)C=C1, Annotation [C8H10O-H]+, Rule of HR True"
+122.06815	995290
+131.04919	2400102	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+132.05699	1659959	"Theoretical m/z 132.056967, Mass diff 0 (0.17 ppm), SMILES *OC1=CC=C(C=C1)CC=C, Annotation [C9H10O-2H]+, Rule of HR False"
+133.06482	5294918	"Theoretical m/z 133.064792, Mass diff 0 (0.21 ppm), SMILES *OC1=CC=C(C=C1)CC=C, Annotation [C9H10O-H]+, Rule of HR True"
+134.06818	536167
+147.08041	34163156	"Theoretical m/z 147.08099, Mass diff 0 (0 ppm), Formula C10H11O"
+148.08815	30406186	"Theoretical m/z 148.088273, Mass diff 0 (0.83 ppm), SMILES O(C1=CC=C(C=C1)CC=C)C, Annotation [C10H12O]+, Rule of HR False"
+149.09154	3059958
+
+NAME: Benzyl benzoate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1776.6
+PRECURSORMZ: 212.08305
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H12O2
+INCHIKEY: SESFRYSPDFLNCH-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 20
+77.03856	10000285	"Theoretical m/z 77.038578, Mass diff 0 (0.23 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04195	938126
+79.04164	2090052
+89.03857	2938165	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04644	1635453	"Theoretical m/z 90.046401, Mass diff 0 (0.44 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-2H]+, Rule of HR False"
+91.05422	16525084	"Theoretical m/z 91.054226, Mass diff 0 (0.06 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.05756	922203
+95.04915	419370	"Theoretical m/z 95.049141, Mass diff 0 (0.1 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+105.03348	32539244	"Theoretical m/z 105.033489, Mass diff 0 (0.08 ppm), SMILES *C(=O)C=1C=CC=CC1, Annotation [C7H6O-H]+, Rule of HR True"
+106.0368	2441540
+107.04908	758367	"Theoretical m/z 107.049141, Mass diff 0 (-0.57 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+152.06194	609541
+165.06976	1762550	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07762	724468	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.08539	6933510	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+168.08878	1500957
+193.06464	407508	"Theoretical m/z 193.06534, Mass diff 0 (0 ppm), Formula C14H9O"
+194.07245	13609259	"Theoretical m/z 194.073165, Mass diff 0 (0 ppm), Formula C14H10O"
+195.07578	1930031
+212.08305	2081700	"Theoretical m/z 212.083176, Mass diff 0 (0.6 ppm), SMILES O=C(OCC=1C=CC=CC1)C=2C=CC=CC2, Annotation [C14H12O2]+, Rule of HR False"
+
+NAME: Benzyl cinnamate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2110.2
+PRECURSORMZ: 238.0988
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H14O2
+INCHIKEY: NGHOLYJTSCBCGC-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 36
+74.0151	147036	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02296	167708	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03078	297841	"Theoretical m/z 76.030753, Mass diff 0 (0.36 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03857	2943062	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+78.04642	562842	"Theoretical m/z 78.046403, Mass diff 0 (0.22 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6]+, Rule of HR False"
+79.04166	827043
+89.03859	983624	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04647	350018	"Theoretical m/z 90.046401, Mass diff 0 (0.77 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-2H]+, Rule of HR False"
+91.05424	10131678	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.05758	839010
+95.04915	431995	"Theoretical m/z 95.049141, Mass diff 0 (0.1 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+102.04642	1041195	"Theoretical m/z 102.046401, Mass diff 0 (0.19 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8-2H]+, Rule of HR False"
+103.05421	6881438	"Theoretical m/z 103.054226, Mass diff 0 (0.15 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8-H]+, Rule of HR True"
+104.06203	1560308	"Theoretical m/z 104.062051, Mass diff 0 (0.2 ppm), SMILES *C=CC=1C=CC=CC1, Annotation [C8H8]+, Rule of HR False"
+105.0335	515675	"Theoretical m/z 105.03404, Mass diff 0 (0 ppm), Formula C7H5O"
+107.04915	170712	"Theoretical m/z 107.049141, Mass diff 0 (0.08 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05421	4029798	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06204	904284	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+131.04913	9143830	"Theoretical m/z 131.049137, Mass diff 0 (0.05 ppm), SMILES *C(=O)C=CC=1C=CC=CC1, Annotation [C9H8O-H]+, Rule of HR True"
+132.05247	997663
+147.04399	743450	"Theoretical m/z 147.044056, Mass diff 0 (0.45 ppm), SMILES *OC(=O)C=CC=1C=CC=CC1, Annotation [C9H8O2-H]+, Rule of HR True"
+160.05183	169554	"Theoretical m/z 160.051886, Mass diff 0 (0.35 ppm), SMILES *COC(=O)C=CC=1C=CC=CC1, Annotation [C10H10O2-2H]+, Rule of HR False"
+165.06979	356040	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+178.07758	2609704	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08543	931411	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.08878	119307
+191.0854	1697811	"Theoretical m/z 191.086075, Mass diff 0 (0 ppm), Formula C15H11"
+192.09318	11527729
+193.09659	1621159
+193.10103	6871272	"Theoretical m/z 193.101725, Mass diff 0 (0 ppm), Formula C15H13"
+194.10431	950942
+203.08542	140059	"Theoretical m/z 203.086075, Mass diff 0 (0 ppm), Formula C16H11"
+219.08034	688993	"Theoretical m/z 219.08099, Mass diff 0 (0 ppm), Formula C16H11O"
+220.08832	759191
+221.09137	139322
+238.0988	312402	"Theoretical m/z 238.098832, Mass diff 0 (0.13 ppm), SMILES O=C(OCC=1C=CC=CC1)C=CC=2C=CC=CC2, Annotation [C16H14O2]+, Rule of HR False"
+
+NAME: Benzyl salicylate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1882.4
+PRECURSORMZ: 228.07799
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H12O3
+INCHIKEY: ZCTQGTTXIYCGGC-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 8
+77.03857	431016	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES *C=1C=CC=CC1, Annotation [C6H6-H]+, Rule of HR True"
+79.04166	501621
+89.03862	913237	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05424	42685428	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES *CC=1C=CC=CC1, Annotation [C7H8-H]+, Rule of HR True"
+92.0575	3918150
+121.02838	991416	"Theoretical m/z 121.028408, Mass diff 0 (0.23 ppm), SMILES *C(=O)C=1C=CC=CC1O, Annotation [C7H6O2-H]+, Rule of HR True"
+210.06744	947880	"Theoretical m/z 210.067526, Mass diff 0 (0.41 ppm), SMILES *C=1C=CC=CC1C(=O)OCC=2C=CC=CC2, Annotation [C14H12O2-2H]+, Rule of HR False"
+228.07799	1116280	"Theoretical m/z 228.078095, Mass diff 0 (0.46 ppm), SMILES O=C(OCC=1C=CC=CC1)C=2C=CC=CC2O, Annotation [C14H12O3]+, Rule of HR False"
+
+NAME: Camphor
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1156.5
+PRECURSORMZ: 152.11949
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H16O
+INCHIKEY: DSSYKIVIOFKYAU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(C2CCC1(C(=O)C2)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 21
+77.0386	1926555	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.03387	466982
+79.04166	5408103
+80.06204	3028398	"Theoretical m/z 80.062052, Mass diff 0 (0.15 ppm), SMILES *C(*)C(C)(C)C(*)(*)C, Annotation [C6H14-6H]+, Rule of HR False"
+81.06988	15651765	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07323	1458468
+83.08552	1332498	"Theoretical m/z 83.085527, Mass diff 0 (0.08 ppm), SMILES *C(*)C(C)(C)C(*)(*)C, Annotation [C6H14-3H]+, Rule of HR True"
+91.05426	3096632	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05765	318273
+93.06992	9042472	"Theoretical m/z 93.069877, Mass diff 0 (0.46 ppm), SMILES *C1CCC(*)(*)C1(C)C, Annotation [C7H14-5H]+, Rule of HR True"
+94.07329	766166
+95.08552	31268822	"Theoretical m/z 95.085527, Mass diff 0 (0.07 ppm), SMILES *C1CCC(*)(*)C1(C)C, Annotation [C7H14-3H]+, Rule of HR True"
+96.08886	2387253
+105.06988	323777	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.08556	350302	"Theoretical m/z 107.085525, Mass diff 0 (0.33 ppm), SMILES *CC1CCC(*)(*)C1(C)C, Annotation [C8H16-5H]+, Rule of HR True"
+108.09333	14261850	"Theoretical m/z 108.09335, Mass diff 0 (0.18 ppm), SMILES *C1CCC(*)(C)C1(C)C, Annotation [C8H16-4H]+, Rule of HR False"
+109.10117	6993814	"Theoretical m/z 109.101175, Mass diff 0 (0.04 ppm), SMILES *C1CCC(*)(C)C1(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+110.10899	1180636
+137.09607	1382040	"Theoretical m/z 137.096088, Mass diff 0 (0.13 ppm), SMILES *C12C(=O)CC(CC1)C2(C)C, Annotation [C9H14O-H]+, Rule of HR True"
+152.11949	2934847	"Theoretical m/z 152.119569, Mass diff 0 (0.52 ppm), SMILES O=C1CC2CCC1(C)C2(C)C, Annotation [C10H16O]+, Rule of HR False"
+153.12285	328381
+
+NAME: Eucalyptol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1037.8
+PRECURSORMZ: 154.13515
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H18O
+INCHIKEY: WEEGYLXZBRQIMU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(C2CCC(O1)(CC2)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 33
+70.07324	365567
+71.04917	1280764	"Theoretical m/z 71.04969, Mass diff 0 (0 ppm), Formula C4H7O"
+77.03862	1679679	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.04168	5654658
+80.04501	735426
+81.0699	8028437	"Theoretical m/z 81.069878, Mass diff 0 (0.28 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07326	383786
+83.08554	1555164	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.09339	3649017	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+91.05428	2422047	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06207	452486	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06993	14282294	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.07328	1776853
+95.08556	2588909	"Theoretical m/z 95.085527, Mass diff 0 (0.35 ppm), SMILES *C1CCC(*)(C)CC1, Annotation [C7H14-3H]+, Rule of HR True"
+96.09336	2115295	"Theoretical m/z 96.093352, Mass diff 0 (0.09 ppm), SMILES *C1CCC(*)(C)CC1, Annotation [C7H14-2H]+, Rule of HR False"
+97.06484	181761	"Theoretical m/z 97.064789, Mass diff 0 (0.53 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+105.06992	293375	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07774	213256	"Theoretical m/z 106.07825, Mass diff 0 (0 ppm), Formula C8H10"
+107.08556	1504362	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+108.09336	4438212	"Theoretical m/z 108.0939, Mass diff 0 (0 ppm), Formula C8H12"
+109.09676	621510
+110.07263	259139	"Theoretical m/z 110.072613, Mass diff 0 (0.15 ppm), SMILES *C1CCC(*)(OC1(*)C)C, Annotation [C7H14O-4H]+, Rule of HR False"
+111.08046	5753359	"Theoretical m/z 111.080438, Mass diff 0 (0.2 ppm), SMILES *C1CCC(*)(OC1(*)C)C, Annotation [C7H14O-3H]+, Rule of HR True"
+112.08381	354631
+121.10119	1493782	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+125.09611	4671456	"Theoretical m/z 125.096094, Mass diff 0 (0.13 ppm), SMILES *C1CCC(*)(OC1(C)C)C, Annotation [C8H16O-3H]+, Rule of HR True"
+126.09946	437970
+136.1247	1488295
+137.12805	154333
+139.11172	11739227	"Theoretical m/z 139.111744, Mass diff 0 (0.17 ppm), SMILES *C1(OC2(C)CCC1CC2)C, Annotation [C9H16O-H]+, Rule of HR True"
+140.11508	1226432
+154.13515	1779026	"Theoretical m/z 154.135212, Mass diff 0 (0.4 ppm), SMILES *C(OC1(C)CC[CH]CC1)(C)C, Annotation [C10H19O-H]+, Rule of HR True"
+155.13838	186376
+
+NAME: Coumarin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1446.8
+PRECURSORMZ: 146.03621
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H6O2
+INCHIKEY: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C=CC(=O)O2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 10
+74.01514	418610	"Theoretical m/z 74.015103, Mass diff 0 (0.51 ppm), SMILES *C=1C=CC=CC1*, Annotation [C6H6-4H]+, Rule of HR False"
+86.01514	465083	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+89.0386	15246661	"Theoretical m/z 89.038575, Mass diff 0 (0.28 ppm), SMILES *C=1C=CC=CC1C(*)*, Annotation [C7H8-3H]+, Rule of HR True"
+90.04643	10795154	"Theoretical m/z 90.046401, Mass diff 0 (0.33 ppm), SMILES *C=1C=CC=CC1C(*)*, Annotation [C7H8-2H]+, Rule of HR False"
+91.0498	770538
+92.0257	437894	"Theoretical m/z 92.025664, Mass diff 0 (0.39 ppm), SMILES *OC=1C=CC=CC1*, Annotation [C6H6O-2H]+, Rule of HR False"
+118.04131	31307230	"Theoretical m/z 118.041319, Mass diff 0 (0.08 ppm), SMILES *OC=1C=CC=CC1C=C*, Annotation [C8H8O-2H]+, Rule of HR False"
+119.04467	2651082
+146.03621	18322200	"Theoretical m/z 146.036225, Mass diff 0 (0.1 ppm), SMILES O=C1OC=2C=CC=CC2C=C1, Annotation [C9H6O2]+, Rule of HR False"
+147.03954	1831139
+
+NAME: Limonene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1032.9
+PRECURSORMZ: 136.1247
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H16
+INCHIKEY: XMGQYMWWDOXHJM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CCC(CC1)C(=C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 24
+77.03864	8246790	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.03393	1764476
+79.0417	18816324
+80.04501	3673388
+81.06992	2135769	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.04918	311014
+89.03862	295801	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.0543	17995308	"Theoretical m/z 91.054229, Mass diff 0 (0.78 ppm), SMILES *C(*)=CCC(*)C(=C)C, Annotation [C7H12-5H]+, Rule of HR True"
+92.06211	10077935	"Theoretical m/z 92.062054, Mass diff 0 (0.61 ppm), SMILES *C(*)=CCC(*)C(=C)C, Annotation [C7H12-4H]+, Rule of HR False"
+93.06995	25567012	"Theoretical m/z 93.069879, Mass diff 0 (0.76 ppm), SMILES *C(*)=CCC(*)C(=C)C, Annotation [C7H12-3H]+, Rule of HR True"
+94.07774	13565374	"Theoretical m/z 94.077704, Mass diff 0 (0.38 ppm), SMILES *C1CC=C(C)CC1, Annotation [C7H12-2H]+, Rule of HR False"
+95.08557	3666852	"Theoretical m/z 95.085529, Mass diff 0 (0.43 ppm), SMILES *C1CC=C(C)CC1, Annotation [C7H12-H]+, Rule of HR True"
+97.06487	2255899
+103.0543	713222	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06997	3084284	"Theoretical m/z 105.069879, Mass diff 0 (0.87 ppm), SMILES *C1=CCC(C(*)=C)CC1, Annotation [C8H12-3H]+, Rule of HR True"
+106.07778	541803	"Theoretical m/z 106.077704, Mass diff 0 (0.72 ppm), SMILES *C1=CCC(C(*)=C)CC1, Annotation [C8H12-2H]+, Rule of HR False"
+107.08558	5924092	"Theoretical m/z 107.085529, Mass diff 0 (0.48 ppm), SMILES *C1=CCC(C(*)=C)CC1, Annotation [C8H12-H]+, Rule of HR True"
+108.09338	1115256	"Theoretical m/z 108.093354, Mass diff 0 (0.24 ppm), SMILES *C1=CCC(C(*)=C)CC1, Annotation [C8H12]+, Rule of HR False"
+111.0805	678866
+115.05427	507842	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.08559	537875	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.10121	6260196	"Theoretical m/z 121.101177, Mass diff 0 (0.27 ppm), SMILES *C1=CCC(C(=C)C)CC1, Annotation [C9H14-H]+, Rule of HR True"
+122.10454	589702
+136.1247	710005	"Theoretical m/z 136.12465, Mass diff 0 (0.37 ppm), SMILES C=C(C)C1CC=C(C)CC1, Annotation [C10H16]+, Rule of HR False"
+
+NAME: Isomethyl-alpha-ionone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1479.9
+PRECURSORMZ: 206.1664
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H22O
+INCHIKEY: JRJBVWJSTHECJK-LUAWRHEFSA-N
+INCHI: 
+SMILES: CC1=CCCC(C1/C=C(/C)\C(=O)C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 32
+77.03857	3850046	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.03384	729946
+79.05421	8470674	"Theoretical m/z 79.054229, Mass diff 0 (0.24 ppm), SMILES *CCC=C(C)C(*)*, Annotation [C6H12-5H]+, Rule of HR True"
+81.06988	868735	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+91.05421	19043572	"Theoretical m/z 91.054229, Mass diff 0 (0.21 ppm), SMILES *C=C(C)C(*)C=C(*)C, Annotation [C7H12-5H]+, Rule of HR True"
+92.05756	1536483
+93.06989	3205402	"Theoretical m/z 93.069879, Mass diff 0 (0.12 ppm), SMILES *C=C(C)C(*)C=C(*)C, Annotation [C7H12-3H]+, Rule of HR True"
+95.04913	1839285	"Theoretical m/z 95.049141, Mass diff 0 (-0.12 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+103.0542	810065	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06989	8443182	"Theoretical m/z 105.069877, Mass diff 0 (0.13 ppm), SMILES *C(=CC(*)C(=CC*)C)C, Annotation [C8H14-5H]+, Rule of HR True"
+106.0777	2014082	"Theoretical m/z 106.077702, Mass diff 0 (0.02 ppm), SMILES *C1=CCCC(C)(C)C1*, Annotation [C8H14-4H]+, Rule of HR False"
+107.08549	30161004	"Theoretical m/z 107.085527, Mass diff 0 (0.34 ppm), SMILES *C1=CCCC(C)(C)C1*, Annotation [C8H14-3H]+, Rule of HR True"
+108.08884	2350779
+109.06477	2749734	"Theoretical m/z 109.06479, Mass diff 0 (0.18 ppm), SMILES *C(=CC(*)C(*)(*)C)C(=O)C, Annotation [C7H12O-3H]+, Rule of HR True"
+115.05418	1704676	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06982	1817285	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.0855	1911833	"Theoretical m/z 119.085525, Mass diff 0 (0.21 ppm), SMILES *C(=CC(*)C(=CCC*)C)C, Annotation [C9H16-5H]+, Rule of HR True"
+121.10114	1447780	"Theoretical m/z 121.101175, Mass diff 0 (0.29 ppm), SMILES *C1=CCCC(C)(C)C1C(*)*, Annotation [C9H16-3H]+, Rule of HR True"
+122.07256	721029	"Theoretical m/z 122.072613, Mass diff 0 (0.43 ppm), SMILES *C(C=C(C(=O)C)C)C(*)(*)C, Annotation [C8H14O-4H]+, Rule of HR False"
+123.08036	8940262	"Theoretical m/z 123.080438, Mass diff 0 (0.63 ppm), SMILES *C(C=C(C(=O)C)C)C(*)(*)C, Annotation [C8H14O-3H]+, Rule of HR True"
+131.08553	618276	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+133.10115	785071	"Theoretical m/z 133.10118, Mass diff 0 (0.23 ppm), SMILES *C=C(C)C(C=C(*)C)C(*)(C)C, Annotation [C10H18-5H]+, Rule of HR True"
+134.10899	906243	"Theoretical m/z 134.109005, Mass diff 0 (0.11 ppm), SMILES *C=C(C)C(C=C(*)C)C(*)(C)C, Annotation [C10H18-4H]+, Rule of HR False"
+135.08035	59527064	"Theoretical m/z 135.080438, Mass diff 0 (0.65 ppm), SMILES *C=C(C)C(*)C=C(C(=O)C)C, Annotation [C9H14O-3H]+, Rule of HR True"
+136.08371	4431570
+145.10101	598275	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+149.09598	2037649	"Theoretical m/z 149.096094, Mass diff 0 (0.76 ppm), SMILES *CC=C(C)C(*)C=C(C(=O)C)C, Annotation [C10H16O-3H]+, Rule of HR True"
+150.10378	11015068
+151.10713	1217273
+163.14796	1078953	"Theoretical m/z 163.148121, Mass diff 0 (0.98 ppm), SMILES *C(=CC1C(=CCCC1(C)C)C)C, Annotation [C12H20-H]+, Rule of HR True"
+191.14285	5548008	"Theoretical m/z 191.143039, Mass diff 0 (0.99 ppm), SMILES *C(=CC1C(=CCCC1(C)C)C)C(=O)C, Annotation [C13H20O-H]+, Rule of HR True"
+206.1664	989715	"Theoretical m/z 206.16652, Mass diff 0 (0.58 ppm), SMILES O=C(C(=CC1C(=CCCC1(C)C)C)C)C, Annotation [C14H22O]+, Rule of HR False"
+
+NAME: delta-Iraldeine
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1500.3
+PRECURSORMZ: 205.15871
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H22O
+INCHIKEY: NSSHGPBKKVJJMM-PKNBQFBNSA-N
+INCHI: 
+SMILES: CC1=C(C(CCC1)(C)C)/C=C(\C)/C(=O)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 31
+77.03864	123835	"Theoretical m/z 77.038573, Mass diff 0 (0.87 ppm), SMILES *C(C=C(*)C)=C(*)C, Annotation [C6H10-5H]+, Rule of HR True"
+79.04169	106416
+91.0543	364610	"Theoretical m/z 91.054229, Mass diff 0 (0.78 ppm), SMILES *C(C=C(*)C)=C(C)C*, Annotation [C7H12-5H]+, Rule of HR True"
+93.06995	126107	"Theoretical m/z 93.069879, Mass diff 0 (0.76 ppm), SMILES *C(C=C(*)C)=C(C)C*, Annotation [C7H12-3H]+, Rule of HR True"
+95.08556	143747	"Theoretical m/z 95.085529, Mass diff 0 (0.33 ppm), SMILES *C(C=C(*)C)=C(C)C*, Annotation [C7H12-H]+, Rule of HR True"
+105.06995	286002	"Theoretical m/z 105.069877, Mass diff 0 (0.7 ppm), SMILES *C(C=C(*)C)=C(C)CC*, Annotation [C8H14-5H]+, Rule of HR True"
+107.08557	148811	"Theoretical m/z 107.085527, Mass diff 0 (0.4 ppm), SMILES *C1=C(*)C(C)(C)CCC1, Annotation [C8H14-3H]+, Rule of HR True"
+109.06485	99709	"Theoretical m/z 109.064792, Mass diff 0 (0.53 ppm), SMILES *C(C=C(*)C(=O)C)=C(*)C, Annotation [C7H10O-H]+, Rule of HR True"
+115.05428	93536	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06991	80321	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.08557	115312	"Theoretical m/z 119.085525, Mass diff 0 (0.38 ppm), SMILES *C(C=C(*)C)=C(C)CCC*, Annotation [C9H16-5H]+, Rule of HR True"
+121.06481	173327	"Theoretical m/z 121.06479, Mass diff 0 (0.16 ppm), SMILES *C(C=C(C(=O)C)C)=C(*)C, Annotation [C8H12O-3H]+, Rule of HR True"
+123.08044	176860	"Theoretical m/z 123.08044, Mass diff 0 (0 ppm), SMILES *C(C=C(C(=O)C)C)=C(*)C, Annotation [C8H12O-H]+, Rule of HR True"
+128.0495	42038
+131.0856	89075	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+133.10123	77309	"Theoretical m/z 133.10118, Mass diff 0 (0.37 ppm), SMILES *C(=CC(=C(C)C*)C(*)(C)C)C, Annotation [C10H18-5H]+, Rule of HR True"
+135.08048	193165	"Theoretical m/z 135.080438, Mass diff 0 (0.31 ppm), SMILES *C(C=C(C(=O)C)C)=C(C)C*, Annotation [C9H14O-3H]+, Rule of HR True"
+136.08829	172110	"Theoretical m/z 136.088263, Mass diff 0 (0.2 ppm), SMILES *C(C=C(C(=O)C)C)=C(C)C*, Annotation [C9H14O-2H]+, Rule of HR False"
+137.09613	46582	"Theoretical m/z 137.096088, Mass diff 0 (0.31 ppm), SMILES *C(C=C(C(=O)C)C)=C(C)C*, Annotation [C9H14O-H]+, Rule of HR True"
+145.10117	50225	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+147.11678	44906	"Theoretical m/z 147.11683, Mass diff 0 (0.34 ppm), SMILES *C(*)=CC1=C(C)CCCC1(C)C, Annotation [C11H18-3H]+, Rule of HR True"
+149.09608	272842	"Theoretical m/z 149.096094, Mass diff 0 (0.09 ppm), SMILES *C(C=C(C(=O)C)C)=C(C)CC*, Annotation [C10H16O-3H]+, Rule of HR True"
+150.10384	53626
+161.0961	207088	"Theoretical m/z 161.096099, Mass diff 0 (0.01 ppm), SMILES *C(=CC(=C(C)C*)C(*)(C)C)C(=O)C, Annotation [C11H18O-5H]+, Rule of HR True"
+163.11172	109517	"Theoretical m/z 163.111749, Mass diff 0 (0.18 ppm), SMILES *C(C=C(C(=O)C)C)=C(C)CCC*, Annotation [C11H18O-3H]+, Rule of HR True"
+173.1324	66078	"Theoretical m/z 173.133026, Mass diff 0 (0 ppm), Formula C13H17"
+175.11171	119212	"Theoretical m/z 175.111749, Mass diff 0 (0.22 ppm), SMILES *C(=O)C(*)=CC1=C(C)CCCC1(C)C, Annotation [C12H18O-3H]+, Rule of HR True"
+176.11955	472533	"Theoretical m/z 176.119574, Mass diff 0 (0.14 ppm), SMILES *C(=O)C(*)=CC1=C(C)CCCC1(C)C, Annotation [C12H18O-2H]+, Rule of HR False"
+177.12292	67456
+191.14296	4151788	"Theoretical m/z 191.143039, Mass diff 0 (0.42 ppm), SMILES *C(=CC1=C(C)CCCC1(C)C)C(=O)C, Annotation [C13H20O-H]+, Rule of HR True"
+192.14627	540478
+
+NAME: Safrole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1296
+PRECURSORMZ: 162.06741
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H10O2
+INCHIKEY: ZMQAAUBTXCXRIC-UHFFFAOYSA-N
+INCHI: 
+SMILES: C=CCC1=CC2=C(C=C1)OCO2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 28
+74.01514	526102	"Theoretical m/z 74.015103, Mass diff 0 (0.51 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02299	308879	"Theoretical m/z 75.022928, Mass diff 0 (0.83 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-3H]+, Rule of HR True"
+76.0308	989723	"Theoretical m/z 76.030753, Mass diff 0 (0.62 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.0386	9158841	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04645	8154514	"Theoretical m/z 78.046403, Mass diff 0 (0.61 ppm), SMILES *C1=CC=C(*)C(*)=C1, Annotation [C6H6]+, Rule of HR False"
+89.0386	903145	"Theoretical m/z 89.038575, Mass diff 0 (0.28 ppm), SMILES *C1=CC=C(C=C1*)C*, Annotation [C7H8-3H]+, Rule of HR True"
+91.05428	2724468	"Theoretical m/z 91.054226, Mass diff 0 (0.6 ppm), SMILES *C1=CC=C(C=C1*)C*, Annotation [C7H8-H]+, Rule of HR True"
+92.05759	409742
+95.04919	934322	"Theoretical m/z 95.049141, Mass diff 0 (0.52 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+102.04645	2343094	"Theoretical m/z 102.046398, Mass diff 0 (0.51 ppm), SMILES *C1=CC=C(C=C1*)CC(*)*, Annotation [C8H10-4H]+, Rule of HR False"
+103.05426	14206886	"Theoretical m/z 103.054223, Mass diff 0 (0.36 ppm), SMILES *C1=CC=C(C=C1*)CC(*)*, Annotation [C8H10-3H]+, Rule of HR True"
+104.06206	14034967	"Theoretical m/z 104.062048, Mass diff 0 (0.11 ppm), SMILES *C1=CC=C(C=C1*)CC(*)*, Annotation [C8H10-2H]+, Rule of HR False"
+105.06993	3057557	"Theoretical m/z 105.069873, Mass diff 0 (0.54 ppm), SMILES *C1=CC=C(C=C1*)CC(*)*, Annotation [C8H10-H]+, Rule of HR True"
+106.04137	358306	"Theoretical m/z 106.041319, Mass diff 0 (0.48 ppm), SMILES *OC1=CC(=CC=C1*)C*, Annotation [C7H8O-2H]+, Rule of HR False"
+115.05426	1486698	"Theoretical m/z 115.054223, Mass diff 0 (0.32 ppm), SMILES *C1=CC=C(C=C1*)CC=C, Annotation [C9H10-3H]+, Rule of HR True"
+116.06204	295222	"Theoretical m/z 116.062048, Mass diff 0 (0.07 ppm), SMILES *C1=CC=C(C=C1*)CC=C, Annotation [C9H10-2H]+, Rule of HR False"
+117.06986	283841	"Theoretical m/z 117.069873, Mass diff 0 (0.11 ppm), SMILES *C1=CC=C(C=C1*)CC=C, Annotation [C9H10-H]+, Rule of HR True"
+119.04919	735005	"Theoretical m/z 119.049142, Mass diff 0 (0.4 ppm), SMILES *C1=CC=C(C=C1OC*)C*, Annotation [C8H10O-3H]+, Rule of HR True"
+122.06817	322976
+131.04918	20943296	"Theoretical m/z 131.049142, Mass diff 0 (0.29 ppm), SMILES *OC1=CC(=CC=C1*)CC=C, Annotation [C9H10O-3H]+, Rule of HR True"
+132.05696	11329593	"Theoretical m/z 132.056967, Mass diff 0 (0.05 ppm), SMILES *OC1=CC(=CC=C1*)CC=C, Annotation [C9H10O-2H]+, Rule of HR False"
+133.06035	1845920
+134.03615	433967	"Theoretical m/z 134.036231, Mass diff 0 (0.6 ppm), SMILES *CC1=CC=C2OCOC2=C1, Annotation [C8H8O2-2H]+, Rule of HR False"
+135.04404	9596707	"Theoretical m/z 135.044056, Mass diff 0 (0.12 ppm), SMILES *CC1=CC=C2OCOC2=C1, Annotation [C8H8O2-H]+, Rule of HR True"
+136.04739	664289
+161.05968	9970785	"Theoretical m/z 161.060255, Mass diff 0 (0 ppm), Formula C10H9O2"
+162.06741	28190808	"Theoretical m/z 162.067536, Mass diff 0 (0.78 ppm), SMILES O1C2=CC=C(C=C2OC1)CC=C, Annotation [C10H10O2]+, Rule of HR False"
+163.07077	3067274
+
+NAME: Cashmeran
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1493.7
+PRECURSORMZ: 206.16634
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H22O
+INCHIKEY: MIZGSAALSYARKU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 65
+70.07769	170150	"Theoretical m/z 70.077704, Mass diff 0 (0.2 ppm), SMILES CCC(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+77.03856	1814540	"Theoretical m/z 77.038579, Mass diff 0 (0.24 ppm), SMILES C=C(C)C(C)C, Annotation [C6H12-7H]+, Rule of HR True"
+78.04641	413217	"Theoretical m/z 78.046404, Mass diff 0 (0.08 ppm), SMILES C=C(C)C(C)C, Annotation [C6H12-6H]+, Rule of HR False"
+79.05422	2463108	"Theoretical m/z 79.054229, Mass diff 0 (0.11 ppm), SMILES C=C(C)C(C)C, Annotation [C6H12-5H]+, Rule of HR True"
+80.05756	249871
+81.06988	663347	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.08551	238097	"Theoretical m/z 83.085529, Mass diff 0 (0.23 ppm), SMILES C=C(C)C(C)C, Annotation [C6H12-H]+, Rule of HR True"
+84.09337	225824	"Theoretical m/z 84.093354, Mass diff 0 (0.19 ppm), SMILES C=C(C)C(C)C, Annotation [C6H12]+, Rule of HR False"
+85.10115	161900	"Theoretical m/z 85.101179, Mass diff 0 (0.34 ppm), SMILES C=C(C)C(C)C, Annotation [C6H12+H]+, Rule of HR True"
+91.05421	7705850	"Theoretical m/z 91.054227, Mass diff 0 (0.18 ppm), SMILES C=C(CC)C(C)C, Annotation [C7H14-7H]+, Rule of HR True"
+92.06203	1968605	"Theoretical m/z 92.062052, Mass diff 0 (0.24 ppm), SMILES C=C(CC)C(C)C, Annotation [C7H14-6H]+, Rule of HR False"
+93.06989	2507284	"Theoretical m/z 93.069877, Mass diff 0 (0.14 ppm), SMILES C=C(CC)C(C)C, Annotation [C7H14-5H]+, Rule of HR True"
+94.04132	326314	"Theoretical m/z 94.041313, Mass diff 0 (0.07 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04913	199492	"Theoretical m/z 95.049141, Mass diff 0 (-0.12 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08551	937654	"Theoretical m/z 95.085525, Mass diff 0 (0.15 ppm), SMILES CC(C)CC(C)C, Annotation [C7H16-5H]+, Rule of HR True"
+103.05418	669563	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06202	179308	"Theoretical m/z 104.06205, Mass diff 0 (0.28 ppm), SMILES C=C(CCC)C(C)C, Annotation [C8H16-8H]+, Rule of HR False"
+105.06986	3613553	"Theoretical m/z 105.069875, Mass diff 0 (0.14 ppm), SMILES C=C(CCC)C(C)C, Annotation [C8H16-7H]+, Rule of HR True"
+106.0732	378333
+107.08548	6483648	"Theoretical m/z 107.085525, Mass diff 0 (0.42 ppm), SMILES C=C(CCC)C(C)C, Annotation [C8H16-5H]+, Rule of HR True"
+108.08884	651942
+109.10114	393313	"Theoretical m/z 109.101175, Mass diff 0 (0.32 ppm), SMILES C=C(CCC)C(C)C, Annotation [C8H16-3H]+, Rule of HR True"
+115.05418	1158181	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06197	294714	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06979	1187358	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.07759	164341
+119.08548	3174180	"Theoretical m/z 119.085525, Mass diff 0 (0.37 ppm), SMILES C1=CC(C)(C)CC1(C)C, Annotation [C9H16-5H]+, Rule of HR True"
+120.08889	528152
+121.06472	409900	"Theoretical m/z 121.06479, Mass diff 0 (0.58 ppm), SMILES O=C1C=C(CC)CCC1, Annotation [C8H12O-3H]+, Rule of HR True"
+121.10109	6190964	"Theoretical m/z 121.101175, Mass diff 0 (0.7 ppm), SMILES C1=CC(C)(C)CC1(C)C, Annotation [C9H16-3H]+, Rule of HR True"
+122.10445	722073
+123.11676	721114	"Theoretical m/z 123.116825, Mass diff 0 (0.53 ppm), SMILES C1=CC(C)(C)CC1(C)C, Annotation [C9H16-H]+, Rule of HR True"
+128.06195	428537	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06979	475669	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.08548	1541663	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+132.08893	221793
+133.1011	2382331	"Theoretical m/z 133.10118, Mass diff 0 (0.6 ppm), SMILES C1=C(C)C(C)(C)CC1(C)C, Annotation [C10H18-5H]+, Rule of HR True"
+134.1044	390642
+135.08037	4377674	"Theoretical m/z 135.080438, Mass diff 0 (0.5 ppm), SMILES O=C1C=C(CCC1)C(C)C, Annotation [C9H14O-3H]+, Rule of HR True"
+136.0881	605487	"Theoretical m/z 136.088263, Mass diff 0 (1.2 ppm), SMILES O=C1C=C(CCC1)C(C)C, Annotation [C9H14O-2H]+, Rule of HR False"
+143.08545	340766	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+145.10106	1379968	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+146.10443	204896
+147.08032	610711	"Theoretical m/z 147.080443, Mass diff 0 (0.84 ppm), SMILES O=C1C=C(CCC1)C(C)(C)C, Annotation [C10H16O-5H]+, Rule of HR True"
+147.11671	1546571	"Theoretical m/z 147.11682, Mass diff 0 (0.75 ppm), SMILES C1=C(CC)C(C)(C)CC1(C)C, Annotation [C11H20-5H]+, Rule of HR True"
+148.12001	258105
+149.09595	2865356	"Theoretical m/z 149.096094, Mass diff 0 (0.96 ppm), SMILES O=C1C=C(CCC1)C(C)(C)C, Annotation [C10H16O-3H]+, Rule of HR True"
+150.09921	564037
+158.10886	369370	"Theoretical m/z 158.10955, Mass diff 0 (0 ppm), Formula C12H14"
+159.11668	452141	"Theoretical m/z 159.117375, Mass diff 0 (0 ppm), Formula C12H15"
+161.09596	778786	"Theoretical m/z 161.096099, Mass diff 0 (0.86 ppm), SMILES O=CC1=C(C)C(C)(C)CC1(C)C, Annotation [C11H18O-5H]+, Rule of HR True"
+163.11159	11112222	"Theoretical m/z 163.111749, Mass diff 0 (0.97 ppm), SMILES O=C1C=C(CCC1)C(C)(C)CC, Annotation [C11H18O-3H]+, Rule of HR True"
+164.11935	2366166
+165.06966	168622	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+173.13232	3378604	"Theoretical m/z 173.133026, Mass diff 0 (0 ppm), Formula C13H17"
+174.13567	474777
+175.11157	288224	"Theoretical m/z 175.111749, Mass diff 0 (1.02 ppm), SMILES O=C1C2=C(CCC1)C(C)(C)CC2C, Annotation [C12H18O-3H]+, Rule of HR True"
+176.11932	621004	"Theoretical m/z 176.119564, Mass diff 0 (1.39 ppm), SMILES O=CC1=C(C)C(C)(C)C(C)C1(C)C, Annotation [C12H20O-4H]+, Rule of HR False"
+177.12717	1444692	"Theoretical m/z 177.127389, Mass diff 0 (1.24 ppm), SMILES O=CC1=C(C)C(C)(C)C(C)C1(C)C, Annotation [C12H20O-3H]+, Rule of HR True"
+178.13046	248007
+188.15579	251143	"Theoretical m/z 188.156501, Mass diff 0 (0 ppm), Formula C14H20"
+191.14282	15899966	"Theoretical m/z 191.143045, Mass diff 0 (1.18 ppm), SMILES O=CC1=C(CC)C(C)(C)C(C)C1(C)C, Annotation [C13H22O-3H]+, Rule of HR True"
+192.14613	2258648
+206.16634	8855552	"Theoretical m/z 206.16652, Mass diff 0 (0.87 ppm), SMILES O=C1C2=C(CCC1)C(C)(C)C(C)C2(C)C, Annotation [C14H22O]+, Rule of HR False"
+207.16969	1397502
+
+NAME: Celestolide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1696.1
+PRECURSORMZ: 244.181
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H24O
+INCHIKEY: IKTHMQYJOWTSJO-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 42
+77.03825	487857	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+89.0382	408829	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+92.04346	2593039
+93.05132	721312
+105.06944	463424	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+115.0537	2575111	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.06147	573321	"Theoretical m/z 116.0626, Mass diff 0.001 (0 ppm), Formula C9H8"
+117.06932	422612	"Theoretical m/z 117.070425, Mass diff 0.001 (0 ppm), Formula C9H9"
+127.05358	424168	"Theoretical m/z 127.054775, Mass diff 0.001 (0 ppm), Formula C10H7"
+128.06143	4033858	"Theoretical m/z 128.062044, Mass diff 0.001 (4.8 ppm), SMILES C1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14-6H]+, Rule of HR False"
+129.06923	2929392	"Theoretical m/z 129.069869, Mass diff 0.001 (4.95 ppm), SMILES C1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14-5H]+, Rule of HR True"
+130.0771	715921
+131.08493	4207516	"Theoretical m/z 131.085519, Mass diff 0.001 (4.49 ppm), SMILES C1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+132.08827	369849
+139.05356	404717	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+141.06921	2785824	"Theoretical m/z 141.070425, Mass diff 0.001 (0 ppm), Formula C11H9"
+142.07701	941978
+143.08485	1608290	"Theoretical m/z 143.085519, Mass diff 0.001 (4.68 ppm), SMILES C1=CC=C2C(=C1)CCC2(C)C, Annotation [C11H14-3H]+, Rule of HR True"
+145.10048	1209648	"Theoretical m/z 145.101169, Mass diff 0.001 (4.75 ppm), SMILES C1=CC=C2C(=C1)CCC2(C)C, Annotation [C11H14-H]+, Rule of HR True"
+152.06128	963460
+153.06911	1078484	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+154.07686	546139
+155.08473	1824512	"Theoretical m/z 155.086075, Mass diff 0.001 (0 ppm), Formula C12H11"
+156.09254	1000989
+157.10036	733773
+159.11603	558837
+165.06906	672748	"Theoretical m/z 165.070425, Mass diff 0.001 (0 ppm), Formula C13H9"
+169.10028	444928	"Theoretical m/z 169.101725, Mass diff 0.001 (0 ppm), Formula C13H13"
+171.11597	1266821	"Theoretical m/z 171.11682, Mass diff 0.001 (4.97 ppm), SMILES C1=CC(=CC(=C1)C(C)(C)C)C(C)C, Annotation [C13H20-5H]+, Rule of HR True"
+173.09522	14969032
+174.09854	1937450
+183.07951	456970	"Theoretical m/z 183.08099, Mass diff 0.001 (0 ppm), Formula C13H11O"
+185.09515	1292289
+186.09839	403025
+187.14717	1664976
+188.1185	500689
+201.12636	703110
+229.15759	32605792	"Theoretical m/z 229.158695, Mass diff 0.001 (4.82 ppm), SMILES O=CC=1C=C(C=C2C=1CCC2(C)C)C(C)(C)C, Annotation [C16H22O-H]+, Rule of HR True"
+230.16087	5736290
+231.16425	465113
+244.181	14749756	"Theoretical m/z 244.18216, Mass diff 0.001 (4.75 ppm), SMILES O=C(C=1C=C(C=C2C=1CCC2(C)C)C(C)(C)C)C, Annotation [C17H24O]+, Rule of HR False"
+245.1843	2726308
+
+NAME: Phantolide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1737.4
+PRECURSORMZ: 244.18102
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H24O
+INCHIKEY: VDBHOHJWUDKDRW-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 40
+77.03824	493780	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+85.1008	485174	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+105.06943	427565	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+115.05372	2553329	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.05708	461186
+117.06934	467016	"Theoretical m/z 117.070425, Mass diff 0.001 (0 ppm), Formula C9H9"
+128.06145	3449773	"Theoretical m/z 128.062044, Mass diff 0.001 (4.64 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-6H]+, Rule of HR False"
+129.06924	2017716	"Theoretical m/z 129.069869, Mass diff 0.001 (4.87 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-5H]+, Rule of HR True"
+130.07712	442873
+131.08496	2028725	"Theoretical m/z 131.085519, Mass diff 0.001 (4.27 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-3H]+, Rule of HR True"
+141.0692	4002902	"Theoretical m/z 141.070425, Mass diff 0.001 (0 ppm), Formula C11H9"
+142.07703	2241288
+143.08487	1778939	"Theoretical m/z 143.086075, Mass diff 0.001 (0 ppm), Formula C11H11"
+145.10046	4907542	"Theoretical m/z 145.101725, Mass diff 0.001 (0 ppm), Formula C11H13"
+146.10382	537103
+152.06128	1044922
+153.06911	1659380	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+154.0769	746722
+155.08473	2249678	"Theoretical m/z 155.086075, Mass diff 0.001 (0 ppm), Formula C12H11"
+156.09254	2443185
+157.10037	1574717
+159.11601	942428
+165.06908	507713	"Theoretical m/z 165.070425, Mass diff 0.001 (0 ppm), Formula C13H9"
+169.10034	646589	"Theoretical m/z 169.101725, Mass diff 0.001 (0 ppm), Formula C13H13"
+170.10811	1173260
+171.11592	2856790
+172.11928	467540
+173.09523	2638499	"Theoretical m/z 173.096094, Mass diff 0.001 (4.99 ppm), SMILES O=C(C1=CC=C(C=C1C)C(C)C)C, Annotation [C12H16O-3H]+, Rule of HR True"
+183.07959	466453	"Theoretical m/z 183.08099, Mass diff 0.001 (0 ppm), Formula C13H11O"
+185.13156	2708116	"Theoretical m/z 185.13247, Mass diff 0.001 (4.92 ppm), SMILES C1=CC2=C(C=C1C)C(C)(C)CC2(C)C, Annotation [C14H20-3H]+, Rule of HR True"
+186.13939	1443984
+187.14716	7484051
+188.1505	1086975
+199.1107	577317
+213.12642	599437	"Theoretical m/z 213.127389, Mass diff 0.001 (4.55 ppm), SMILES O=CC1=CC2=C(C=C1C)C(C)(C)CC2(C)C, Annotation [C15H20O-3H]+, Rule of HR True"
+229.15759	41551280	"Theoretical m/z 229.158695, Mass diff 0.001 (4.82 ppm), SMILES O=CC1=CC2=C(C=C1C)C(C)(C)C(C)C2(C)C, Annotation [C16H22O-H]+, Rule of HR True"
+230.16087	7240607
+231.16425	575325
+244.18102	5408562	"Theoretical m/z 244.18216, Mass diff 0.001 (4.67 ppm), SMILES O=C(C1=CC2=C(C=C1C)C(C)(C)C(C)C2(C)C)C, Annotation [C17H24O]+, Rule of HR False"
+245.18433	1000284
+
+NAME: Tonalide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1845.3
+PRECURSORMZ: 258.19778
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H26O
+INCHIKEY: DNRJTBAOUJJKDY-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 46
+77.03857	420414	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+85.10118	395621	"Theoretical m/z 85.101177, Mass diff 0 (0.04 ppm), SMILES CC(C)C(C)C, Annotation [C6H14-H]+, Rule of HR True"
+91.05425	4918840	"Theoretical m/z 91.054226, Mass diff 0 (0.27 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.06206	1582310	"Theoretical m/z 92.062051, Mass diff 0 (0.1 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8]+, Rule of HR False"
+105.06989	482246	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+115.05421	2090638	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06201	372945	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06985	496619	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+128.062	2960069	"Theoretical m/z 128.062044, Mass diff 0 (0.34 ppm), SMILES C=1C=C(C=CC=1C)C(C)C, Annotation [C10H14-6H]+, Rule of HR False"
+129.06982	1888530	"Theoretical m/z 129.069869, Mass diff 0 (0.38 ppm), SMILES C=1C=C(C=CC=1C)C(C)C, Annotation [C10H14-5H]+, Rule of HR True"
+130.07764	360786
+131.08551	1065711	"Theoretical m/z 131.085519, Mass diff 0 (0.07 ppm), SMILES C=1C=C(C=CC=1C)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+141.06981	2796885	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07768	2355920
+143.0855	1704029	"Theoretical m/z 143.085525, Mass diff 0 (0.17 ppm), SMILES C=1C=C(C=CC=1C)C(C)(C)C, Annotation [C11H16-5H]+, Rule of HR True"
+144.09329	469187	"Theoretical m/z 144.09335, Mass diff 0 (0.41 ppm), SMILES C=1C=C(C=CC=1C)C(C)(C)C, Annotation [C11H16-4H]+, Rule of HR False"
+145.1011	5173900	"Theoretical m/z 145.101175, Mass diff 0 (0.51 ppm), SMILES C=1C=C(C=CC=1C)C(C)(C)C, Annotation [C11H16-3H]+, Rule of HR True"
+146.10443	624470
+152.06195	925009
+153.06978	1559379	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07758	738617
+155.0854	1835349	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.09325	1367710
+157.10107	2631013	"Theoretical m/z 157.10118, Mass diff 0 (0.7 ppm), SMILES C1=CC(=CC(=C1)C(C)(C)CC)C, Annotation [C12H18-5H]+, Rule of HR True"
+158.10445	525997
+165.06979	611515	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+169.10107	781066	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+170.10881	840750
+171.11667	1310172	"Theoretical m/z 171.11682, Mass diff 0 (0.88 ppm), SMILES C1=CC(=CC(=C1)C(C)(C)C(C)C)C, Annotation [C13H20-5H]+, Rule of HR True"
+173.13232	941903	"Theoretical m/z 173.13247, Mass diff 0 (0.87 ppm), SMILES C1=CC(=CC(=C1)C(C)(C)C(C)C)C, Annotation [C13H20-3H]+, Rule of HR True"
+183.08034	482416	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+184.12456	571992
+185.09599	1303186	"Theoretical m/z 185.096099, Mass diff 0 (0.59 ppm), SMILES O=CC1=CC=C(C=C1C)C(C)(C)CC, Annotation [C13H18O-5H]+, Rule of HR True"
+187.1116	11073620	"Theoretical m/z 187.111749, Mass diff 0 (0.8 ppm), SMILES O=C(C1=CC(=CC=C1C)C(C)(C)C)C, Annotation [C13H18O-3H]+, Rule of HR True"
+188.11493	1494678
+199.14801	1287120	"Theoretical m/z 199.148126, Mass diff 0 (0.58 ppm), SMILES C1=CC2=C(C=C1C)C(C)(C)CCC2(C)C, Annotation [C15H22-3H]+, Rule of HR True"
+200.15587	455126
+201.12726	4964368	"Theoretical m/z 201.127389, Mass diff 0 (0.64 ppm), SMILES O=C(C1=CC=C(C=C1C)C(C)(C)CC)C, Annotation [C14H20O-3H]+, Rule of HR True"
+202.13057	763652
+213.12732	411656	"Theoretical m/z 213.127395, Mass diff 0 (0.35 ppm), SMILES O=CC1=CC(=C(C=C1C)C(C)C)C(C)(C)C, Annotation [C15H22O-5H]+, Rule of HR True"
+227.14296	466864	"Theoretical m/z 227.143045, Mass diff 0 (0.37 ppm), SMILES O=CC1=CC2=C(C=C1C)C(C)(C)CCC2(C)C, Annotation [C16H22O-3H]+, Rule of HR True"
+243.17429	34874372	"Theoretical m/z 243.174335, Mass diff 0 (0.19 ppm), SMILES O=CC1=CC2=C(C=C1C)C(C)(C)C(C)CC2(C)C, Annotation [C17H24O-H]+, Rule of HR True"
+244.17755	6246278
+245.18097	483762
+258.19778	5737726	"Theoretical m/z 258.197816, Mass diff 0 (0.14 ppm), SMILES O=C(C1=CC2=C(C=C1C)C(C)(C)C(C)CC2(C)C)C, Annotation [C18H26O]+, Rule of HR False"
+259.20117	1113655
+
+NAME: Traseolide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1831
+PRECURSORMZ: 217.14879
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H26O
+INCHIKEY: IMRYETFJNLKUHK-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 17
+115.05371	2203380	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+128.06145	3045262	"Theoretical m/z 128.062044, Mass diff 0.001 (4.64 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-6H]+, Rule of HR False"
+129.06924	2520206	"Theoretical m/z 129.069869, Mass diff 0.001 (4.87 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-5H]+, Rule of HR True"
+131.08495	2125707	"Theoretical m/z 131.085519, Mass diff 0.001 (4.34 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-3H]+, Rule of HR True"
+139.0536	296342	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+141.0692	3492021	"Theoretical m/z 141.070425, Mass diff 0.001 (0 ppm), Formula C11H9"
+142.07704	275760
+145.10049	909814	"Theoretical m/z 145.101175, Mass diff 0.001 (4.72 ppm), SMILES C=1C=C(C=CC=1C)CC(C)C, Annotation [C11H16-3H]+, Rule of HR True"
+159.11604	964889	"Theoretical m/z 159.11683, Mass diff 0.001 (4.97 ppm), SMILES C1=CC(=CC(=C1)C(C)(C)CC)C, Annotation [C12H18-3H]+, Rule of HR True"
+171.11592	5078112
+172.11926	1077045
+173.13158	4524123
+174.13495	658014
+185.13153	2645276
+215.142	17007714	"Theoretical m/z 215.143039, Mass diff 0.001 (4.83 ppm), SMILES O=C(C1=CC2=C(C=C1C)C(C)(C)C(C)C2)C, Annotation [C15H20O-H]+, Rule of HR True"
+216.14529	2692957
+217.14879	184345
+
+NAME: Galaxolide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1830.6
+PRECURSORMZ: 258.19662
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H26O
+INCHIKEY: ONKNPOPIGWHAQC-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 59
+76.03041	290565	"Theoretical m/z 76.030753, Mass diff 0 (4.51 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03823	396371	"Theoretical m/z 77.038578, Mass diff 0 (4.51 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+84.09302	248218	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.10081	266053	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+89.03819	493604	"Theoretical m/z 89.038575, Mass diff 0 (4.33 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+105.06942	312306	"Theoretical m/z 105.069873, Mass diff 0 (4.32 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+115.0537	2115083	"Theoretical m/z 115.054229, Mass diff 0.001 (4.6 ppm), SMILES C=1C=CC(=CC=1)C(C)C, Annotation [C9H12-5H]+, Rule of HR True"
+116.05705	390843
+117.0693	349352	"Theoretical m/z 117.069879, Mass diff 0.001 (4.94 ppm), SMILES C=1C=CC(=CC=1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+128.06143	2988800	"Theoretical m/z 128.062044, Mass diff 0.001 (4.8 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-6H]+, Rule of HR False"
+129.06924	2445327	"Theoretical m/z 129.069869, Mass diff 0.001 (4.87 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-5H]+, Rule of HR True"
+130.07269	396084
+131.08493	731799	"Theoretical m/z 131.085519, Mass diff 0.001 (4.49 ppm), SMILES C1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14-3H]+, Rule of HR True"
+139.05356	298525	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+141.06918	3364245	"Theoretical m/z 141.069875, Mass diff 0.001 (4.92 ppm), SMILES C=1C=C(C=CC=1CC)C(C)C, Annotation [C11H16-7H]+, Rule of HR True"
+142.07701	2469096
+143.08482	2934842	"Theoretical m/z 143.085525, Mass diff 0.001 (4.92 ppm), SMILES C=1C=C(C=CC=1CC)C(C)C, Annotation [C11H16-5H]+, Rule of HR True"
+144.08821	418408
+145.10046	878443	"Theoretical m/z 145.101175, Mass diff 0.001 (4.93 ppm), SMILES C=1C=C(C=CC=1CC)C(C)C, Annotation [C11H16-3H]+, Rule of HR True"
+152.06126	1051185
+153.06906	1985514	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+154.07687	1018495
+155.08472	2324340
+156.09256	1761996
+157.10034	3207379
+158.10374	562953
+159.116	931186
+165.06906	1250721	"Theoretical m/z 165.070425, Mass diff 0.001 (0 ppm), Formula C13H9"
+166.07684	448621	"Theoretical m/z 166.07825, Mass diff 0.001 (0 ppm), Formula C13H10"
+167.08466	929497	"Theoretical m/z 167.086075, Mass diff 0.001 (0 ppm), Formula C13H11"
+168.09241	757716
+169.10028	1900262
+170.10815	1219884
+171.11592	4946132
+172.11929	1033323
+173.13158	952902
+181.10024	319981	"Theoretical m/z 181.101725, Mass diff 0.001 (0 ppm), Formula C14H13"
+182.10808	259126
+183.11592	1778630	"Theoretical m/z 183.11682, Mass diff 0.001 (4.92 ppm), SMILES C1=CC2=C(C=C1C)C(C)C(C)C2(C)C, Annotation [C14H20-5H]+, Rule of HR True"
+184.12373	852251
+185.1315	2521546
+186.1394	673912
+187.11075	1394223
+188.11862	632415
+197.13152	648804	"Theoretical m/z 197.132476, Mass diff 0.001 (4.85 ppm), SMILES C1=CC2=C(C=C1C)C(C)(C)C(C)C2(C)C, Annotation [C15H22-5H]+, Rule of HR True"
+198.13925	1067441
+199.11075	764738	"Theoretical m/z 199.111739, Mass diff 0.001 (4.97 ppm), SMILES O2CC1=CC(=CC=C1CC2)C(C)(C)CC, Annotation [C14H20O-5H]+, Rule of HR True"
+201.12636	1092152
+213.16272	9485570	"Theoretical m/z 213.163773, Mass diff -0.001 (-4.94 ppm), SMILES CC1=C(C)C2=C([CH+]CCC=C(C)CC2)C=C1, Annotation [C16H21]+, Rule of HR True"
+214.16602	2064280
+225.16266	484718	"Theoretical m/z 225.163772, Mass diff 0.001 (4.94 ppm), SMILES C1=C(C(=CC2=C1C(C)(C)C(C)C2(C)C)CC)C, Annotation [C17H26-5H]+, Rule of HR True"
+227.14186	443196
+228.1862	630448
+243.17317	24290150	"Theoretical m/z 243.174335, Mass diff 0.001 (4.79 ppm), SMILES O2CC1=CC3=C(C=C1CC2)C(C)(C)C(C)C3(C)C, Annotation [C17H24O-H]+, Rule of HR True"
+244.17647	4434435
+245.17976	412224
+257.18899	284730	"Theoretical m/z 257.190002, Mass diff -0.001 (-3.94 ppm), SMILES CC12CCC3C(CCC4C=[C+]CCC34)C1CCC2=O, Annotation [C18H25O]+, Rule of HR True"
+258.19662	4498180	"Theoretical m/z 258.197816, Mass diff 0.001 (4.63 ppm), SMILES O2CC1=CC3=C(C=C1C(C)C2)C(C)(C)C(C)C3(C)C, Annotation [C18H26O]+, Rule of HR False"
+259.19992	886333
+
+NAME: Aldrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1940.1
+PRECURSORMZ: 332.89548
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H8Cl6
+INCHIKEY: QBYJBZPUGVGKQQ-SJJAEHHWSA-N
+INCHI: 
+SMILES: C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 166
+70.07742	177641
+71.08522	171676
+74.01479	85058	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02262	203477	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03825	454328	"Theoretical m/z 77.038579, Mass diff 0 (4.27 ppm), SMILES CC1CCCC1, Annotation [C6H12-7H]+, Rule of HR True"
+78.04609	82270	"Theoretical m/z 78.046404, Mass diff 0 (4.02 ppm), SMILES CC1CCCC1, Annotation [C6H12-6H]+, Rule of HR False"
+79.05389	1332865	"Theoretical m/z 79.054229, Mass diff 0 (4.29 ppm), SMILES CC1CCCC1, Annotation [C6H12-5H]+, Rule of HR True"
+80.05723	90682
+81.9232	75395
+82.94463	100370	"Theoretical m/z 82.94498, Mass diff 0 (4.22 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97584	97805
+84.09302	240250
+84.98364	124825	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.00697	200685	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.06445	134033
+85.1008	353565
+86.0147	160581	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02259	84084	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03818	106654	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+92.00302	82717
+93.0109	373415
+94.04094	92913
+95.97574	97011
+96.98356	212496	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.0147	240233
+99.02252	204843	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+99.11642	91227
+100.00705	117671
+101.01484	1145507	"Theoretical m/z 101.015803, Mass diff 0 (0 ppm), Formula C5H6Cl"
+102.004	80407
+102.04603	170496	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.01187	398164
+106.94453	205811	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.97568	131130
+108.94158	262666
+108.98352	123286	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.99133	416902
+110.49297	86543
+110.9898	310917
+113.01474	202503	"Theoretical m/z 113.015803, Mass diff 0.001 (0 ppm), Formula C6H6Cl"
+114.97176	128477
+115.05373	168487	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.90546	118881	"Theoretical m/z 116.906558, Mass diff 0.001 (0 ppm), Formula CCl3"
+118.90254	150427
+119.97556	116175
+120.98336	184345	"Theoretical m/z 120.984503, Mass diff 0.001 (0 ppm), Formula C7H2Cl"
+123.02232	112677	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+125.01475	158685	"Theoretical m/z 125.015803, Mass diff 0.001 (0 ppm), Formula C7H6Cl"
+126.04579	108477
+126.97172	127178
+127.97025	89063
+129.93668	81764
+130.9444	117497	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.93361	122411
+132.94145	165322
+134.97574	68735	"Theoretical m/z 134.976831, Mass diff 0.001 (0 ppm), Formula C5H5Cl2"
+136.97267	75498
+140.90526	208667	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+142.9024	264294
+144.94141	152810
+146.99881	98781	"Theoretical m/z 147.000153, Mass diff 0.001 (0 ppm), Formula C9H4Cl"
+149.0226	137127
+150.04568	351892
+151.05341	188058	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.06128	328214
+156.9597	102041	"Theoretical m/z 156.96118, Mass diff 0.001 (0 ppm), Formula C7H3Cl2"
+158.95673	98532
+160.00662	120409
+164.90518	73688	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.90225	152951
+168.9178	88418
+180.95978	84634	"Theoretical m/z 180.96118, Mass diff 0.001 (0 ppm), Formula C9H3Cl2"
+182.97549	135860	"Theoretical m/z 182.976831, Mass diff 0.001 (0 ppm), Formula C9H5Cl2"
+184.00647	117981
+184.97255	118804	"Theoretical m/z 184.969158, Mass diff -0.004 (0 ppm), Formula C6H8Cl3"
+186.02212	864875
+187.02991	258207	"Theoretical m/z 187.031453, Mass diff 0.001 (0 ppm), Formula C12H8Cl"
+188.0191	286420
+189.02702	68073
+190.92067	741218	"Theoretical m/z 190.922208, Mass diff 0.001 (0 ppm), Formula C7H2Cl3"
+191.92392	78734
+192.91771	767828	"Theoretical m/z 192.914536, Mass diff -0.004 (0 ppm), Formula C4H5Cl4"
+193.96761	179595
+194.91473	297216
+195.96464	140189
+200.88158	125181
+202.87868	183411
+204.8756	93896
+205.92554	73194
+206.97519	127597	"Theoretical m/z 206.976831, Mass diff 0.001 (0 ppm), Formula C11H5Cl2"
+208.92386	96879
+209.01076	148465
+213.88946	410739
+215.88652	550180
+216.93628	523654	"Theoretical m/z 216.937858, Mass diff 0.001 (0 ppm), Formula C9H4Cl3"
+217.88364	333074
+217.93962	73703
+218.93335	450634	"Theoretical m/z 218.930186, Mass diff -0.004 (0 ppm), Formula C6H7Cl4"
+219.98303	1206975
+220.93048	146093
+220.99112	770361	"Theoretical m/z 220.992481, Mass diff 0.001 (0 ppm), Formula C12H7Cl2"
+221.9801	960035
+222.98819	529350
+223.97717	240980
+224.88164	115385	"Theoretical m/z 224.883236, Mass diff 0.001 (0 ppm), Formula C7HCl4"
+224.98498	90942
+225.88951	208048
+226.89729	545647	"Theoretical m/z 226.898886, Mass diff 0.001 (0 ppm), Formula C7H3Cl4"
+227.88648	272590
+228.89436	582051
+229.88361	169820
+229.94408	374911
+230.89143	274213
+231.9411	216771
+233.93843	66312
+234.84258	283794	"Theoretical m/z 234.843713, Mass diff 0.001 (4.83 ppm), SMILES C1(=C(C(C(C1Cl)Cl)Cl)Cl)Cl, Annotation [C5H3Cl5-3H]+, Rule of HR True"
+236.83964	448307
+238.83667	298111
+240.834	94780
+242.95148	76664	"Theoretical m/z 242.953508, Mass diff 0.001 (0 ppm), Formula C11H6Cl3"
+247.85039	409588
+248.85869	168967
+249.84744	681279
+250.85564	485652
+251.84439	472079
+252.8942	432262
+253.84154	144277
+254.89146	199070
+254.95183	1697762	"Theoretical m/z 254.953508, Mass diff 0.001 (0 ppm), Formula C12H6Cl3"
+255.96024	890171
+256.94888	1679928
+257.95718	855043
+258.94598	659103
+259.95432	263760
+260.85821	4068463	"Theoretical m/z 260.859369, Mass diff 0.001 (4.44 ppm), SMILES C1(=C(C2(CCC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C7H5Cl5-3H]+, Rule of HR True"
+260.96179	94404
+261.8613	333687
+262.85522	6608206	"Theoretical m/z 262.852241, Mass diff -0.004 (0 ppm), Formula C4H5Cl6"
+263.85828	618644
+264.85223	4209659
+264.91296	137618	"Theoretical m/z 264.914536, Mass diff 0.001 (0 ppm), Formula C10H5Cl4"
+265.85513	471082
+266.8493	1346223
+266.91003	184949	"Theoretical m/z 266.906864, Mass diff -0.004 (0 ppm), Formula C7H8Cl5"
+267.85226	171243
+268.8464	291628
+268.90683	84589
+290.92831	1584173	"Theoretical m/z 290.929651, Mass diff 0.001 (4.61 ppm), SMILES C1=CC2CC1C4C2C3(C(=C(C4(C3)Cl)Cl)Cl)Cl, Annotation [C12H10Cl4-3H]+, Rule of HR True"
+291.93109	220839
+292.92538	2006302
+293.92828	256630
+294.9223	987112
+295.82669	675509
+295.92493	123355
+296.91931	213076
+297.82376	1309095
+298.82684	103267
+299.82083	1044695
+300.82407	74824
+301.81787	447496
+303.81479	102898
+326.90485	178886	"Theoretical m/z 326.90633, Mass diff 0.001 (4.53 ppm), SMILES C1=CC2CC1C3C2C4(C(=C(C3(C4Cl)Cl)Cl)Cl)Cl, Annotation [C12H9Cl5-H]+, Rule of HR True"
+327.89389	82640
+328.90173	264404
+329.89066	77595
+330.89865	182364
+
+NAME: Endosulfan
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2024.5
+PRECURSORMZ: 403.03317
+PRECURSORTYPE: [M+H]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H6Cl6O3S
+INCHIKEY: RDYMFSUJUZBWLH-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 156
+70.07768	26184
+71.08549	20542
+72.08884	4194
+72.98387	4399	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01507	13354	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02289	9178	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+78.99445	25328	"Theoretical m/z 78.995067, Mass diff 0 (0 ppm), Formula C2H4ClO"
+79.05421	19851	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+79.92557	7567
+80.06199	3147
+80.91573	5573
+81.0335	3089	"Theoretical m/z 81.03404, Mass diff 0 (0 ppm), Formula C5H5O"
+81.06987	10217
+81.92354	4810
+82.94495	4517	"Theoretical m/z 82.94498, Mass diff 0 (0.36 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97614	17336
+84.09335	30306
+84.98396	28313	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.0648	24874
+86.01504	12306	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.10445	3098
+87.02287	3994	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03853	5074	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+93.94122	6032
+94.93138	8337
+95.04909	4736	"Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O"
+96.98399	14255	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.06479	10442
+97.10117	9040
+98.01516	21028
+98.07259	23310
+98.10896	28660
+99.04409	27534	"Theoretical m/z 99.044604, Mass diff 0 (0 ppm), Formula C5H7O2"
+99.11678	44396
+101.96442	43285
+102.96296	41084	"Theoretical m/z 102.962053, Mass diff -0.001 (0 ppm), Formula H4ClO2S"
+103.96147	9445
+106.94494	15312	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.97611	16364
+108.05688	3578
+108.96059	9966	"Theoretical m/z 108.96118, Mass diff 0 (0 ppm), Formula C3H3Cl2"
+109.10111	3592
+110.10889	6199
+110.95764	28209
+111.11676	4227
+116.90591	20174	"Theoretical m/z 116.906558, Mass diff 0 (0 ppm), Formula CCl3"
+117.9368	3297
+118.90298	36211
+119.94345	13244
+120.94188	8525
+120.96057	12350	"Theoretical m/z 120.96118, Mass diff 0 (0 ppm), Formula C4H3Cl2"
+121.02833	8146	"Theoretical m/z 121.028954, Mass diff 0 (0 ppm), Formula C7H5O2"
+121.06467	20254
+122.94395	6347	"Theoretical m/z 122.943816, Mass diff -0.001 (0 ppm), Formula H5Cl2OS"
+122.9575	6644
+122.99941	8148	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+125.13237	3586
+128.06195	9935
+128.15581	4570
+129.01	3724	"Theoretical m/z 129.010717, Mass diff 0 (0 ppm), Formula C6H6ClO"
+129.06976	4296
+129.93707	12954
+130.99141	8499	"Theoretical m/z 130.989982, Mass diff -0.002 (0 ppm), Formula C5H4ClO2"
+131.08543	8274
+132.9839	25857	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.99162	8523
+134.99947	9486	"Theoretical m/z 135.000153, Mass diff 0 (0 ppm), Formula C8H4Cl"
+135.08034	7112
+136.00737	17617
+138.00453	2819
+140.90581	26526	"Theoretical m/z 140.906558, Mass diff 0 (0 ppm), Formula C3Cl3"
+142.90298	32116
+151.02394	6760	"Theoretical m/z 151.021761, Mass diff -0.003 (0 ppm), Formula C8H7OS"
+152.06186	4226
+156.9605	11736	"Theoretical m/z 156.96118, Mass diff 0 (0 ppm), Formula C7H3Cl2"
+158.95752	3667
+163.05402	5679
+164.90587	15544	"Theoretical m/z 164.906558, Mass diff 0 (0 ppm), Formula C5Cl3"
+165.06969	10273
+166.90289	15678
+168.96036	8626	"Theoretical m/z 168.96118, Mass diff 0 (0 ppm), Formula C8H3Cl2"
+169.06442	2750
+169.96822	94360
+170.97595	16993	"Theoretical m/z 170.976831, Mass diff 0 (0 ppm), Formula C8H5Cl2"
+171.96532	62742	"Theoretical m/z 171.9619, Mass diff -0.004 (0 ppm), Formula C9O2S"
+173.94957	7229
+174.96368	8681	"Theoretical m/z 174.962053, Mass diff -0.002 (0 ppm), Formula C6H4ClO2S"
+179.92918	4739
+190.92145	17779	"Theoretical m/z 190.922208, Mass diff 0 (0 ppm), Formula C7H2Cl3"
+192.93703	72804	"Theoretical m/z 192.937858, Mass diff 0 (0 ppm), Formula C7H4Cl3"
+194.93414	54582	"Theoretical m/z 194.930753, Mass diff -0.004 (0 ppm), Formula C8ClO2S"
+196.97501	13413	"Theoretical m/z 196.977224, Mass diff 0.002 (0 ppm), Formula C6H7Cl2O3"
+200.88258	12945	"Theoretical m/z 200.88269, Mass diff 0 (0.55 ppm), SMILES C1CC(C(C1Cl)(Cl)Cl)Cl, Annotation [C5H6Cl4-5H]+, Rule of HR True"
+202.87956	20250
+203.92929	91395
+204.8765	7690	"Theoretical m/z 204.87815, Mass diff 0.001 (0 ppm), Formula C4HCl4O"
+204.93721	77105	"Theoretical m/z 204.937858, Mass diff 0 (0 ppm), Formula C8H4Cl3"
+205.92642	95919
+206.93416	78660	"Theoretical m/z 206.938252, Mass diff 0.004 (0 ppm), Formula C4H6Cl3O3"
+207.03215	3252
+207.92339	41952
+208.03172	2662
+208.93127	22810
+213.89038	4764
+215.90591	3835
+226.89813	7911	"Theoretical m/z 226.898335, Mass diff 0 (0.9 ppm), SMILES CC1C(C)C(C(C1Cl)(Cl)Cl)Cl, Annotation [C7H10Cl4-7H]+, Rule of HR True"
+228.89549	7592	"Theoretical m/z 228.89928, Mass diff 0.003 (0 ppm), Formula C3H5Cl4O3"
+229.00113	4334
+234.84352	111863	"Theoretical m/z 234.843713, Mass diff 0 (0.82 ppm), SMILES C1(=C(C(C(C1Cl)Cl)Cl)Cl)Cl, Annotation [C5H3Cl5-3H]+, Rule of HR True"
+235.852	4576
+236.84052	180890
+237.84834	12470
+238.8376	124358	"Theoretical m/z 238.839178, Mass diff 0.001 (0 ppm), Formula C4Cl5O"
+238.8981	180260	"Theoretical m/z 238.898886, Mass diff 0 (0 ppm), Formula C8H3Cl4"
+239.90665	47507
+240.83458	40326
+240.89517	265856	"Theoretical m/z 240.89928, Mass diff 0.004 (0 ppm), Formula C4H5Cl4O3"
+241.90362	56950
+242.83218	3872
+242.8922	155702	"Theoretical m/z 242.893254, Mass diff 0.001 (4.34 ppm), SMILES OCC1C(C)C(C(C1Cl)(Cl)Cl)Cl, Annotation [C7H10Cl4O-7H]+, Rule of HR True"
+243.90076	26569
+244.90805	53944	"Theoretical m/z 244.908904, Mass diff 0.001 (3.49 ppm), SMILES OCC1C(C)C(C(C1Cl)(Cl)Cl)Cl, Annotation [C7H10Cl4O-5H]+, Rule of HR True"
+245.89642	3576
+247.85112	5232
+249.86223	16979
+251.85994	8553
+260.85922	53653	"Theoretical m/z 260.859369, Mass diff 0 (0.57 ppm), SMILES C1(=C(C2(CCC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C7H5Cl5-3H]+, Rule of HR True"
+262.85629	76588	"Theoretical m/z 262.860307, Mass diff 0.003 (0 ppm), Formula C3H4Cl5O3"
+264.85327	51059	"Theoretical m/z 264.854828, Mass diff 0.001 (0 ppm), Formula C6H2Cl5O"
+266.85037	11536
+269.81244	86633
+270.90582	17078
+271.80948	169342
+272.81317	5699
+272.90292	3662
+273.80649	143601
+274.80975	3715
+274.87488	106368	"Theoretical m/z 274.875024, Mass diff 0 (0.52 ppm), SMILES C1(=C(C2(C(C)CC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C8H7Cl5-3H]+, Rule of HR True"
+275.8035	62474
+275.86432	9114
+276.87183	164203	"Theoretical m/z 276.875957, Mass diff 0.004 (0 ppm), Formula C4H6Cl5O3"
+277.80054	13272
+277.87521	14314
+278.8689	101744	"Theoretical m/z 278.869933, Mass diff 0.001 (3.7 ppm), SMILES OCC1CC(CCl)(C(C1Cl)(Cl)Cl)Cl, Annotation [C7H9Cl5O-5H]+, Rule of HR True"
+279.87259	5643
+280.866	35280	"Theoretical m/z 280.863373, Mass diff -0.003 (0 ppm), Formula C8Cl3O3S"
+284.02969	2774
+304.88538	71204	"Theoretical m/z 304.885583, Mass diff 0 (0.67 ppm), SMILES OCC1C(C)C2(C(=C(C1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C9H9Cl5O-3H]+, Rule of HR True"
+306.88226	106729
+307.88522	6426
+308.87933	68975	"Theoretical m/z 308.880492, Mass diff 0.001 (3.76 ppm), SMILES OCC1C(CO)C(CCl)(C(C1Cl)(Cl)Cl)Cl, Annotation [C8H11Cl5O2-5H]+, Rule of HR True"
+310.8764	23617
+339.85382	22275
+341.85101	45438
+343.84787	41651
+345.84497	13400
+
+NAME: Heptachlor
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1871.1
+PRECURSORMZ: 373.8128
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H5Cl7
+INCHIKEY: FRCCEHPWNOQAEU-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 135
+70.07739	263476
+71.0852	193256
+72.98362	72080	"Theoretical m/z 72.983957, Mass diff 0 (4.61 ppm), SMILES C=CCCl, Annotation [C3H5Cl-3H]+, Rule of HR True"
+81.92321	71778
+82.94462	81505	"Theoretical m/z 82.94498, Mass diff 0 (4.34 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97578	111020
+84.09301	284248
+84.94167	147823
+85.00693	217062	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.06442	137723
+85.10078	692039
+86.01469	109288	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+94.9679	79974	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.97573	96559
+96.98355	421688	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.98206	403895
+98.0147	170956
+98.10859	95835
+98.99918	516011	"Theoretical m/z 98.999605, Mass diff 0 (4.29 ppm), SMILES C1=CC(CC1)Cl, Annotation [C5H7Cl-3H]+, Rule of HR True"
+99.11639	106698
+100.00696	3857399
+101.01036	290316
+102.00404	1243074
+103.00742	134790
+103.05375	138697
+106.94449	82882	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.97556	144783
+108.98348	157926	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+113.96394	191212
+114.96245	406553
+115.97033	231577
+116.90541	219326	"Theoretical m/z 116.906558, Mass diff 0.001 (0 ppm), Formula CCl3"
+118.90249	342301
+119.94297	215718
+120.89951	179778
+120.94141	118814
+122.01454	101573
+123.02228	166384	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+124.03011	106500
+125.038	82117	"Theoretical m/z 125.039125, Mass diff 0.001 (0 ppm), Formula C10H5"
+129.93658	149810
+130.9444	69415	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.95219	504321
+131.97552	67955
+132.9507	593791
+132.98335	87135	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.45229	68627
+133.94926	392270
+134.97563	664421	"Theoretical m/z 134.976831, Mass diff 0.001 (0 ppm), Formula C5H5Cl2"
+135.9649	172069
+136.97267	372132
+140.90529	289623	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+142.90234	300183
+144.89934	114427
+157.99094	73718
+158.9988	150127	"Theoretical m/z 159.000153, Mass diff 0.001 (0 ppm), Formula C10H4Cl"
+160.00658	528204
+161.00993	87460
+162.00366	158231
+164.90501	151355	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.90212	185756	"Theoretical m/z 166.898886, Mass diff -0.004 (0 ppm), Formula C2H3Cl4"
+168.93639	237290	"Theoretical m/z 168.937858, Mass diff 0.001 (0 ppm), Formula C5H4Cl3"
+169.96744	65713
+170.93341	143150
+182.97536	125311	"Theoretical m/z 182.976831, Mass diff 0.001 (0 ppm), Formula C9H5Cl2"
+184.97235	75388
+192.9176	96634	"Theoretical m/z 192.914536, Mass diff -0.004 (0 ppm), Formula C4H5Cl4"
+193.96744	607111
+194.97533	186017	"Theoretical m/z 194.976831, Mass diff 0.001 (0 ppm), Formula C10H5Cl2"
+195.96448	417843
+196.97238	85367
+197.96141	70852
+200.88174	101981	"Theoretical m/z 200.88269, Mass diff 0.001 (4.73 ppm), SMILES C1CC(C(C1Cl)(Cl)Cl)Cl, Annotation [C5H6Cl4-5H]+, Rule of HR True"
+202.87875	154799
+203.92844	120526
+204.87567	97407
+205.92551	119332
+216.93623	230694	"Theoretical m/z 216.937858, Mass diff 0.001 (0 ppm), Formula C9H4Cl3"
+218.93327	230036
+222.98146	84457
+227.92845	121342
+228.93628	101263
+229.94403	950855
+230.93352	175994
+231.94107	859297
+232.94418	122255
+233.93808	266484
+234.84256	1778175	"Theoretical m/z 234.843713, Mass diff 0.001 (4.91 ppm), SMILES C1(=C(C(C(C1Cl)Cl)Cl)Cl)Cl, Annotation [C5H3Cl5-3H]+, Rule of HR True"
+235.85074	600006
+236.83958	2976981
+237.8477	1044661
+238.83659	1961412
+239.8447	690212
+240.8336	700361
+240.89403	87822	"Theoretical m/z 240.891214, Mass diff -0.003 (0 ppm), Formula C5H6Cl5"
+241.84187	238663
+242.83076	115939
+250.89732	99707	"Theoretical m/z 250.898886, Mass diff 0.001 (0 ppm), Formula C9H3Cl4"
+252.89415	129094
+254.89151	67022
+263.90497	933872
+264.91269	246171
+265.90201	1205287
+266.90973	267821
+267.89905	615887
+268.90793	141431
+269.81137	3275228
+269.89624	124295
+270.81467	171862
+271.80835	6382147
+272.81162	335156
+273.80539	5028100
+274.8085	257477
+275.80234	2098279
+276.80557	108965
+277.79944	503315
+298.87351	251577
+299.88162	134566
+300.87057	400256
+301.87897	175869
+302.86762	277915
+303.87573	119276
+304.86462	76296
+334.84998	595616
+335.85358	66965
+336.84702	1145708
+337.85034	114240
+338.84393	892205
+339.84705	98616
+340.84097	397252
+342.83758	90355
+369.81882	89592	"Theoretical m/z 369.820557, Mass diff 0.002 (4.7 ppm), SMILES C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C10H5Cl7]+, Rule of HR False"
+371.8157	207108
+373.8128	185914
+375.80978	111903
+
+NAME: cis-Heptachlor epoxide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2026.1
+PRECURSORMZ: 389.80774
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H5Cl7O
+INCHIKEY: ZXFXBSWRVIQKOD-UHFFFAOYSA-N
+INCHI: 
+SMILES: C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 193
+70.07742	279853
+71.08523	177786
+72.98366	91164	"Theoretical m/z 72.983954, Mass diff 0 (4.03 ppm), SMILES CCCCl, Annotation [C3H7Cl-5H]+, Rule of HR True"
+74.01477	63609	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+74.99928	66745	"Theoretical m/z 74.999605, Mass diff 0 (4.33 ppm), SMILES CCCCl, Annotation [C3H7Cl-3H]+, Rule of HR True"
+81.03317	2056382	"Theoretical m/z 81.033494, Mass diff 0 (4 ppm), SMILES O1C2CCCC12, Annotation [C5H8O-3H]+, Rule of HR True"
+81.9232	60463
+82.0365	142280
+82.94463	218478	"Theoretical m/z 82.94498, Mass diff 0 (4.22 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97582	111557
+84.09302	319740
+84.9417	323459
+85.00694	178886	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.1008	619563
+86.01472	156325	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.99924	590087	"Theoretical m/z 87.000153, Mass diff 0 (0 ppm), Formula C4H4Cl"
+88.99629	214714
+89.03818	221054	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+94.96796	82649	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.97575	124585
+96.98356	237685	"Theoretical m/z 96.983952, Mass diff 0 (4.04 ppm), SMILES C1CCC(C1)Cl, Annotation [C5H9Cl-7H]+, Rule of HR True"
+98.01468	137643
+98.98055	128989
+99.11639	83121
+106.94454	234406	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.97562	146974
+108.46789	101152
+108.94151	347675
+108.98347	197476	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+109.46639	117550
+110.0146	96458
+110.95725	101179
+111.02242	153230	"Theoretical m/z 111.023475, Mass diff 0.001 (0 ppm), Formula C9H3"
+114.994	602328	"Theoretical m/z 114.994516, Mass diff 0.001 (4.49 ppm), SMILES O1C2CCC(C12)Cl, Annotation [C5H7ClO-3H]+, Rule of HR True"
+116.90544	238676	"Theoretical m/z 116.906558, Mass diff 0.001 (0 ppm), Formula CCl3"
+116.991	191103
+118.90252	279382
+119.9755	154752
+120.89951	92731	"Theoretical m/z 120.901473, Mass diff 0.001 (0 ppm), Formula Cl3O"
+120.98341	245802	"Theoretical m/z 120.984503, Mass diff 0.001 (0 ppm), Formula C7H2Cl"
+121.9726	73381
+122.9757	529330	"Theoretical m/z 122.976831, Mass diff 0.001 (0 ppm), Formula C4H5Cl2"
+124.97279	290566
+126.44679	75065
+129.93657	143750
+130.94437	136183	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.93372	129834
+132.94136	210304
+140.90532	367870	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+142.90237	417064
+144.8994	206725	"Theoretical m/z 144.901473, Mass diff 0.002 (0 ppm), Formula C2Cl3O"
+144.9413	82149
+146.99889	314763	"Theoretical m/z 147.000153, Mass diff 0.001 (0 ppm), Formula C9H4Cl"
+148.00662	75598
+148.99585	121815
+149.02258	115737
+150.97046	293979	"Theoretical m/z 150.971745, Mass diff 0.001 (0 ppm), Formula C5H5Cl2O"
+152.96742	178149
+154.94403	85082	"Theoretical m/z 154.94553, Mass diff 0.001 (0 ppm), Formula C7HCl2"
+156.95982	167329	"Theoretical m/z 156.96118, Mass diff 0.001 (0 ppm), Formula C7H3Cl2"
+158.95694	96594
+164.90511	158565	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.90218	259666	"Theoretical m/z 166.898886, Mass diff -0.004 (0 ppm), Formula C2H3Cl4"
+168.91783	161890
+169.96773	97224
+180.95962	234476	"Theoretical m/z 180.96118, Mass diff 0.001 (0 ppm), Formula C9H3Cl2"
+181.96747	252647
+182.91571	336264	"Theoretical m/z 182.917123, Mass diff 0.001 (0 ppm), Formula C5H2Cl3O"
+182.97533	614913	"Theoretical m/z 182.976831, Mass diff 0.001 (0 ppm), Formula C9H5Cl2"
+183.96463	171182
+184.91274	415098
+184.97237	229749
+186.90973	106617
+190.92062	411414	"Theoretical m/z 190.922208, Mass diff 0.001 (0 ppm), Formula C7H2Cl3"
+192.91776	418680	"Theoretical m/z 192.914536, Mass diff -0.004 (0 ppm), Formula C4H5Cl4"
+193.92117	61139
+194.91476	144873	"Theoretical m/z 194.917123, Mass diff 0.002 (0 ppm), Formula C6H2Cl3O"
+200.88164	141747
+202.87884	200874
+203.92853	278670
+204.87598	175628	"Theoretical m/z 204.87815, Mass diff 0.002 (0 ppm), Formula C4HCl4O"
+204.9364	78856	"Theoretical m/z 204.937858, Mass diff 0.001 (0 ppm), Formula C8H4Cl3"
+205.92555	251357
+206.93349	83247
+207.92271	79521
+213.88948	164928
+214.92056	83591	"Theoretical m/z 214.922208, Mass diff 0.001 (0 ppm), Formula C9H2Cl3"
+215.88655	324863
+216.93631	1078112	"Theoretical m/z 216.937858, Mass diff 0.001 (0 ppm), Formula C9H4Cl3"
+217.92563	317325
+218.93332	962800
+219.92313	222403
+220.93047	296279	"Theoretical m/z 220.932773, Mass diff 0.002 (0 ppm), Formula C8H4Cl3O"
+221.9202	103165
+224.88164	74894	"Theoretical m/z 224.883236, Mass diff 0.001 (0 ppm), Formula C7HCl4"
+225.88953	96617
+226.89734	256181	"Theoretical m/z 226.898886, Mass diff 0.001 (0 ppm), Formula C7H3Cl4"
+227.88657	137554
+228.89438	215973
+229.88385	71980
+230.89163	89757	"Theoretical m/z 230.8938, Mass diff 0.002 (0 ppm), Formula C6H3Cl4O"
+232.93109	88551	"Theoretical m/z 232.932773, Mass diff 0.001 (0 ppm), Formula C9H4Cl3O"
+234.84262	1090444	"Theoretical m/z 234.843713, Mass diff 0.001 (4.65 ppm), SMILES C1(=C(C(C(C1Cl)Cl)Cl)Cl)Cl, Annotation [C5H3Cl5-3H]+, Rule of HR True"
+234.92798	71101
+235.85149	105721
+236.83963	1781298
+237.8894	297193
+238.83666	1156654	"Theoretical m/z 238.839178, Mass diff 0.002 (0 ppm), Formula C4Cl5O"
+238.89738	146045
+239.88648	267444
+240.83366	377044
+240.89432	199705
+241.88348	113660
+242.83086	63311
+242.89127	104712
+244.93091	96156	"Theoretical m/z 244.932773, Mass diff 0.001 (0 ppm), Formula C10H4Cl3O"
+245.93896	120709
+246.92801	78410
+247.85037	106597
+247.9361	85464
+248.85831	101916
+249.84741	182838
+250.89717	1053153	"Theoretical m/z 250.898886, Mass diff 0.001 (0 ppm), Formula C9H3Cl4"
+251.84445	135972
+251.90584	403706
+252.89421	1374350
+253.84157	58378
+253.90283	369965
+254.89142	823106
+255.90002	170015
+256.88879	320936	"Theoretical m/z 256.886128, Mass diff -0.003 (0 ppm), Formula C5H6Cl5O"
+258.88605	95159
+260.85821	1332792	"Theoretical m/z 260.859369, Mass diff 0.001 (4.44 ppm), SMILES C1(=C(C2(CCC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C7H5Cl5-3H]+, Rule of HR True"
+261.86151	85834
+262.85522	2173622	"Theoretical m/z 262.852241, Mass diff -0.004 (0 ppm), Formula C4H5Cl6"
+263.85837	151115
+264.8523	1388188	"Theoretical m/z 264.854828, Mass diff 0.002 (0 ppm), Formula C6H2Cl5O"
+265.85553	100973
+266.8493	483580
+268.84647	107291
+269.81137	338715
+271.80844	633755
+272.85821	124209	"Theoretical m/z 272.85938, Mass diff 0.001 (4.29 ppm), SMILES C1CC(C2C1C(C(C2Cl)(Cl)Cl)Cl)Cl, Annotation [C8H9Cl5-7H]+, Rule of HR True"
+273.80551	531677
+274.85522	155065	"Theoretical m/z 274.852241, Mass diff -0.004 (0 ppm), Formula C5H5Cl6"
+275.80249	232986
+275.86322	109212
+276.85226	99186	"Theoretical m/z 276.854828, Mass diff 0.002 (0 ppm), Formula C7H2Cl5O"
+277.86066	61327
+278.89191	149734	"Theoretical m/z 278.8938, Mass diff 0.001 (0 ppm), Formula C10H3Cl4O"
+279.89987	636380
+280.88922	252086	"Theoretical m/z 280.886128, Mass diff -0.004 (0 ppm), Formula C7H6Cl5O"
+281.89688	840756
+282.88629	188431
+283.89386	386298
+284.81589	132037
+284.90164	68343
+285.89059	82121
+286.85483	90185
+286.87372	443779	"Theoretical m/z 286.875564, Mass diff 0.001 (0 ppm), Formula C9H4Cl5"
+288.87079	603399
+290.86786	381721
+292.86499	116737
+297.86603	68570
+299.86264	96378
+301.85968	60487
+314.86844	746391	"Theoretical m/z 314.869928, Mass diff 0.001 (4.72 ppm), SMILES O1C2CC3C(C12)C4(C(=C(C3(C4Cl)Cl)Cl)Cl)Cl, Annotation [C10H7Cl5O-3H]+, Rule of HR True"
+315.8714	72431
+316.86536	1222992
+317.86826	115399
+318.8624	835895
+319.86551	80122
+320.8595	280259
+324.84653	93455
+326.84412	67194
+332.83432	153950
+334.83145	289832
+336.82858	238542
+338.82483	99116	"Theoretical m/z 338.823834, Mass diff -0.002 (0 ppm), Formula C6H6Cl7O"
+350.84488	3011829	"Theoretical m/z 350.846607, Mass diff 0.002 (4.92 ppm), SMILES O1C2CC3C(C12)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C10H6Cl6O-H]+, Rule of HR True"
+351.84827	325409
+352.84183	5820915
+353.84524	627164
+354.83884	4702966
+355.84219	509230
+356.83588	1971814
+357.83929	204856
+358.83282	468435
+360.82968	59998
+385.81372	71043	"Theoretical m/z 385.815448, Mass diff 0.002 (4.48 ppm), SMILES O1C2CC3(C(=C(C(CC(C12)Cl)(C3(Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C10H6Cl7O-H]+, Rule of HR True"
+387.81076	167463
+389.80774	156840
+391.80478	83408
+
+NAME: Endosulfan sulphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2328.8
+PRECURSORMZ: 422.80997
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H6Cl6O4S
+INCHIKEY: AAPVQEMYVNZIOO-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 167
+70.07741	139787
+71.08521	87795
+74.01477	12223	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+77.03825	16525	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.92527	21656
+81.92323	24025
+82.94465	30847	"Theoretical m/z 82.94498, Mass diff 0 (3.98 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97582	32485
+84.09303	100793
+84.98361	68509	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.06445	44239
+85.1008	218862
+86.01473	31243	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.10412	13875
+87.02259	20013	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+94.93099	14596
+95.93879	24662
+95.97562	14400
+96.98357	21711	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.0358	24324
+98.10859	41065
+99.02251	39661	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+99.11639	77203
+101.96404	127826
+102.96255	118641	"Theoretical m/z 102.962053, Mass diff -0.001 (0 ppm), Formula H4ClO2S"
+103.96106	34890
+106.94453	44667	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.97556	28972
+108.94154	51618
+116.90546	46964	"Theoretical m/z 116.906558, Mass diff 0.001 (0 ppm), Formula CCl3"
+118.90251	76581
+119.943	61690
+120.94155	73724
+121.02781	62339	"Theoretical m/z 121.028954, Mass diff 0.001 (0 ppm), Formula C7H5O2"
+121.06421	26472
+122.99889	33593	"Theoretical m/z 123.000153, Mass diff 0.001 (0 ppm), Formula C7H4Cl"
+129.93654	23102
+130.9444	19793	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.93356	12321
+132.98337	59712	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.99116	10488
+134.07191	11834
+134.99901	17710	"Theoretical m/z 135.000153, Mass diff 0.001 (0 ppm), Formula C8H4Cl"
+136.00674	37247
+140.90526	63104	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+142.90234	79187
+144.89932	25378	"Theoretical m/z 144.901473, Mass diff 0.002 (0 ppm), Formula C2Cl3O"
+145.96773	13390
+147.11609	10237
+149.02258	12490	"Theoretical m/z 149.023869, Mass diff 0.001 (0 ppm), Formula C8H5O3"
+152.06126	11841
+156.95987	43876	"Theoretical m/z 156.96118, Mass diff 0.001 (0 ppm), Formula C7H3Cl2"
+158.95686	31788
+164.90482	30299	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.9021	48484	"Theoretical m/z 166.898886, Mass diff -0.004 (0 ppm), Formula C2H3Cl4"
+168.91782	36361
+169.96759	170800
+170.95676	43352	"Theoretical m/z 170.953508, Mass diff -0.004 (0 ppm), Formula C5H6Cl3"
+171.96462	114685	"Theoretical m/z 171.9619, Mass diff -0.003 (0 ppm), Formula C9O2S"
+172.97256	17329	"Theoretical m/z 172.969725, Mass diff -0.003 (0 ppm), Formula C9HO2S"
+173.94904	18918
+179.92865	10734
+181.92566	10689
+190.92076	89137	"Theoretical m/z 190.920582, Mass diff -0.001 (0 ppm), Formula C5ClO4S"
+191.00011	10275
+191.9287	15837
+192.91774	138366	"Theoretical m/z 192.914536, Mass diff -0.004 (0 ppm), Formula C4H5Cl4"
+192.97934	50283	"Theoretical m/z 192.98231, Mass diff 0.002 (0 ppm), Formula C7H7Cl2O2"
+193.92531	14762
+194.93318	77683	"Theoretical m/z 194.930753, Mass diff -0.003 (0 ppm), Formula C8ClO2S"
+200.88155	58949
+202.87871	80651
+203.92848	182471
+204.87588	41718	"Theoretical m/z 204.87815, Mass diff 0.002 (0 ppm), Formula C4HCl4O"
+204.93639	119101	"Theoretical m/z 204.936232, Mass diff -0.001 (0 ppm), Formula C6H2ClO4S"
+205.92555	191792
+206.93347	120074
+207.03137	28672
+207.92267	71503
+208.93037	38741	"Theoretical m/z 208.932773, Mass diff 0.002 (0 ppm), Formula C7H4Cl3O"
+213.88942	22045
+215.8862	29863
+216.93593	34935	"Theoretical m/z 216.936232, Mass diff 0 (0 ppm), Formula C7H2ClO4S"
+217.88354	9880
+218.93289	35917
+220.93057	13207	"Theoretical m/z 220.932773, Mass diff 0.002 (0 ppm), Formula C8H4Cl3O"
+224.88171	12392	"Theoretical m/z 224.883236, Mass diff 0.001 (0 ppm), Formula C7HCl4"
+225.8894	17396
+226.89723	453938	"Theoretical m/z 226.898335, Mass diff 0.001 (4.87 ppm), SMILES CC1C(C)C(C(C1Cl)(Cl)Cl)Cl, Annotation [C7H10Cl4-7H]+, Rule of HR True"
+227.90042	58631
+228.89432	556679
+229.89764	52312
+230.89131	284496
+231.89491	18317
+232.8884	59967
+234.84259	395308	"Theoretical m/z 234.843713, Mass diff 0.001 (4.78 ppm), SMILES C1(=C(C(C(C1Cl)Cl)Cl)Cl)Cl, Annotation [C5H3Cl5-3H]+, Rule of HR True"
+235.8508	97523
+236.83963	661820	"Theoretical m/z 236.834965, Mass diff -0.005 (0 ppm), Formula HCl4O4S"
+237.84795	168417
+238.83667	420563	"Theoretical m/z 238.839178, Mass diff 0.002 (0 ppm), Formula C4Cl5O"
+238.8972	223271	"Theoretical m/z 238.89726, Mass diff 0 (0 ppm), Formula C6HCl2O4S"
+239.84492	195085
+239.90524	92587
+240.83376	145033
+240.89423	294533	"Theoretical m/z 240.891214, Mass diff -0.004 (0 ppm), Formula C5H6Cl5"
+241.84163	37703
+241.90237	145113
+242.83072	23335
+242.89143	156716
+243.89993	52775
+244.88849	36218
+247.85043	12873
+249.84752	16525
+250.89728	96513	"Theoretical m/z 250.89726, Mass diff -0.001 (0 ppm), Formula C7HCl2O4S"
+251.90546	67430
+252.89426	130194
+253.90242	72598
+254.89151	66944	"Theoretical m/z 254.8938, Mass diff 0.002 (0 ppm), Formula C8H3Cl4O"
+255.89941	32045
+256.90778	101367	"Theoretical m/z 256.90945, Mass diff 0.001 (0 ppm), Formula C8H5Cl4O"
+258.90485	101618	"Theoretical m/z 258.902345, Mass diff -0.003 (0 ppm), Formula C9HCl2O3S"
+260.85828	157998	"Theoretical m/z 260.859369, Mass diff 0.001 (4.17 ppm), SMILES C1(=C(C2(CCC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C7H5Cl5-3H]+, Rule of HR True"
+262.85522	190102	"Theoretical m/z 262.852241, Mass diff -0.004 (0 ppm), Formula C4H5Cl6"
+263.86325	12749
+264.85232	116277	"Theoretical m/z 264.854828, Mass diff 0.002 (0 ppm), Formula C6H2Cl5O"
+266.84949	43460
+269.81134	502628
+270.81482	27554
+270.90463	14000	"Theoretical m/z 270.909844, Mass diff 0.005 (0 ppm), Formula C5H7Cl4O4"
+271.80841	980783
+272.81171	56106
+273.80545	782545
+273.8656	32540
+274.80905	42694
+274.87381	158136	"Theoretical m/z 274.875024, Mass diff 0.001 (4.42 ppm), SMILES C1(=C(C2(C(C)CC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C8H7Cl5-3H]+, Rule of HR True"
+275.80243	331642
+275.86316	70271
+276.80551	12792
+276.87085	255121	"Theoretical m/z 276.868458, Mass diff -0.003 (0 ppm), Formula C9Cl3O2S"
+277.79938	78220
+277.85971	57912
+278.86783	167746
+279.87131	16551
+280.86487	54385	"Theoretical m/z 280.863373, Mass diff -0.002 (0 ppm), Formula C8Cl3O3S"
+281.04977	25771
+286.87372	122786	"Theoretical m/z 286.87503, Mass diff 0.001 (4.57 ppm), SMILES C1(=C(C2(C(C)C(C)C1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C9H9Cl5-5H]+, Rule of HR True"
+288.87082	203556	"Theoretical m/z 288.867891, Mass diff -0.003 (0 ppm), Formula C6H7Cl6"
+289.87405	11856
+290.86786	125539
+292.86511	43365	"Theoretical m/z 292.863373, Mass diff -0.002 (0 ppm), Formula C9Cl3O3S"
+308.83469	20591	"Theoretical m/z 308.836053, Mass diff 0.001 (4.41 ppm), SMILES C1(=C(C2(C(C)CC1(C2(Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C8H6Cl6-3H]+, Rule of HR True"
+310.83197	36562	"Theoretical m/z 310.836985, Mass diff 0.004 (0 ppm), Formula C4H5Cl6O3"
+312.82864	29301
+354.8298	31804
+356.82696	48809	"Theoretical m/z 356.824706, Mass diff -0.003 (0 ppm), Formula C5H7Cl6O3S"
+358.82431	39222
+384.84064	167429	"Theoretical m/z 384.842395, Mass diff 0.002 (4.56 ppm), SMILES O=S1(=O)(OCC2C(CO1)C3(C(=C(C2(C3Cl)Cl)Cl)Cl)Cl), Annotation [C9H7Cl5O4S-H]+, Rule of HR True"
+385.8447	14415
+386.83771	270680	"Theoretical m/z 386.8319, Mass diff -0.006 (0 ppm), Formula C9H5Cl6O4"
+387.84058	26843
+388.83456	184373
+389.83795	15376
+390.83173	60628
+419.80957	59112	"Theoretical m/z 419.81125, Mass diff 0.002 (4 ppm), SMILES O=S1(=O)(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl), Annotation [C9H6Cl6O4S]+, Rule of HR False"
+421.80637	113096
+423.80322	87925
+425.80032	34503
+
+NAME: Endrin ketone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2430.1
+PRECURSORMZ: 381.86227
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H8Cl6O
+INCHIKEY: IZHZFAQWVKBTSL-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1C2C3C4C1C(=O)C2C5(C3(C(C4(C5Cl)Cl)(Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 234
+70.07741	143563
+71.08521	96487
+72.98366	71606	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01479	39699	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02262	82203	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03824	158965	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04608	22292	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.0539	192355	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+79.92523	23414
+80.06168	19959	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+81.06955	18686	"Theoretical m/z 81.070425, Mass diff 0 (0 ppm), Formula C6H9"
+81.92323	31492
+82.9446	68004	"Theoretical m/z 82.94498, Mass diff 0 (4.58 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.04878	32309	"Theoretical m/z 83.049139, Mass diff 0 (4.33 ppm), SMILES O=C(CC)CC, Annotation [C5H9O-2H]+, Rule of HR False"
+83.08518	27467
+83.97579	31263
+84.09302	131523
+84.94167	111036
+84.9836	63454	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.1008	332139
+86.01472	82131	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.50701	189172
+87.02257	114608	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+87.50552	68289
+88.03037	21427	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03818	61838	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.48755	32355
+92.04915	67373
+95.93883	18757
+96.98357	66559	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01476	42847
+98.10859	84829
+98.99919	213661	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+99.11641	91770
+100.05146	54383
+101.01485	279694	"Theoretical m/z 101.015803, Mass diff 0 (0 ppm), Formula C5H6Cl"
+102.04603	66891	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.01187	72208
+103.05377	91463	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+103.48738	72390
+104.02522	44510	"Theoretical m/z 104.026215, Mass diff 0 (0 ppm), Formula C7H4O"
+104.0616	45136	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+104.48598	79231
+105.03307	33199	"Theoretical m/z 105.03404, Mass diff 0 (0 ppm), Formula C7H5O"
+105.06944	28936	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+105.49382	20420
+106.0409	16265	"Theoretical m/z 106.041865, Mass diff 0 (0 ppm), Formula C7H6O"
+106.9445	64891	"Theoretical m/z 106.944984, Mass diff 0 (4.52 ppm), SMILES CC(CCl)Cl, Annotation [C3H6Cl2-5H]+, Rule of HR True"
+107.04868	48328	"Theoretical m/z 107.049141, Mass diff 0 (-4.31 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+107.97562	22714
+108.05653	62331	"Theoretical m/z 108.057515, Mass diff 0 (0 ppm), Formula C7H8O"
+108.94157	117587
+110.95716	23408
+110.99912	72024	"Theoretical m/z 111.000153, Mass diff 0 (0 ppm), Formula C6H4Cl"
+111.04357	68816
+112.0469	20920
+113.01477	256742	"Theoretical m/z 113.015803, Mass diff 0 (0 ppm), Formula C6H6Cl"
+114.01816	45571
+115.05371	110289	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+118.04079	18856	"Theoretical m/z 118.041865, Mass diff 0.001 (0 ppm), Formula C8H6O"
+118.94444	27113	"Theoretical m/z 118.94553, Mass diff 0.001 (0 ppm), Formula C4HCl2"
+120.98338	26993	"Theoretical m/z 120.984503, Mass diff 0.001 (0 ppm), Formula C7H2Cl"
+121.02779	25744
+122.47409	21207
+122.97802	21137	"Theoretical m/z 122.976831, Mass diff -0.002 (0 ppm), Formula C4H5Cl2"
+122.99912	72682	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+125.01464	42204	"Theoretical m/z 125.015803, Mass diff 0.001 (0 ppm), Formula C7H6Cl"
+126.04584	44302
+128.06146	19523	"Theoretical m/z 128.0626, Mass diff 0.001 (0 ppm), Formula C10H8"
+129.05402	16851
+130.99091	21663
+132.96001	97552	"Theoretical m/z 132.96118, Mass diff 0.001 (0 ppm), Formula C5H3Cl2"
+133.9678	17746
+134.97566	153791	"Theoretical m/z 134.976831, Mass diff 0.001 (0 ppm), Formula C5H5Cl2"
+136.00678	83817
+136.97269	151749
+137.03795	92699	"Theoretical m/z 137.039125, Mass diff 0.001 (0 ppm), Formula C11H5"
+138.00392	19427
+138.04572	97340
+139.00504	60671
+139.05356	442800	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+140.05698	87651
+141.00194	19997
+141.0692	24927	"Theoretical m/z 141.070425, Mass diff 0.001 (0 ppm), Formula C11H9"
+142.94431	28431	"Theoretical m/z 142.94553, Mass diff 0.001 (0 ppm), Formula C6HCl2"
+144.91803	17936
+144.98323	24666	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+145.96773	59534
+146.9756	298899	"Theoretical m/z 146.976831, Mass diff 0.001 (0 ppm), Formula C6H5Cl2"
+147.96489	93473
+148.00662	38426
+148.9726	275474
+149.0226	315630
+150.02612	20134
+151.0114	65798
+151.02333	66746
+155.08487	18343
+156.95987	36727	"Theoretical m/z 156.96118, Mass diff 0.001 (0 ppm), Formula C7H3Cl2"
+158.97545	104421	"Theoretical m/z 158.976831, Mass diff 0.001 (0 ppm), Formula C7H5Cl2"
+160.00665	34963
+160.9726	56382
+162.02211	74682
+164.01936	15828
+166.92082	71399	"Theoretical m/z 166.922208, Mass diff 0.001 (0 ppm), Formula C5H2Cl3"
+168.91791	82481
+169.96742	79795
+170.91492	33794	"Theoretical m/z 170.917123, Mass diff 0.002 (0 ppm), Formula C4H2Cl3O"
+170.97545	51006	"Theoretical m/z 170.976831, Mass diff 0.001 (0 ppm), Formula C8H5Cl2"
+171.95097	62465
+172.96585	66495	"Theoretical m/z 172.969158, Mass diff 0.003 (0 ppm), Formula C5H8Cl3"
+173.01434	330162	"Theoretical m/z 173.015803, Mass diff 0.001 (0 ppm), Formula C11H6Cl"
+174.02223	79629
+175.01141	135644	"Theoretical m/z 175.008131, Mass diff -0.004 (0 ppm), Formula C8H9Cl2"
+175.03003	321016	"Theoretical m/z 175.031453, Mass diff 0.001 (0 ppm), Formula C11H8Cl"
+176.03337	40253
+177.02695	68344
+179.92856	116060
+180.93643	123336	"Theoretical m/z 180.937858, Mass diff 0.001 (0 ppm), Formula C6H4Cl3"
+181.92557	144962
+182.97539	306637	"Theoretical m/z 182.976831, Mass diff 0.001 (0 ppm), Formula C9H5Cl2"
+183.92278	71251
+183.96478	30358
+184.97243	168229	"Theoretical m/z 184.969158, Mass diff -0.004 (0 ppm), Formula C6H8Cl3"
+186.96954	18983
+189.05368	17819
+192.93634	152546	"Theoretical m/z 192.937858, Mass diff 0.001 (0 ppm), Formula C7H4Cl3"
+193.94417	47215
+194.93347	144418
+195.98305	162125
+196.9305	89444	"Theoretical m/z 196.932773, Mass diff 0.002 (0 ppm), Formula C6H4Cl3O"
+196.99088	40597	"Theoretical m/z 196.992481, Mass diff 0.001 (0 ppm), Formula C10H7Cl2"
+197.98024	83921
+198.98819	23787
+200.88165	30140	"Theoretical m/z 200.883236, Mass diff 0.001 (0 ppm), Formula C5HCl4"
+202.87869	43298
+203.92853	37175
+204.87569	17038	"Theoretical m/z 204.87815, Mass diff 0.002 (0 ppm), Formula C4HCl4O"
+205.94405	108981
+206.91554	55703	"Theoretical m/z 206.917123, Mass diff 0.001 (0 ppm), Formula C7H2Cl3O"
+206.9753	174654	"Theoretical m/z 206.976831, Mass diff 0.001 (0 ppm), Formula C11H5Cl2"
+207.03139	45704
+207.94118	129924
+208.0305	48544
+208.93129	203657	"Theoretical m/z 208.932773, Mass diff 0.001 (0 ppm), Formula C7H4Cl3O"
+208.99092	601713	"Theoretical m/z 208.992481, Mass diff 0.001 (0 ppm), Formula C11H7Cl2"
+209.9803	62610
+209.99904	171381
+210.92833	98741	"Theoretical m/z 210.925101, Mass diff -0.004 (0 ppm), Formula C4H7Cl4O"
+210.98798	311232
+211.99586	69784
+212.92531	26170
+212.98514	45143
+213.88946	153895
+214.89742	56175	"Theoretical m/z 214.898886, Mass diff 0.001 (0 ppm), Formula C6H3Cl4"
+215.88652	184444
+216.93626	229026	"Theoretical m/z 216.937858, Mass diff 0.001 (0 ppm), Formula C9H4Cl3"
+217.88362	83809
+218.93327	241613	"Theoretical m/z 218.930186, Mass diff -0.004 (0 ppm), Formula C6H7Cl4"
+219.93662	19018
+220.93036	54831
+220.94887	111372	"Theoretical m/z 220.945836, Mass diff -0.004 (0 ppm), Formula C6H9Cl4"
+226.89712	58816	"Theoretical m/z 226.898886, Mass diff 0.001 (0 ppm), Formula C7H3Cl4"
+228.89429	66042
+229.94388	54641
+230.8914	33978	"Theoretical m/z 230.8938, Mass diff 0.002 (0 ppm), Formula C6H3Cl4O"
+231.94128	51902
+232.94873	17083
+235.97815	34294
+236.98593	28136
+237.97498	25222
+238.98288	19537
+240.89407	29910	"Theoretical m/z 240.891214, Mass diff -0.003 (0 ppm), Formula C5H6Cl5"
+241.88414	34496
+242.95184	657300	"Theoretical m/z 242.953508, Mass diff 0.001 (0 ppm), Formula C11H6Cl3"
+243.88148	29690
+243.96072	179676
+244.9489	835680	"Theoretical m/z 244.945836, Mass diff -0.004 (0 ppm), Formula C8H9Cl4"
+245.95761	194053
+246.94592	386420	"Theoretical m/z 246.948423, Mass diff 0.002 (0 ppm), Formula C10H6Cl3O"
+247.85043	409682
+247.95471	61746
+248.85931	43663	"Theoretical m/z 248.859913, Mass diff 0 (0 ppm), Formula C6H2Cl5"
+248.96187	81359	"Theoretical m/z 248.964073, Mass diff 0.002 (0 ppm), Formula C10H8Cl3O"
+249.84741	670461
+250.8564	125813
+251.84448	434528
+252.89418	144456	"Theoretical m/z 252.891214, Mass diff -0.004 (0 ppm), Formula C6H6Cl5"
+253.84146	130265
+254.9099	79256	"Theoretical m/z 254.906864, Mass diff -0.004 (0 ppm), Formula C6H8Cl5"
+255.83847	19195
+256.90665	16358
+260.85831	58504	"Theoretical m/z 260.859913, Mass diff 0.001 (0 ppm), Formula C7H2Cl5"
+262.85535	88557	"Theoretical m/z 262.852241, Mass diff -0.004 (0 ppm), Formula C4H5Cl6"
+264.85236	54081	"Theoretical m/z 264.854828, Mass diff 0.002 (0 ppm), Formula C6H2Cl5O"
+270.94687	75910	"Theoretical m/z 270.948423, Mass diff 0.001 (0 ppm), Formula C12H6Cl3O"
+272.94385	103146
+274.95941	40414
+275.84543	17719
+276.871	24253	"Theoretical m/z 276.867891, Mass diff -0.004 (0 ppm), Formula C5H7Cl6"
+276.91306	17744	"Theoretical m/z 276.914536, Mass diff 0.001 (0 ppm), Formula C11H5Cl4"
+277.8421	29698
+277.92056	76491
+278.90997	30440	"Theoretical m/z 278.906864, Mass diff -0.004 (0 ppm), Formula C8H8Cl5"
+278.92838	606903	"Theoretical m/z 278.930186, Mass diff 0.001 (0 ppm), Formula C11H7Cl4"
+279.91779	145190
+280.92545	848748
+281.04987	19063
+281.92783	118178
+282.92246	460402
+283.92471	40517
+284.91934	119307
+306.9231	88923	"Theoretical m/z 306.924554, Mass diff 0.001 (4.74 ppm), SMILES O=C1C2CC3C1C4(CC5C2C3C4(C5(Cl)Cl)Cl)Cl, Annotation [C12H10Cl4O-3H]+, Rule of HR True"
+308.92023	157773
+310.91751	111738
+312.9324	67655
+314.90482	1019649	"Theoretical m/z 314.906305, Mass diff 0.001 (4.71 ppm), SMILES C1CC2C3C1CC4(CC2(C(C34Cl)(Cl)Cl)Cl)Cl, Annotation [C11H11Cl5-3H]+, Rule of HR True"
+315.90808	122645
+316.90173	1582749
+317.90497	153447
+318.89877	1003052
+319.9021	112189
+320.89584	332499
+321.89929	37522
+322.89297	49473
+342.89948	161219
+343.90326	21600
+344.89645	260246
+345.89996	39810
+346.89365	172344
+347.89743	18869
+348.89062	51758
+349.87305	23590
+351.8707	45923
+353.86798	27688
+
+NAME: trans-Chlordane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2079
+PRECURSORMZ: 409.78943
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H6Cl8
+INCHIKEY: BIWJNBZANLAXMG-GPTKHRSPSA-N
+INCHI: 
+SMILES: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 140
+70.0774	349496
+71.08521	247398
+72.98364	125087	"Theoretical m/z 72.983954, Mass diff 0 (4.31 ppm), SMILES CCCCl, Annotation [C3H7Cl-5H]+, Rule of HR True"
+74.99931	180742	"Theoretical m/z 74.999605, Mass diff 0 (3.93 ppm), SMILES CCCCl, Annotation [C3H7Cl-3H]+, Rule of HR True"
+82.94463	223835	"Theoretical m/z 82.94498, Mass diff 0 (4.22 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97579	115395
+84.09302	351272
+84.94169	332199
+84.98362	173653	"Theoretical m/z 84.983952, Mass diff 0 (3.91 ppm), SMILES CCCCCl, Annotation [C4H9Cl-7H]+, Rule of HR True"
+85.1008	878833
+86.01472	135233	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02254	166569	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.06166	396613
+95.97566	109394
+96.98356	264655	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.98208	119269
+98.01469	302475
+98.99919	486185	"Theoretical m/z 98.999602, Mass diff 0 (4.17 ppm), SMILES C1CCC(C1)Cl, Annotation [C5H9Cl-5H]+, Rule of HR True"
+100.00699	366115
+101.0148	208578	"Theoretical m/z 101.015252, Mass diff 0 (4.48 ppm), SMILES C1CCC(C1)Cl, Annotation [C5H9Cl-3H]+, Rule of HR True"
+102.00404	201660
+102.96251	106579
+106.94452	176669	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.97562	144439
+108.9602	405372	"Theoretical m/z 108.960634, Mass diff 0 (3.98 ppm), SMILES CC(CCl)Cl, Annotation [C3H6Cl2-3H]+, Rule of HR True"
+110.95716	149386
+114.96247	196680
+115.97038	106585
+116.90545	502556	"Theoretical m/z 116.906558, Mass diff 0.001 (0 ppm), Formula CCl3"
+118.9025	615306
+119.94297	253054
+120.94144	357718
+123.02226	139710	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+129.93657	112485
+131.95222	279092
+132.95071	417889
+133.94917	125048
+134.97568	293320	"Theoretical m/z 134.976281, Mass diff 0.001 (4.46 ppm), SMILES C1CC(C(C1)Cl)Cl, Annotation [C5H8Cl2-3H]+, Rule of HR True"
+136.97273	221778
+140.90529	324005	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+142.90234	420468
+144.89931	209468
+156.95978	107777	"Theoretical m/z 156.96118, Mass diff 0.001 (0 ppm), Formula C7H3Cl2"
+158.95688	120578
+160.00659	309270
+162.00377	103321
+164.90509	152080	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.90213	257199	"Theoretical m/z 166.898886, Mass diff -0.004 (0 ppm), Formula C2H3Cl4"
+168.9178	186558
+169.96753	199994
+171.96463	109101
+182.97537	205091	"Theoretical m/z 182.976831, Mass diff 0.001 (0 ppm), Formula C9H5Cl2"
+184.97234	118094
+190.92058	325203	"Theoretical m/z 190.922208, Mass diff 0.001 (0 ppm), Formula C7H2Cl3"
+192.91772	382134	"Theoretical m/z 192.914536, Mass diff -0.004 (0 ppm), Formula C4H5Cl4"
+193.96736	295857
+194.9148	279659
+194.97527	159215	"Theoretical m/z 194.976831, Mass diff 0.001 (0 ppm), Formula C10H5Cl2"
+195.98312	472814
+197.98004	186747
+200.88162	213762
+202.87866	306826
+203.92847	361223
+204.8756	278869
+204.93649	135591	"Theoretical m/z 204.937858, Mass diff 0.001 (0 ppm), Formula C8H4Cl3"
+205.92555	323618
+207.92259	109040
+215.88654	143230
+216.93625	265461	"Theoretical m/z 216.937858, Mass diff 0.001 (0 ppm), Formula C9H4Cl3"
+217.88336	137360
+218.93321	301399
+220.93054	116642
+226.89722	273358	"Theoretical m/z 226.898886, Mass diff 0.001 (0 ppm), Formula C7H3Cl4"
+227.88638	188959
+228.89433	319757
+229.92587	141712
+229.94398	754146
+230.89148	228888
+230.93324	127704
+231.94107	604616
+232.94423	98158
+233.93808	185848
+234.84259	1647535	"Theoretical m/z 234.843713, Mass diff 0.001 (4.78 ppm), SMILES C1(=C(C(C(C1Cl)Cl)Cl)Cl)Cl, Annotation [C5H3Cl5-3H]+, Rule of HR True"
+235.85103	282668
+236.8396	2692353
+237.84805	532176
+238.83666	1863714
+238.89763	116997	"Theoretical m/z 238.898886, Mass diff 0.001 (0 ppm), Formula C8H3Cl4"
+239.84508	464036
+239.88628	189361
+240.83368	594993
+240.89446	163996	"Theoretical m/z 240.891214, Mass diff -0.004 (0 ppm), Formula C5H6Cl5"
+241.88365	203692
+250.89731	152799	"Theoretical m/z 250.898886, Mass diff 0.001 (0 ppm), Formula C9H3Cl4"
+252.89418	249193
+254.90993	169571
+260.85818	869427	"Theoretical m/z 260.859369, Mass diff 0.001 (4.56 ppm), SMILES C1(=C(C2(CCC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C7H5Cl5-3H]+, Rule of HR True"
+262.85519	1425186	"Theoretical m/z 262.852241, Mass diff -0.003 (0 ppm), Formula C4H5Cl6"
+263.90497	1589231
+264.85226	1203362
+264.91254	305031
+265.90198	1992619
+266.84943	304329
+266.91077	405038
+267.89905	932955
+268.90649	187772
+269.81134	1112481
+269.89609	203044
+271.80841	2202841
+272.81158	132172
+273.80548	1786018
+274.80847	176325
+275.8024	736620
+276.87067	127779	"Theoretical m/z 276.867891, Mass diff -0.003 (0 ppm), Formula C5H7Cl6"
+277.79941	181447
+298.87354	712869	"Theoretical m/z 298.875564, Mass diff 0.001 (0 ppm), Formula C10H4Cl5"
+299.88065	110618
+300.87057	1181892
+301.87936	185454
+302.86758	832710
+303.87518	109055
+304.86459	316491
+334.84998	474438
+336.84702	966695
+338.84406	853166
+340.8411	396941
+342.83771	115026
+370.82657	4340910	"Theoretical m/z 370.828357, Mass diff 0.002 (4.82 ppm), SMILES C2(=C(C3(C1C(CCC1Cl)C2(C3(Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C10H7Cl7-H]+, Rule of HR True"
+371.82983	456282
+372.82352	9745980
+373.8269	1067702
+374.82056	9376621
+375.82398	1018617
+376.81754	4983295
+377.82089	510876
+378.81461	1574483
+379.81799	160619
+380.81162	291972
+407.7926	141779
+409.78943	162855
+
+NAME: cis-Chlordane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2112.9
+PRECURSORMZ: 409.78925
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H6Cl8
+INCHIKEY: BIWJNBZANLAXMG-KMMBHOGFSA-N
+INCHI: 
+SMILES: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 158
+70.07741	188076
+71.08521	164267
+72.98364	123121	"Theoretical m/z 72.983954, Mass diff 0 (4.31 ppm), SMILES CCCCl, Annotation [C3H7Cl-5H]+, Rule of HR True"
+74.01476	94408	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+74.99932	215490	"Theoretical m/z 74.999605, Mass diff 0 (3.79 ppm), SMILES CCCCl, Annotation [C3H7Cl-3H]+, Rule of HR True"
+77.03824	124151	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+82.94462	223335	"Theoretical m/z 82.94498, Mass diff 0 (4.34 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97578	121520
+84.09301	254588
+84.94165	316920
+84.98361	169013	"Theoretical m/z 84.983952, Mass diff 0 (4.03 ppm), SMILES CCCCCl, Annotation [C4H9Cl-7H]+, Rule of HR True"
+85.10079	371223
+86.01469	123597	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02255	169186	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.06165	256365
+95.97573	103805
+96.98357	324265	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01468	322705
+98.99918	487658	"Theoretical m/z 98.999602, Mass diff 0 (4.27 ppm), SMILES C1CCC(C1)Cl, Annotation [C5H9Cl-5H]+, Rule of HR True"
+100.00698	511762
+100.99625	105110
+101.01485	250702	"Theoretical m/z 101.015252, Mass diff 0 (3.98 ppm), SMILES C1CCC(C1)Cl, Annotation [C5H9Cl-3H]+, Rule of HR True"
+102.004	267907
+102.96256	132992
+103.05376	123712	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+106.9445	156835	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.97562	141365
+108.96016	482922	"Theoretical m/z 108.960634, Mass diff 0 (4.35 ppm), SMILES CC(CCl)Cl, Annotation [C3H6Cl2-3H]+, Rule of HR True"
+110.95717	227198
+113.96397	96482
+114.97185	213995
+115.97032	147128
+116.90546	438430	"Theoretical m/z 116.906558, Mass diff 0.001 (0 ppm), Formula CCl3"
+118.90252	568369
+119.94296	257783
+120.89954	337171
+120.98344	200586	"Theoretical m/z 120.984503, Mass diff 0.001 (0 ppm), Formula C7H2Cl"
+122.99898	164555	"Theoretical m/z 123.000153, Mass diff 0.001 (0 ppm), Formula C7H4Cl"
+125.03791	102503	"Theoretical m/z 125.039125, Mass diff 0.001 (0 ppm), Formula C10H5"
+126.04578	90784
+129.93654	118063
+130.9444	90226	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.95224	331678
+132.95073	461581
+132.98332	118254	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.94937	162268
+134.97566	395564	"Theoretical m/z 134.976281, Mass diff 0.001 (4.6 ppm), SMILES C1CC(C(C1)Cl)Cl, Annotation [C5H8Cl2-3H]+, Rule of HR True"
+136.00688	105823
+136.97266	285780
+140.90529	306114	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+142.90231	404038
+144.89934	177763
+156.95975	125103	"Theoretical m/z 156.96118, Mass diff 0.001 (0 ppm), Formula C7H3Cl2"
+158.9568	109666
+160.00661	342444
+162.00371	102802
+164.90518	152913	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.90218	265857	"Theoretical m/z 166.898886, Mass diff -0.004 (0 ppm), Formula C2H3Cl4"
+168.93637	253303	"Theoretical m/z 168.937858, Mass diff 0.001 (0 ppm), Formula C5H4Cl3"
+169.96754	182989
+170.9335	133909
+171.96454	111411
+182.97524	191692	"Theoretical m/z 182.976831, Mass diff 0.001 (0 ppm), Formula C9H5Cl2"
+184.97243	114164
+190.92062	306060	"Theoretical m/z 190.922208, Mass diff 0.001 (0 ppm), Formula C7H2Cl3"
+192.91772	346393	"Theoretical m/z 192.914536, Mass diff -0.004 (0 ppm), Formula C4H5Cl4"
+193.96742	345403
+194.91481	246727
+194.97522	137098	"Theoretical m/z 194.976831, Mass diff 0.001 (0 ppm), Formula C10H5Cl2"
+195.98309	453389
+197.98016	186687
+200.88165	158971
+202.87869	286512
+203.9285	330379
+204.87587	247707
+204.93662	131860	"Theoretical m/z 204.937858, Mass diff 0.001 (0 ppm), Formula C8H4Cl3"
+205.92552	330246
+207.92268	112729
+213.8896	87796
+215.88649	131010
+216.93625	311608	"Theoretical m/z 216.937858, Mass diff 0.001 (0 ppm), Formula C9H4Cl3"
+217.88342	135852
+218.93327	335937
+220.93039	114453
+225.88927	88671
+226.89717	340856
+227.88652	195951
+228.89435	416828
+229.92598	139017
+229.94398	758801
+230.89143	283756
+230.93333	132558
+231.94101	635851
+233.93814	203959
+234.84258	1459338	"Theoretical m/z 234.843713, Mass diff 0.001 (4.83 ppm), SMILES C1(=C(C(C(C1Cl)Cl)Cl)Cl)Cl, Annotation [C5H3Cl5-3H]+, Rule of HR True"
+235.85138	162479
+236.83962	2528259
+237.84831	360735
+238.83666	1761046
+238.89726	174789	"Theoretical m/z 238.898886, Mass diff 0.001 (0 ppm), Formula C8H3Cl4"
+239.84526	376572
+239.88632	178049
+240.83368	708240
+240.8941	179105	"Theoretical m/z 240.891214, Mass diff -0.003 (0 ppm), Formula C5H6Cl5"
+241.8835	178462
+242.83087	174734
+250.89714	205507	"Theoretical m/z 250.898886, Mass diff 0.001 (0 ppm), Formula C9H3Cl4"
+252.8943	249798
+254.90999	166028
+260.85818	931228	"Theoretical m/z 260.859369, Mass diff 0.001 (4.56 ppm), SMILES C1(=C(C2(CCC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C7H5Cl5-3H]+, Rule of HR True"
+262.85522	1583974	"Theoretical m/z 262.852241, Mass diff -0.004 (0 ppm), Formula C4H5Cl6"
+263.90494	1702255
+264.85223	986196
+264.91263	293900
+265.90198	2124368
+266.84927	286645
+266.9097	356102
+267.89902	1012990
+268.90793	150503
+269.81137	1045692
+269.89597	224764
+271.80838	2030712
+272.81116	110013
+273.80545	1631470
+274.80859	166895
+274.87381	100593	"Theoretical m/z 274.875024, Mass diff 0.001 (4.42 ppm), SMILES C1(=C(C2(C(C)CC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C8H7Cl5-3H]+, Rule of HR True"
+275.80237	715686
+276.871	132602	"Theoretical m/z 276.867891, Mass diff -0.004 (0 ppm), Formula C5H7Cl6"
+277.79947	164102
+284.81592	98771
+298.87351	931421	"Theoretical m/z 298.875564, Mass diff 0.002 (0 ppm), Formula C10H4Cl5"
+299.88107	133731
+300.87057	1541904
+301.87787	263187
+302.86764	1031353
+303.87512	149238
+304.86462	360160
+334.85001	697995
+336.84705	1377728
+337.85007	129525
+338.84396	1144466
+339.84714	91712
+340.84106	490954
+342.83829	143079
+370.82657	3843396	"Theoretical m/z 370.828357, Mass diff 0.002 (4.82 ppm), SMILES C2(=C(C3(C1C(CCC1Cl)C2(C3(Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C10H7Cl7-H]+, Rule of HR True"
+371.8298	385107
+372.82352	8577957
+373.8269	843867
+374.82053	8305628
+375.82385	795396
+376.81754	4364256
+377.82092	463355
+378.81454	1386805
+379.81805	150836
+380.81183	260868
+407.79233	201484
+409.78925	270967
+411.78635	168106
+
+NAME: Endrin aldehyde
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2275.8
+PRECURSORMZ: 373.01865
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H8Cl6O
+INCHIKEY: HCTWZIFNBBCVGM-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1C(C2C3C1C4C5(C2(C(C3(C45Cl)Cl)(Cl)Cl)Cl)Cl)C=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 279
+70.07766	69710
+71.08547	63852
+72.98389	64507	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01504	30925	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02291	55395	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03853	117129	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04638	22102	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.0542	89419	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+79.92557	19428
+81.06986	33408	"Theoretical m/z 81.070425, Mass diff 0 (0 ppm), Formula C6H9"
+81.92356	16261
+82.94489	55727	"Theoretical m/z 82.94498, Mass diff 0 (1.09 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97608	44335
+84.09335	129554
+84.98392	130635	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.06476	89014	"Theoretical m/z 85.064792, Mass diff 0 (0.38 ppm), SMILES O=CC(C)CC, Annotation [C5H10O-H]+, Rule of HR True"
+85.10112	235066
+86.01504	96716	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.10446	19075
+86.50732	83929
+87.02289	90530	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+87.50579	22131
+89.03851	39308	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04639	19274	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+92.04943	17909
+94.04129	42559	"Theoretical m/z 94.041313, Mass diff 0 (-0.25 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.0491	35318	"Theoretical m/z 95.049141, Mass diff 0 (-0.43 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08548	32048
+95.97615	44289
+96.98392	84748	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01507	44622
+98.99958	187511	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+99.11678	19698
+100.00734	29399
+101.01521	285292	"Theoretical m/z 101.015803, Mass diff 0 (0 ppm), Formula C5H6Cl"
+102.04639	46308	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.01218	80585
+103.05416	88763	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+103.48776	102827
+104.02561	25586	"Theoretical m/z 104.026215, Mass diff 0 (0 ppm), Formula C7H4O"
+104.06198	23664	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+104.48634	71061
+105.06983	18200	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.94491	88680	"Theoretical m/z 106.944981, Mass diff 0 (0.66 ppm), SMILES C(CCCl)Cl, Annotation [C3H5Cl2-4H]+, Rule of HR False"
+107.97598	52399
+108.94195	135309
+108.98389	83373	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+110.01502	50462
+110.99954	53692	"Theoretical m/z 111.000153, Mass diff 0 (0 ppm), Formula C6H4Cl"
+111.02274	78742	"Theoretical m/z 111.023475, Mass diff 0 (0 ppm), Formula C9H3"
+113.0385	86447	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.99439	86250	"Theoretical m/z 114.995067, Mass diff 0 (0 ppm), Formula C5H4ClO"
+115.05415	118477	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.90588	33428	"Theoretical m/z 116.906558, Mass diff 0 (0 ppm), Formula CCl3"
+116.98684	27958
+118.90299	50747
+119.97595	14458
+120.90014	14599
+120.96053	148646	"Theoretical m/z 120.96118, Mass diff 0 (0 ppm), Formula C4H3Cl2"
+121.06468	43210	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+121.47601	20805
+122.47456	20747
+122.95754	142207
+122.99947	75477	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+124.99647	20737
+125.01524	54398	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+126.04631	39666
+129.01004	76723	"Theoretical m/z 129.010717, Mass diff 0 (0 ppm), Formula C6H6ClO"
+130.94487	56971	"Theoretical m/z 130.94553, Mass diff 0 (0 ppm), Formula C5HCl2"
+131.04907	31214	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+131.08542	43619
+132.96053	175022	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+132.98381	28335	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.96832	29838
+134.95755	137974
+136.00732	42407
+136.97321	37370
+137.01514	49079	"Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl"
+137.03848	179104	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+138.04626	129333
+139.05408	329230	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+140.05745	42737
+140.9059	43458	"Theoretical m/z 140.906558, Mass diff 0 (0 ppm), Formula C3Cl3"
+142.94478	80963	"Theoretical m/z 142.94553, Mass diff 0 (0 ppm), Formula C6HCl2"
+144.94189	44305
+145.96831	71247
+146.99939	194728	"Theoretical m/z 147.000153, Mass diff 0 (0 ppm), Formula C9H4Cl"
+147.9653	76567
+148.9554	282938	"Theoretical m/z 148.956095, Mass diff 0 (0 ppm), Formula C5H3Cl2O"
+149.02313	378734
+150.95245	131017
+151.0239	29297
+152.94939	21278
+155.08519	19066
+156.9605	54615	"Theoretical m/z 156.96118, Mass diff 0 (0 ppm), Formula C7H3Cl2"
+158.97606	155730	"Theoretical m/z 158.976831, Mass diff 0 (0 ppm), Formula C7H5Cl2"
+160.00719	41004
+160.97316	91429
+162.02292	71290
+162.97041	21042
+166.92142	56641	"Theoretical m/z 166.922208, Mass diff 0 (0 ppm), Formula C5H2Cl3"
+167.07265	15952
+167.929	15603
+168.08052	15791
+168.93727	115304	"Theoretical m/z 168.937858, Mass diff 0 (0 ppm), Formula C5H4Cl3"
+169.96822	65755
+170.93425	104938
+170.99928	56213	"Theoretical m/z 171.000153, Mass diff 0 (0 ppm), Formula C11H4Cl"
+171.95151	91045
+172.00688	87885
+172.96629	55642	"Theoretical m/z 172.969158, Mass diff 0.002 (0 ppm), Formula C5H8Cl3"
+173.015	597376	"Theoretical m/z 173.015803, Mass diff 0 (0 ppm), Formula C11H6Cl"
+174.02286	108547
+175.01204	256667
+177.06953	17051
+177.91338	17976
+179.9292	95574
+180.0805	31454
+180.96043	121150	"Theoretical m/z 180.96118, Mass diff 0 (0 ppm), Formula C9H3Cl2"
+181.96816	167455
+182.93408	96297
+182.97598	272567	"Theoretical m/z 182.976831, Mass diff 0 (0 ppm), Formula C9H5Cl2"
+183.9651	83829
+184.93195	250541	"Theoretical m/z 184.932773, Mass diff 0 (0 ppm), Formula C5H4Cl3O"
+184.97301	120749
+186.92908	130568
+188.92613	34939
+189.05437	15483
+190.92137	30395	"Theoretical m/z 190.922208, Mass diff 0 (0 ppm), Formula C7H2Cl3"
+192.93704	142511	"Theoretical m/z 192.937858, Mass diff 0 (0 ppm), Formula C7H4Cl3"
+193.94473	114838
+194.09636	25501
+194.93414	120898
+195.98386	234454
+196.93117	71745	"Theoretical m/z 196.932773, Mass diff 0.001 (0 ppm), Formula C6H4Cl3O"
+196.99182	35045	"Theoretical m/z 196.992481, Mass diff 0 (0 ppm), Formula C10H7Cl2"
+197.98088	100027
+198.9752	19199	"Theoretical m/z 198.971745, Mass diff -0.004 (0 ppm), Formula C9H5Cl2O"
+199.97838	16540
+200.88222	26297	"Theoretical m/z 200.883236, Mass diff 0 (0 ppm), Formula C5HCl4"
+202.01762	37486
+202.03542	16639
+202.898	140663	"Theoretical m/z 202.898886, Mass diff 0 (0 ppm), Formula C5H3Cl4"
+203.92937	92787
+204.89516	189353
+205.92628	97640
+206.89232	108926	"Theoretical m/z 206.8938, Mass diff 0.001 (0 ppm), Formula C4H3Cl4O"
+206.97609	435046	"Theoretical m/z 206.976831, Mass diff 0 (0 ppm), Formula C11H5Cl2"
+207.92337	29913
+207.98392	138324
+208.9316	23337	"Theoretical m/z 208.932773, Mass diff 0.001 (0 ppm), Formula C7H4Cl3O"
+208.97319	218327	"Theoretical m/z 208.969158, Mass diff -0.005 (0 ppm), Formula C8H8Cl3"
+208.99174	670375	"Theoretical m/z 208.992481, Mass diff 0 (0 ppm), Formula C11H7Cl2"
+209.98106	153862
+210.1275	255690
+210.96982	37193
+210.98877	323757
+211.13086	47197
+211.99184	48362
+212.98561	43623
+213.89035	115435
+214.89815	162379	"Theoretical m/z 214.898886, Mass diff 0 (0 ppm), Formula C6H3Cl4"
+215.88736	172210
+216.89522	184836
+216.93707	474981	"Theoretical m/z 216.937858, Mass diff 0 (0 ppm), Formula C9H4Cl3"
+217.88449	130188
+217.94017	61288
+218.93411	386336	"Theoretical m/z 218.930186, Mass diff -0.004 (0 ppm), Formula C6H7Cl4"
+219.98372	62304
+220.93141	165654	"Theoretical m/z 220.932225, Mass diff 0.001 (3.69 ppm), SMILES O=CC1CCC(C1)C(C(Cl)Cl)Cl, Annotation [C8H11Cl3O-7H]+, Rule of HR True"
+221.98091	21368
+222.9292	70423	"Theoretical m/z 222.925101, Mass diff -0.005 (0 ppm), Formula C5H7Cl4O"
+225.04266	29687
+226.89813	95898	"Theoretical m/z 226.898886, Mass diff 0 (0 ppm), Formula C7H3Cl4"
+228.8951	123223	"Theoretical m/z 228.891214, Mass diff -0.004 (0 ppm), Formula C4H6Cl5"
+229.94501	96456
+230.8921	77588	"Theoretical m/z 230.8938, Mass diff 0.001 (0 ppm), Formula C6H3Cl4O"
+231.942	95403
+233.939	33374
+234.84355	16907	"Theoretical m/z 234.843719, Mass diff 0 (0.72 ppm), SMILES C1C(C1(C(C(Cl)Cl)Cl)Cl)Cl, Annotation [C5H5Cl5-5H]+, Rule of HR True"
+234.94756	33735	"Theoretical m/z 234.948423, Mass diff 0 (0 ppm), Formula C9H6Cl3O"
+236.01064	17377
+236.84055	36333
+236.98682	65605	"Theoretical m/z 236.987395, Mass diff 0 (0 ppm), Formula C12H7Cl2O"
+237.89015	22523
+238.83766	15051	"Theoretical m/z 238.839178, Mass diff 0.001 (0 ppm), Formula C4Cl5O"
+238.89819	19554
+239.88742	57005
+240.93698	91511	"Theoretical m/z 240.937858, Mass diff 0 (0 ppm), Formula C11H4Cl3"
+241.9033	82652
+242.9342	116973	"Theoretical m/z 242.930186, Mass diff -0.005 (0 ppm), Formula C8H7Cl4"
+242.95277	1053318	"Theoretical m/z 242.953508, Mass diff 0 (0 ppm), Formula C11H6Cl3"
+243.94267	43290
+243.96166	271982
+244.88983	65056	"Theoretical m/z 244.886128, Mass diff -0.004 (0 ppm), Formula C4H6Cl5O"
+244.94983	943396	"Theoretical m/z 244.945836, Mass diff -0.005 (0 ppm), Formula C8H9Cl4"
+245.95869	246944
+246.88713	18150
+246.94687	314425	"Theoretical m/z 246.947878, Mass diff 0.001 (4.08 ppm), SMILES O=CC1CC2C(CCl)C(C(C2(C1))Cl)Cl, Annotation [C10H12Cl3O-6H]+, Rule of HR False"
+246.96527	30216
+247.85133	896008
+247.95462	49544
+248.86015	103692	"Theoretical m/z 248.859913, Mass diff -0.001 (0 ppm), Formula C6H2Cl5"
+248.94389	39204
+249.84836	1445287
+250.85713	313049
+251.8454	979057
+252.89519	308096	"Theoretical m/z 252.891214, Mass diff -0.005 (0 ppm), Formula C6H6Cl5"
+253.8425	331838
+253.94466	107990
+254.89218	154293	"Theoretical m/z 254.8938, Mass diff 0.001 (0 ppm), Formula C8H3Cl4O"
+254.91095	61563	"Theoretical m/z 254.906864, Mass diff -0.005 (0 ppm), Formula C6H8Cl5"
+255.83946	48480
+255.90091	237915
+256.88937	29643
+256.94946	39760	"Theoretical m/z 256.945836, Mass diff -0.004 (0 ppm), Formula C9H9Cl4"
+257.89789	225004
+259.89496	83915
+260.85916	59776	"Theoretical m/z 260.859913, Mass diff 0 (0 ppm), Formula C7H2Cl5"
+261.89209	15854
+262.85632	90483	"Theoretical m/z 262.852241, Mass diff -0.005 (0 ppm), Formula C4H5Cl6"
+263.90598	33824
+264.85306	59563	"Theoretical m/z 264.854828, Mass diff 0.001 (0 ppm), Formula C6H2Cl5O"
+264.91385	23129
+265.90314	34286
+266.91074	33347
+267.90006	14581
+268.90814	17456	"Theoretical m/z 268.90945, Mass diff 0.001 (0 ppm), Formula C9H5Cl4O"
+270.94775	81117	"Theoretical m/z 270.948423, Mass diff 0 (0 ppm), Formula C12H6Cl3O"
+271.95517	28767
+272.94479	83683	"Theoretical m/z 272.940751, Mass diff -0.005 (0 ppm), Formula C9H9Cl4O"
+273.95328	27517
+274.94168	28411
+276.91376	252920	"Theoretical m/z 276.914536, Mass diff 0 (0 ppm), Formula C11H5Cl4"
+277.92239	48285
+278.92941	935692	"Theoretical m/z 278.930186, Mass diff 0 (0 ppm), Formula C11H7Cl4"
+279.93222	128767
+280.92645	933456
+281.21356	22409
+281.92923	124634
+282.92358	403292	"Theoretical m/z 282.925101, Mass diff 0.001 (0 ppm), Formula C10H7Cl4O"
+283.9733	26824
+284.92062	79420
+286.87482	37221	"Theoretical m/z 286.875024, Mass diff 0 (0.71 ppm), SMILES C1C2CC3(C4(C1C4(C2(C3(Cl)Cl)Cl))Cl)Cl, Annotation [C9H7Cl5-3H]+, Rule of HR True"
+288.91382	138897	"Theoretical m/z 288.914536, Mass diff 0 (0 ppm), Formula C12H5Cl4"
+289.92212	53679
+290.86862	34260	"Theoretical m/z 290.870478, Mass diff 0.001 (0 ppm), Formula C8H4Cl5O"
+290.91083	151464
+291.91879	59835
+292.90793	57352	"Theoretical m/z 292.908892, Mass diff 0.001 (3.28 ppm), SMILES O=CC1CC2C(C1)C(C3(C2C3(CCl)Cl)Cl)Cl, Annotation [C11H11Cl4O-6H]+, Rule of HR False"
+293.91565	27152
+304.86645	18245	"Theoretical m/z 304.862806, Mass diff -0.004 (0 ppm), Formula C6H7Cl6O"
+306.92426	104934	"Theoretical m/z 306.924554, Mass diff 0 (0.96 ppm), SMILES O=CC1CC2C3C1C4(C5(C2C5(C3C4(Cl)Cl))Cl)Cl, Annotation [C12H10Cl4O-3H]+, Rule of HR True"
+308.9213	143263
+309.92465	15766
+310.91852	73613
+312.89038	47643	"Theoretical m/z 312.89068, Mass diff 0 (0.96 ppm), SMILES C1CC3C4C1C2C5C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl, Annotation [C11H9Cl5-3H]+, Rule of HR True"
+314.90591	261816	"Theoretical m/z 314.90633, Mass diff 0 (1.33 ppm), SMILES C1CC3C4C1C2C5C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl, Annotation [C11H9Cl5-H]+, Rule of HR True"
+315.90927	32589
+316.90286	345290
+317.90613	39270
+318.89993	210340	"Theoretical m/z 318.901239, Mass diff 0.001 (4.1 ppm), SMILES O=CC1CCC2C1C(C(C2(CCl)Cl)(Cl)Cl)Cl, Annotation [C10H11Cl5O-3H]+, Rule of HR True"
+319.90341	19524
+320.89712	65068
+322.83258	26554
+324.82932	19946	"Theoretical m/z 324.831506, Mass diff 0.002 (0 ppm), Formula C8H3Cl6O"
+324.89056	32276	"Theoretical m/z 324.891214, Mass diff 0 (0 ppm), Formula C12H6Cl5"
+326.88721	51953	"Theoretical m/z 326.883541, Mass diff -0.004 (0 ppm), Formula C9H9Cl6"
+328.88467	39044	"Theoretical m/z 328.885583, Mass diff 0.001 (2.78 ppm), SMILES O=CCC2C3CC1C4C1(C2(C(C34Cl)(Cl)Cl)Cl)Cl, Annotation [C11H9Cl5O-3H]+, Rule of HR True"
+330.88171	19628	"Theoretical m/z 330.878456, Mass diff -0.004 (0 ppm), Formula C8H9Cl6O"
+342.9007	668237	"Theoretical m/z 342.901233, Mass diff 0.001 (1.56 ppm), SMILES O=CC1CC2C4C1C5(C3(C2C3C4(C5(Cl)Cl)Cl)Cl)Cl, Annotation [C12H9Cl5O-H]+, Rule of HR True"
+343.90418	89954
+344.8978	1083137
+345.90112	141636
+346.89484	688884
+347.89832	88802
+348.89182	231349
+349.8952	30482
+350.88846	40168
+
+NAME: Endrin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2205.3
+PRECURSORMZ: 350.88831
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H8Cl6O
+INCHIKEY: DFBKLUNHFCTMDC-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 247
+71.0852	44156
+72.98364	68704	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01476	60374	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02262	84647	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03823	325373	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05389	431896	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+79.92526	37130
+80.05724	47095
+81.03316	1105068	"Theoretical m/z 81.033494, Mass diff 0 (4.13 ppm), SMILES O1C2CCCC12, Annotation [C5H8O-3H]+, Rule of HR True"
+81.92322	51159
+82.04096	207078
+82.9446	104024	"Theoretical m/z 82.94498, Mass diff 0 (4.58 ppm), SMILES C(Cl)Cl, Annotation [CH2Cl2-H]+, Rule of HR True"
+83.97581	64244
+84.09302	78416
+84.98363	130343	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.00694	182539	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.06446	120464	"Theoretical m/z 85.064794, Mass diff 0 (3.93 ppm), SMILES O1C2CCCC12, Annotation [C5H8O+H]+, Rule of HR True"
+86.01469	140261	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.507	97168
+87.02255	123074	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+87.50559	33625
+89.03818	63949	"Theoretical m/z 89.038579, Mass diff 0 (4.48 ppm), SMILES C1CC2CCC1C2, Annotation [C7H12-7H]+, Rule of HR True"
+95.04875	83048	"Theoretical m/z 95.049141, Mass diff 0 (-4.11 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.97568	56647
+96.98357	136937	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01467	118728
+98.10858	95302
+98.99918	246253	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+101.01483	247301	"Theoretical m/z 101.015803, Mass diff 0 (0 ppm), Formula C5H6Cl"
+102.04595	40427	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05376	68219	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+103.48741	52474
+104.48593	43963
+105.03303	41909	"Theoretical m/z 105.03404, Mass diff 0 (0 ppm), Formula C7H5O"
+105.06945	47082	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.9445	146522	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+107.04867	47600	"Theoretical m/z 107.049141, Mass diff 0 (-4.4 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+107.97565	82870
+108.05648	34048	"Theoretical m/z 108.056967, Mass diff 0 (4.51 ppm), SMILES O2C3C1CCC(C1)C23, Annotation [C7H10O-2H]+, Rule of HR False"
+108.94151	175278
+108.98354	78731	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+110.01466	30656
+110.99911	94232	"Theoretical m/z 111.000153, Mass diff 0 (0 ppm), Formula C6H4Cl"
+113.01472	376508	"Theoretical m/z 113.015803, Mass diff 0.001 (0 ppm), Formula C6H6Cl"
+114.0459	37613
+115.01176	125021
+115.05371	127518	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.9054	80957	"Theoretical m/z 116.906558, Mass diff 0.001 (0 ppm), Formula CCl3"
+118.90247	94046
+119.97558	51768
+120.98335	106103	"Theoretical m/z 120.984503, Mass diff 0.001 (0 ppm), Formula C7H2Cl"
+121.06416	72736	"Theoretical m/z 121.06534, Mass diff 0.001 (0 ppm), Formula C8H9O"
+122.99899	97101	"Theoretical m/z 123.000153, Mass diff 0.001 (0 ppm), Formula C7H4Cl"
+125.01472	56652	"Theoretical m/z 125.015803, Mass diff 0.001 (0 ppm), Formula C7H6Cl"
+126.0458	56938
+129.00946	59148	"Theoretical m/z 129.010717, Mass diff 0.001 (0 ppm), Formula C6H6ClO"
+129.06932	77817	"Theoretical m/z 129.070425, Mass diff 0.001 (0 ppm), Formula C10H9"
+129.93657	37795
+130.94437	83961	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.08482	33866
+131.93359	45010
+132.01999	43179
+132.96002	184741	"Theoretical m/z 132.96118, Mass diff 0.001 (0 ppm), Formula C5H3Cl2"
+132.98329	56278	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+134.97565	204368	"Theoretical m/z 134.976831, Mass diff 0.001 (0 ppm), Formula C5H5Cl2"
+136.00678	78536
+136.97266	80449
+137.03793	216722	"Theoretical m/z 137.039125, Mass diff 0.001 (0 ppm), Formula C11H5"
+138.04575	115672
+139.00508	77676
+139.05357	442467	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+140.0613	62527
+140.90533	96608	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+141.00217	31165
+142.90236	132100
+144.94142	62475
+145.9677	73321
+146.97556	489055	"Theoretical m/z 146.976831, Mass diff 0.001 (0 ppm), Formula C6H5Cl2"
+146.9988	107130	"Theoretical m/z 147.000153, Mass diff 0.001 (0 ppm), Formula C9H4Cl"
+147.96486	120061
+148.9726	346586
+149.02257	522794
+150.02594	29881
+150.95183	113865
+151.01164	73234
+156.95976	75272	"Theoretical m/z 156.96118, Mass diff 0.001 (0 ppm), Formula C7H3Cl2"
+158.97546	153033	"Theoretical m/z 158.976831, Mass diff 0.001 (0 ppm), Formula C7H5Cl2"
+160.00671	65783
+160.9725	86812
+162.02225	114471
+162.97028	51586	"Theoretical m/z 162.971745, Mass diff 0.001 (0 ppm), Formula C6H5Cl2O"
+164.90523	28957	"Theoretical m/z 164.906558, Mass diff 0.001 (0 ppm), Formula C5Cl3"
+166.92078	159265	"Theoretical m/z 166.922208, Mass diff 0.001 (0 ppm), Formula C5H2Cl3"
+168.91783	153779
+169.96759	134455
+170.93372	92311
+170.99872	49555	"Theoretical m/z 171.000153, Mass diff 0.001 (0 ppm), Formula C11H4Cl"
+171.96462	118590
+172.96584	51936
+173.01436	545985	"Theoretical m/z 173.015803, Mass diff 0.001 (0 ppm), Formula C11H6Cl"
+174.02234	93220
+174.97026	110701	"Theoretical m/z 174.971745, Mass diff 0.001 (0 ppm), Formula C7H5Cl2O"
+175.01137	380280	"Theoretical m/z 175.008131, Mass diff -0.004 (0 ppm), Formula C8H9Cl2"
+176.96745	101927	"Theoretical m/z 176.964073, Mass diff -0.004 (0 ppm), Formula C4H8Cl3O"
+177.02713	33218
+179.92857	96946
+180.93637	251725	"Theoretical m/z 180.937858, Mass diff 0.001 (0 ppm), Formula C6H4Cl3"
+181.92564	158623
+182.97534	471387	"Theoretical m/z 182.976831, Mass diff 0.001 (0 ppm), Formula C9H5Cl2"
+183.96426	75621
+184.97237	241174	"Theoretical m/z 184.969158, Mass diff -0.004 (0 ppm), Formula C6H8Cl3"
+190.92065	311253	"Theoretical m/z 190.922208, Mass diff 0.001 (0 ppm), Formula C7H2Cl3"
+192.91774	562180	"Theoretical m/z 192.914536, Mass diff -0.004 (0 ppm), Formula C4H5Cl4"
+192.9363	263332	"Theoretical m/z 192.937858, Mass diff 0.001 (0 ppm), Formula C7H4Cl3"
+193.96751	98768
+194.93336	359537	"Theoretical m/z 194.930186, Mass diff -0.004 (0 ppm), Formula C4H7Cl4"
+195.94139	66022
+195.98315	239435
+196.93053	110977	"Theoretical m/z 196.932773, Mass diff 0.002 (0 ppm), Formula C6H4Cl3O"
+196.9911	33700	"Theoretical m/z 196.992481, Mass diff 0.001 (0 ppm), Formula C10H7Cl2"
+197.98015	105494
+200.88165	95577
+202.01695	41671
+202.87872	137898
+203.92841	160184
+204.87592	152713	"Theoretical m/z 204.87815, Mass diff 0.002 (0 ppm), Formula C4HCl4O"
+204.93649	94281	"Theoretical m/z 204.937858, Mass diff 0.001 (0 ppm), Formula C8H4Cl3"
+205.92558	187951
+206.91551	32197	"Theoretical m/z 206.917123, Mass diff 0.001 (0 ppm), Formula C7H2Cl3O"
+206.93344	159958
+206.97527	454937	"Theoretical m/z 206.976831, Mass diff 0.001 (0 ppm), Formula C11H5Cl2"
+207.03131	76030
+207.92264	74267
+207.98317	222970
+208.93094	140357	"Theoretical m/z 208.932773, Mass diff 0.001 (0 ppm), Formula C7H4Cl3O"
+208.9723	322319	"Theoretical m/z 208.969158, Mass diff -0.004 (0 ppm), Formula C8H8Cl3"
+208.99092	904294	"Theoretical m/z 208.992481, Mass diff 0.001 (0 ppm), Formula C11H7Cl2"
+209.98024	210769
+210.92821	93068	"Theoretical m/z 210.925101, Mass diff -0.004 (0 ppm), Formula C4H7Cl4O"
+210.98796	413686
+211.99588	43067
+212.9852	45077
+213.88945	222278
+214.89737	100325	"Theoretical m/z 214.898886, Mass diff 0.001 (0 ppm), Formula C6H3Cl4"
+215.88657	280436
+216.93626	437911	"Theoretical m/z 216.937858, Mass diff 0.001 (0 ppm), Formula C9H4Cl3"
+217.88359	196204
+217.93956	43177
+218.93329	407366	"Theoretical m/z 218.930186, Mass diff -0.004 (0 ppm), Formula C6H7Cl4"
+219.88065	32038
+219.93634	53942
+220.9304	160000	"Theoretical m/z 220.932773, Mass diff 0.002 (0 ppm), Formula C8H4Cl3O"
+224.88158	45372	"Theoretical m/z 224.883236, Mass diff 0.001 (0 ppm), Formula C7HCl4"
+225.88969	87105
+226.89731	209613	"Theoretical m/z 226.898886, Mass diff 0.001 (0 ppm), Formula C7H3Cl4"
+227.88649	110456
+228.89441	229052
+229.88367	56554
+229.94398	137103
+230.8916	105360	"Theoretical m/z 230.8938, Mass diff 0.002 (0 ppm), Formula C6H3Cl4O"
+231.94101	132525
+233.93825	34078
+234.84261	225561	"Theoretical m/z 234.843713, Mass diff 0.001 (4.7 ppm), SMILES C1(=C(C(C(C1Cl)Cl)Cl)Cl)Cl, Annotation [C5H3Cl5-3H]+, Rule of HR True"
+234.97041	33574	"Theoretical m/z 234.971745, Mass diff 0.001 (0 ppm), Formula C12H5Cl2O"
+235.978	210533
+236.83964	359770
+236.9861	102825	"Theoretical m/z 236.987395, Mass diff 0.001 (0 ppm), Formula C12H7Cl2O"
+237.84286	36087
+237.9749	136391
+238.83668	242751	"Theoretical m/z 238.839178, Mass diff 0.002 (0 ppm), Formula C4Cl5O"
+238.89722	84839	"Theoretical m/z 238.898335, Mass diff 0.001 (4.67 ppm), SMILES C1CC2C(C1)C(C(C2Cl)(Cl)Cl)Cl, Annotation [C8H10Cl4-7H]+, Rule of HR True"
+238.98323	54561
+239.88644	64740
+240.83365	80023
+240.89414	142373	"Theoretical m/z 240.891214, Mass diff -0.003 (0 ppm), Formula C5H6Cl5"
+241.88362	67872
+241.90251	45786
+242.89162	132763	"Theoretical m/z 242.8938, Mass diff 0.002 (0 ppm), Formula C7H3Cl4O"
+242.95183	1522071	"Theoretical m/z 242.953508, Mass diff 0.001 (0 ppm), Formula C11H6Cl3"
+243.96028	435014
+244.88899	30404
+244.94887	1452671
+245.95744	406255
+246.94592	536318
+246.96526	103157
+247.85033	185761
+247.95459	119682
+248.85867	91519	"Theoretical m/z 248.859359, Mass diff 0.001 (2.77 ppm), SMILES C1CC(CCl)(C(C1Cl)(Cl)Cl)Cl, Annotation [C6H7Cl5-5H]+, Rule of HR True"
+248.94299	76580
+249.84732	316553
+250.89714	322065	"Theoretical m/z 250.898886, Mass diff 0.001 (0 ppm), Formula C9H3Cl4"
+251.8445	229349
+252.89421	341222
+253.84158	49524
+253.94394	35721
+254.89133	203174	"Theoretical m/z 254.8938, Mass diff 0.002 (0 ppm), Formula C8H3Cl4O"
+254.9101	69714
+255.94125	43008
+256.88876	66619	"Theoretical m/z 256.886128, Mass diff -0.003 (0 ppm), Formula C5H6Cl5O"
+260.85818	1681579	"Theoretical m/z 260.859369, Mass diff 0.001 (4.56 ppm), SMILES C1(=C(C2(CCC1(C2Cl)Cl)Cl)Cl)Cl, Annotation [C7H5Cl5-3H]+, Rule of HR True"
+261.86142	106344
+262.85519	2774326	"Theoretical m/z 262.852241, Mass diff -0.003 (0 ppm), Formula C4H5Cl6"
+263.85837	209532
+264.85226	1781099	"Theoretical m/z 264.854828, Mass diff 0.002 (0 ppm), Formula C6H2Cl5O"
+264.91272	34343	"Theoretical m/z 264.913975, Mass diff 0.001 (4.74 ppm), SMILES C1CC2CC1C3C2C(C(C3Cl)(Cl)Cl)Cl, Annotation [C10H12Cl4-7H]+, Rule of HR True"
+265.85541	175811
+266.84924	558632
+266.90997	45055	"Theoretical m/z 266.906864, Mass diff -0.004 (0 ppm), Formula C7H8Cl5"
+267.85257	58086
+268.84662	86841
+270.94666	234867	"Theoretical m/z 270.948423, Mass diff 0.001 (0 ppm), Formula C12H6Cl3O"
+271.95532	67725
+272.94373	240239	"Theoretical m/z 272.940751, Mass diff -0.004 (0 ppm), Formula C9H9Cl4O"
+273.95279	76133
+274.87412	64168	"Theoretical m/z 274.875564, Mass diff 0.001 (0 ppm), Formula C8H4Cl5"
+274.9407	91493
+275.86301	36019
+276.87097	98692	"Theoretical m/z 276.867891, Mass diff -0.004 (0 ppm), Formula C5H7Cl6"
+276.9126	260898	"Theoretical m/z 276.914536, Mass diff 0.001 (0 ppm), Formula C11H5Cl4"
+277.92047	51500
+278.86786	63616	"Theoretical m/z 278.870478, Mass diff 0.002 (0 ppm), Formula C7H4Cl5O"
+278.90988	279928	"Theoretical m/z 278.906864, Mass diff -0.004 (0 ppm), Formula C8H8Cl5"
+278.92828	1091216	"Theoretical m/z 278.930186, Mass diff 0.001 (0 ppm), Formula C11H7Cl4"
+279.93066	114150
+280.90704	127742	"Theoretical m/z 280.90945, Mass diff 0.002 (0 ppm), Formula C10H5Cl4O"
+280.92538	1136761
+281.92822	78526
+282.92242	542975
+283.92624	37790
+284.91962	119216
+288.91266	54065	"Theoretical m/z 288.914536, Mass diff 0.001 (0 ppm), Formula C12H5Cl4"
+290.91	43431
+291.91748	34447
+306.92306	133180	"Theoretical m/z 306.924554, Mass diff 0.001 (4.87 ppm), SMILES O1C2C1C3CC2C5C3C4(C(=C(C5(C4)Cl)Cl)Cl)Cl, Annotation [C12H10Cl4O-3H]+, Rule of HR True"
+308.92001	195815
+310.91742	104240
+312.88895	60486
+314.90472	350922
+315.93558	35849
+316.90161	484119
+317.93268	29112
+318.89877	292555	"Theoretical m/z 318.901778, Mass diff 0.002 (0 ppm), Formula C10H8Cl5O"
+320.896	92330
+342.89932	191609
+344.89645	305969
+346.89331	198975
+348.89053	60985
+
+NAME: 4,4'-Dichlorodiphenyldichloroethylene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2171.7
+PRECURSORMZ: 318.93619
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H8Cl4
+INCHIKEY: UCNVFOCBFJOQAL-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 67
+70.0774	155183
+71.0852	103739
+74.01478	124351	"Theoretical m/z 74.015103, Mass diff 0 (4.36 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02262	167447	"Theoretical m/z 75.022928, Mass diff 0 (4.1 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+84.09302	210845
+85.1008	366760
+87.02254	593616	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+87.52422	75802
+88.03036	293922	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+92.00304	82254
+98.01471	150577
+98.10858	179652
+99.02249	203350	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+105.01083	854421
+105.51256	141673
+106.00932	279741
+109.99128	146876
+110.98983	105478
+121.9912	364487
+122.49508	145299
+122.9897	501122
+122.999	295113	"Theoretical m/z 122.999605, Mass diff 0.001 (4.92 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-3H]+, Rule of HR True"
+123.4936	115675
+123.99761	175720
+125.03805	86432	"Theoretical m/z 125.039125, Mass diff 0.001 (0 ppm), Formula C10H5"
+126.9717	69710
+137.03792	73364	"Theoretical m/z 137.039125, Mass diff 0.001 (0 ppm), Formula C11H5"
+139.97943	238095
+140.97795	215446
+141.97646	85041
+149.02255	142683
+150.04562	215113
+160.00667	74849
+163.05324	104871	"Theoretical m/z 163.054775, Mass diff 0.001 (0 ppm), Formula C13H7"
+169.96754	137050
+171.96463	99955
+174.04552	414589
+175.05333	354240	"Theoretical m/z 175.054775, Mass diff 0.001 (0 ppm), Formula C14H7"
+176.06113	1549867	"Theoretical m/z 176.0626, Mass diff 0.001 (0 ppm), Formula C14H8"
+177.06456	229644
+210.02205	749434
+211.02994	238680	"Theoretical m/z 211.031453, Mass diff 0.001 (0 ppm), Formula C14H8Cl"
+212.01906	294488
+213.02696	70900
+232.99092	204499	"Theoretical m/z 232.992481, Mass diff 0.001 (0 ppm), Formula C13H7Cl2"
+234.98775	99469
+243.98271	71308
+244.99086	124693	"Theoretical m/z 244.991937, Mass diff 0.001 (4.4 ppm), SMILES C=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl, Annotation [C14H10Cl2-3H]+, Rule of HR True"
+245.9986	6905354
+247.00192	1136909
+247.99559	4411794
+248.99889	683810
+249.99263	738276
+250.99591	112091
+279.95947	364614
+280.96762	545159	"Theoretical m/z 280.968616, Mass diff 0.001 (3.55 ppm), SMILES C=1C=C(C=CC=1C(=CCl)C2=CC=C(C=C2)Cl)Cl, Annotation [C14H9Cl3-H]+, Rule of HR True"
+281.95651	423240
+282.96472	510401
+283.95361	175396
+284.96176	140919
+315.93582	2516906
+316.93927	378792
+317.9328	3247069
+318.93619	500275
+319.92984	1518139
+320.93307	221463
+321.92688	356383
+
+NAME: Methoxychlor
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2475.7
+PRECURSORMZ: 312.0289
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H15Cl3O2
+INCHIKEY: IAKOZHOLGAGEJT-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 41
+84.09302	143884	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.10079	182252	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+89.03818	124691	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+113.55257	241982
+115.0537	262049	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+132.05632	82288	"Theoretical m/z 132.057515, Mass diff 0.001 (0 ppm), Formula C9H8O"
+139.05351	121994	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+141.0692	281902	"Theoretical m/z 141.070425, Mass diff 0.001 (0 ppm), Formula C11H9"
+151.05345	97496	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.06126	507600
+153.06911	373220	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+165.06905	282003	"Theoretical m/z 165.070425, Mass diff 0.001 (0 ppm), Formula C13H9"
+169.0639	414728	"Theoretical m/z 169.06534, Mass diff 0.001 (0 ppm), Formula C12H9O"
+180.05606	89121
+181.06383	288896	"Theoretical m/z 181.06534, Mass diff 0.001 (0 ppm), Formula C13H9O"
+182.07176	104284	"Theoretical m/z 182.073165, Mass diff 0.001 (0 ppm), Formula C13H10O"
+183.07947	100629	"Theoretical m/z 183.08099, Mass diff 0.001 (0 ppm), Formula C13H11O"
+184.08731	255718
+195.07942	381974
+196.08725	443373
+197.05873	241474	"Theoretical m/z 197.060255, Mass diff 0.001 (0 ppm), Formula C13H9O2"
+209.01056	93357	"Theoretical m/z 209.01361, Mass diff 0.003 (0 ppm), Formula C8H11Cl2O2"
+209.05879	88237	"Theoretical m/z 209.060255, Mass diff 0.001 (0 ppm), Formula C14H9O2"
+211.07436	118082	"Theoretical m/z 211.075357, Mass diff 0.001 (4.72 ppm), SMILES OC1=CC=C(C=C1)CC2=CC=C(OC)C=C2, Annotation [C14H14O2-3H]+, Rule of HR True"
+212.08218	617200	"Theoretical m/z 212.083182, Mass diff 0.001 (4.72 ppm), SMILES OC1=CC=C(C=C1)CC2=CC=C(OC)C=C2, Annotation [C14H14O2-2H]+, Rule of HR False"
+213.08527	93160
+223.0743	223612	"Theoretical m/z 223.075905, Mass diff 0.001 (0 ppm), Formula C15H11O2"
+224.08241	172225	"Theoretical m/z 224.08373, Mass diff 0.001 (0 ppm), Formula C15H12O2"
+225.04186	138854	"Theoretical m/z 225.04491, Mass diff 0.003 (0 ppm), Formula C9H15Cl2O2"
+227.10552	8196691
+228.10883	1319270
+229.11247	100503
+238.09766	325510
+239.10605	218038	"Theoretical m/z 239.107205, Mass diff 0.001 (0 ppm), Formula C16H15O2"
+240.1142	128209
+259.05084	105538	"Theoretical m/z 259.052582, Mass diff 0.001 (0 ppm), Formula C15H12ClO2"
+273.06659	88608	"Theoretical m/z 273.067682, Mass diff 0.001 (4 ppm), SMILES O(C1=CC=C(C=C1)C(C2=CC=C(OC)C=C2)CCl)C, Annotation [C16H17ClO2-3H]+, Rule of HR True"
+274.0744	453106
+275.07715	106237
+276.07126	151557
+308.0351	117140
+
+NAME: 4,4'-Dichlorodiphenyldichloroethane
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2264.4
+PRECURSORMZ: 319.92914
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H10Cl4
+INCHIKEY: AHJKRLASYNVKDZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 60
+70.0774	151389	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.0852	129111	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+74.01475	68182	"Theoretical m/z 74.015103, Mass diff 0 (4.76 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02264	182423	"Theoretical m/z 75.022928, Mass diff 0 (3.83 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03825	64244	"Theoretical m/z 77.038578, Mass diff 0 (4.25 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+81.5265	166685
+84.09302	190393
+85.1008	446252
+86.10413	67800
+87.02257	146372	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03038	403611	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03819	56414	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+95.08514	53346	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+96.03342	186005
+98.10858	112486
+99.02248	94026	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+99.11639	128040
+99.51475	92305
+102.04595	106287	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+105.01081	56373
+122.99899	67438	"Theoretical m/z 122.999605, Mass diff 0.001 (5 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-3H]+, Rule of HR True"
+129.06924	70217	"Theoretical m/z 129.070425, Mass diff 0.001 (0 ppm), Formula C10H9"
+133.01288	111729
+136.00679	156501
+137.0146	124047	"Theoretical m/z 137.015803, Mass diff 0.001 (0 ppm), Formula C8H6Cl"
+138.0038	78206
+139.05359	89350	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+149.0226	73457
+150.04558	102389
+151.05347	66617	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+163.05339	324842	"Theoretical m/z 163.054775, Mass diff 0.001 (0 ppm), Formula C13H7"
+164.0612	334224
+165.06903	2093894	"Theoretical m/z 165.070425, Mass diff 0.001 (0 ppm), Formula C13H9"
+166.0724	298921
+174.04549	69127
+175.05331	65993	"Theoretical m/z 175.054775, Mass diff 0.001 (0 ppm), Formula C14H7"
+176.06111	530616	"Theoretical m/z 176.0626, Mass diff 0.001 (0 ppm), Formula C14H8"
+177.06892	203756	"Theoretical m/z 177.070425, Mass diff 0.001 (0 ppm), Formula C14H9"
+178.07678	301863	"Theoretical m/z 178.07825, Mass diff 0.001 (0 ppm), Formula C14H10"
+179.08009	57635
+199.02988	760084
+200.03772	592682
+201.02693	324644	"Theoretical m/z 201.023781, Mass diff -0.004 (0 ppm), Formula C10H11Cl2"
+202.0348	196313
+212.03769	790094
+213.04096	144431
+214.03473	220219
+232.99081	53460	"Theoretical m/z 232.992481, Mass diff 0.001 (0 ppm), Formula C13H7Cl2"
+235.00647	5249044	"Theoretical m/z 235.007587, Mass diff 0.001 (4.75 ppm), SMILES C=1C=C(C=CC=1CC2=CC=C(C=C2)Cl)Cl, Annotation [C13H10Cl2-H]+, Rule of HR True"
+236.00978	741282
+237.00345	3400773
+238.00678	450368
+239.00049	580053
+240.00397	75159
+245.99864	115654
+247.00679	128937	"Theoretical m/z 247.007577, Mass diff 0.001 (3.19 ppm), SMILES C=1C=C(C=CC=1C(C2=CC=C(C=C2)Cl)C)Cl, Annotation [C14H12Cl2-3H]+, Rule of HR True"
+247.99574	149639
+249.00384	96025
+281.97519	258360
+283.9722	246609
+
+NAME: 4,4'-Dichlorodiphenyltrichloroethane 
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2348.1
+PRECURSORMZ: 321.927
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H9Cl5
+INCHIKEY: YVGGHNCTFXOJCH-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 68
+70.0774	182479
+71.0852	132671
+74.01475	112989	"Theoretical m/z 74.015103, Mass diff 0 (4.76 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02261	249224	"Theoretical m/z 75.022928, Mass diff 0 (4.23 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-3H]+, Rule of HR True"
+81.5265	211116
+84.09302	213187
+85.10079	350260
+87.02257	323830	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03037	540792	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+93.0109	90285
+96.03341	257532
+98.01468	97101
+99.02249	206797	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+99.51475	104288
+105.01083	313854
+106.00937	201332
+106.01862	86757
+111.02238	86741	"Theoretical m/z 111.023475, Mass diff 0.001 (0 ppm), Formula C9H3"
+122.99902	285655	"Theoretical m/z 122.999605, Mass diff 0.001 (4.75 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-3H]+, Rule of HR True"
+123.99752	121356
+136.00679	346716
+137.03801	122636	"Theoretical m/z 137.039125, Mass diff 0.001 (0 ppm), Formula C11H5"
+138.00385	155373
+149.0226	113058
+150.04568	172668
+151.05348	83713	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+163.05336	532502	"Theoretical m/z 163.054775, Mass diff 0.001 (0 ppm), Formula C13H7"
+164.06113	494066
+165.06903	3201406	"Theoretical m/z 165.070425, Mass diff 0.001 (0 ppm), Formula C13H9"
+166.0724	466219
+169.96754	97882
+170.97536	100060	"Theoretical m/z 170.976831, Mass diff 0.001 (0 ppm), Formula C8H5Cl2"
+172.97228	105234	"Theoretical m/z 172.969158, Mass diff -0.004 (0 ppm), Formula C5H8Cl3"
+174.04552	182006
+175.05319	165950	"Theoretical m/z 175.054775, Mass diff 0.001 (0 ppm), Formula C14H7"
+176.06111	992239	"Theoretical m/z 176.0626, Mass diff 0.001 (0 ppm), Formula C14H8"
+177.06905	259892	"Theoretical m/z 177.070425, Mass diff 0.001 (0 ppm), Formula C14H9"
+178.07666	128711
+199.02988	1171017
+200.03772	933564
+201.02692	489479
+202.03476	307637
+210.02211	207521
+211.02995	86870	"Theoretical m/z 211.031453, Mass diff 0.001 (0 ppm), Formula C14H8Cl"
+212.03767	1230874
+213.04086	190921
+214.03471	386574
+232.99083	85850	"Theoretical m/z 232.992481, Mass diff 0.001 (0 ppm), Formula C13H7Cl2"
+235.00645	8248009	"Theoretical m/z 235.007587, Mass diff 0.001 (4.84 ppm), SMILES C1=CC=C(C(=C1)CC2=CC=C(C=C2)Cl)Cl, Annotation [C13H10Cl2-H]+, Rule of HR True"
+236.00978	1156442
+237.00345	5374692
+238.00676	755042
+239.00047	904912
+240.004	128646
+245.9986	1363760
+247.0018	283697
+247.9956	913012
+249.00378	187348
+249.99268	156837
+280.9675	176132	"Theoretical m/z 280.968622, Mass diff 0.001 (3.99 ppm), SMILES C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)CCl)Cl, Annotation [C14H11Cl3-3H]+, Rule of HR True"
+281.97528	376584
+282.96439	220321
+283.97238	316434
+284.96204	90331
+285.96973	96242
+315.93585	257069
+317.93283	336227
+319.92996	159697
+
+NAME: Tris(4-tert-butylphenyl) phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3270.927
+PRECURSORMZ: 494.25787
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C30H39O4P
+INCHIKEY: LORSVOJSXMHDHF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 36
+77.03858	1168030	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+91.05426	4305622	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+103.05425	961852	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06992	1375163	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04916	3177476	"Theoretical m/z 107.049141, Mass diff 0 (0.18 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05423	4499365	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06202	1293889	"Theoretical m/z 116.062054, Mass diff 0 (0.29 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.06986	1626805	"Theoretical m/z 117.069879, Mass diff 0 (0.16 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+121.10117	980518	"Theoretical m/z 121.101179, Mass diff 0 (0.07 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12+H]+, Rule of HR True"
+121.69753	1240532
+135.08041	2481456	"Theoretical m/z 135.080448, Mass diff 0 (0.28 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+153.00992	1526436	"Theoretical m/z 153.010541, Mass diff 0 (0 ppm), Formula C7H6O2P"
+169.00479	950106	"Theoretical m/z 169.005456, Mass diff 0 (0 ppm), Formula C7H6O3P"
+178.07759	1639251	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.02554	953625	"Theoretical m/z 179.025649, Mass diff 0 (0.61 ppm), SMILES O=POC1=CC=C(C=C1)C(C)C, Annotation [C9H13O2P-5H]+, Rule of HR True"
+181.04117	1788671	"Theoretical m/z 181.041299, Mass diff 0 (0.71 ppm), SMILES O=POC1=CC=C(C=C1)C(C)C, Annotation [C9H13O2P-3H]+, Rule of HR True"
+183.05043	2025380
+197.06607	2711555
+204.07393	1848583
+211.11163	1055548	"Theoretical m/z 211.11229, Mass diff 0 (0 ppm), Formula C15H15O"
+215.02559	1054205	"Theoretical m/z 215.026191, Mass diff 0 (0 ppm), Formula C12H8O2P"
+218.08957	1289991
+232.10521	8888271
+232.6069	2683820
+339.07782	1064418	"Theoretical m/z 339.078621, Mass diff 0 (0 ppm), Formula C19H16O4P"
+367.10916	11536858	"Theoretical m/z 367.109921, Mass diff 0 (0 ppm), Formula C21H20O4P"
+368.11252	2654296
+407.14062	3774163	"Theoretical m/z 407.141221, Mass diff 0 (0 ppm), Formula C24H24O4P"
+408.14423	1050314
+423.17215	5022270	"Theoretical m/z 423.171985, Mass diff 0 (0.39 ppm), SMILES O=P(OC1=CC=CC=C1)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)(C)C, Annotation [C25H29O4P-H]+, Rule of HR True"
+424.17554	1349647
+479.23438	87523200	"Theoretical m/z 479.234577, Mass diff 0 (0.41 ppm), SMILES O=P(OC1=CC=C(C=C1)C(C)C)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C, Annotation [C29H37O4P-H]+, Rule of HR True"
+480.2377	28076012
+481.24066	4730916
+494.25787	11570139	"Theoretical m/z 494.258057, Mass diff 0 (0.38 ppm), SMILES O=P(OC1=CC=C(C=C1)C(C)(C)C)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C, Annotation [C30H39O4P]+, Rule of HR False"
+495.26129	3773766
+
+NAME: Tri-n-butyl-phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1628.1
+PRECURSORMZ: 212.11266
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H27O4P
+INCHIKEY: STCOOQWBFONSKY-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCOP(=O)(OCCCC)OCCCC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 10
+80.97363	807819	"Theoretical m/z 80.973606, Mass diff 0 (0.3 ppm), SMILES O=P(O)O, Annotation [H3O3P-H]+, Rule of HR True"
+81.98147	910267
+98.98419	68846616	"Theoretical m/z 98.98472, Mass diff 0 (0 ppm), Formula H4O4P"
+110.9842	1149639	"Theoretical m/z 110.98472, Mass diff 0 (0 ppm), Formula CH4O4P"
+112.99982	1453962	"Theoretical m/z 113.00037, Mass diff 0 (0 ppm), Formula CH6O4P"
+124.99983	4417554	"Theoretical m/z 125.00037, Mass diff 0 (0 ppm), Formula C2H6O4P"
+127.01547	1074788	"Theoretical m/z 127.01602, Mass diff 0 (0 ppm), Formula C2H8O4P"
+137.03622	2686649	"Theoretical m/z 137.036213, Mass diff 0 (0.05 ppm), SMILES O=P(O)OCCCC, Annotation [C4H11O3P-H]+, Rule of HR True"
+155.04668	4314190	"Theoretical m/z 155.046781, Mass diff 0 (0.65 ppm), SMILES O=P(O)(O)OCCCC, Annotation [C4H11O4P+H]+, Rule of HR True"
+211.10933	1505282	"Theoretical m/z 211.109373, Mass diff 0 (0.2 ppm), SMILES O=P(O)(OCCCC)OCCCC, Annotation [C8H19O4P+H]+, Rule of HR True"
+
+NAME: Tris(1,3-dichloro-2-propyl)phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2338.5
+PRECURSORMZ: 396.90875
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H15Cl6O4P
+INCHIKEY: ASLWPAWFJZFCKF-UHFFFAOYSA-N
+INCHI: 
+SMILES: C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 52
+74.99965	6319492	"Theoretical m/z 74.999605, Mass diff 0 (0.61 ppm), SMILES CCCCl, Annotation [C3H7Cl-3H]+, Rule of HR True"
+76.00298	266814
+76.99667	2874813
+78.99454	285915	"Theoretical m/z 78.994518, Mass diff 0 (0.28 ppm), SMILES OCCCl, Annotation [C2H5ClO-H]+, Rule of HR True"
+80.97364	925590	"Theoretical m/z 80.973606, Mass diff 0 (0.42 ppm), SMILES O=P(O)O, Annotation [H3O3P-H]+, Rule of HR True"
+81.06992	193301	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.9449	503876	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+84.94202	248063
+98.9842	16620463	"Theoretical m/z 98.98472, Mass diff 0 (0 ppm), Formula H4O4P"
+100.98846	210744
+110.97624	283831	"Theoretical m/z 110.976284, Mass diff 0 (0.39 ppm), SMILES C(CCl)CCl, Annotation [C3H6Cl2-H]+, Rule of HR True"
+116.9503	914313	"Theoretical m/z 116.950833, Mass diff 0 (0 ppm), Formula H3ClO3P"
+118.94738	355035	"Theoretical m/z 118.94553, Mass diff -0.002 (0 ppm), Formula C4HCl2"
+122.98415	779259	"Theoretical m/z 122.98472, Mass diff 0 (0 ppm), Formula C2H4O4P"
+134.98419	282861	"Theoretical m/z 134.98472, Mass diff 0 (0 ppm), Formula C3H4O4P"
+136.99983	1463100	"Theoretical m/z 137.00037, Mass diff 0 (0 ppm), Formula C3H6O4P"
+140.99475	454191	"Theoretical m/z 140.995461, Mass diff 0 (0 ppm), Formula C3H6ClO4"
+154.96587	3798854	"Theoretical m/z 154.965936, Mass diff 0 (0.43 ppm), SMILES O=P(O)OC(C)CCl, Annotation [C3H8ClO3P-3H]+, Rule of HR True"
+156.96295	1237961	"Theoretical m/z 156.96118, Mass diff -0.002 (0 ppm), Formula C7H3Cl2"
+158.96078	3250422	"Theoretical m/z 158.961398, Mass diff 0 (0 ppm), Formula C2H5ClO4P"
+160.95784	1065140	"Theoretical m/z 160.956095, Mass diff -0.002 (0 ppm), Formula C6H3Cl2O"
+172.97647	508938	"Theoretical m/z 172.977048, Mass diff 0 (0 ppm), Formula C3H7ClO4P"
+174.97357	183462	"Theoretical m/z 174.971745, Mass diff -0.002 (0 ppm), Formula C7H5Cl2O"
+190.94252	10967628	"Theoretical m/z 190.942615, Mass diff 0 (0.5 ppm), SMILES O=P(O)OC(CCl)CCl, Annotation [C3H7Cl2O3P-H]+, Rule of HR True"
+191.94583	329078
+192.93956	7090506	"Theoretical m/z 192.937858, Mass diff -0.002 (0 ppm), Formula C7H4Cl3"
+193.94292	210495
+194.93662	1143432
+208.95316	4753342	"Theoretical m/z 208.953184, Mass diff 0 (0.12 ppm), SMILES O=P(O)(O)OC(CCl)CCl, Annotation [C3H7Cl2O4P+H]+, Rule of HR True"
+210.95018	3065885	"Theoretical m/z 210.948423, Mass diff -0.002 (0 ppm), Formula C7H6Cl3O"
+212.94724	509498
+246.9688	261515	"Theoretical m/z 246.969376, Mass diff 0 (0 ppm), Formula C6H10Cl2O4P"
+248.96585	186840	"Theoretical m/z 248.963896, Mass diff -0.003 (0 ppm), Formula C9H8Cl2O2P"
+268.92993	3830139	"Theoretical m/z 268.929859, Mass diff 0 (0.26 ppm), SMILES O=P(O)(OCCCl)OC(CCl)CCl, Annotation [C5H10Cl3O4P-H]+, Rule of HR True"
+269.93341	183181
+270.92697	3698660	"Theoretical m/z 270.925101, Mass diff -0.002 (0 ppm), Formula C9H7Cl4O"
+271.93036	211668
+272.92404	1211688	"Theoretical m/z 272.925494, Mass diff 0.001 (0 ppm), Formula C5H9Cl4O4"
+300.91162	231363	"Theoretical m/z 300.911609, Mass diff 0 (0.04 ppm), SMILES O=P(OC(CCl)CCl)OC(CCl)CCl, Annotation [C6H11Cl4O3P-H]+, Rule of HR True"
+302.90863	295260	"Theoretical m/z 302.906687, Mass diff -0.002 (0 ppm), Formula C9H8Cl4OP"
+318.92209	1010514	"Theoretical m/z 318.922193, Mass diff 0 (0.32 ppm), SMILES O=P(O)(OC(CCl)CCl)OC(CCl)CCl, Annotation [C6H11Cl4O4P+H]+, Rule of HR True"
+320.9191	1305208	"Theoretical m/z 320.917252, Mass diff -0.002 (0 ppm), Formula C9H10Cl4O2P"
+322.91614	666370
+358.93481	172166
+378.89883	3685283	"Theoretical m/z 378.898853, Mass diff 0 (0.06 ppm), SMILES O=P(OCCCl)(OC(CCl)CCl)OC(CCl)CCl, Annotation [C8H14Cl5O4P-H]+, Rule of HR True"
+379.90225	293395
+380.89584	5874010
+381.89929	523402
+382.89285	3766356	"Theoretical m/z 382.8945, Mass diff 0.001 (0 ppm), Formula C8H13Cl6O4"
+383.89627	335770
+384.88989	1170477
+386.8865	186789
+
+NAME: Tri-o-cresyl phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2611.2
+PRECURSORMZ: 368.11697
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H21O4P
+INCHIKEY: YSMRWXYRXBRSND-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 62
+77.0386	3494679	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04644	1535856	"Theoretical m/z 78.046403, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05425	1748019	"Theoretical m/z 79.054228, Mass diff 0 (0.28 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+80.06206	328894	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+89.0386	5859728	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04646	3338974	"Theoretical m/z 90.046401, Mass diff 0 (0.66 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05425	9077754	"Theoretical m/z 91.054226, Mass diff 0 (0.27 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05761	770115
+104.06208	1014535	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.03354	984189	"Theoretical m/z 105.03404, Mass diff 0 (0 ppm), Formula C7H5O"
+107.04916	5251498	"Theoretical m/z 107.049141, Mass diff 0 (0.18 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05698	1722634	"Theoretical m/z 108.056969, Mass diff 0 (0.1 ppm), SMILES OC1=CC=CC=C1C, Annotation [C7H8O]+, Rule of HR False"
+109.10123	313558	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+115.05421	288596	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+121.06477	431035	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+136.00728	484156
+141.06982	293847	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+152.00211	410917
+152.06197	904897
+153.00996	426305	"Theoretical m/z 153.009988, Mass diff 0 (0.18 ppm), SMILES O=POC1=CC=CC=C1C, Annotation [C7H9O2P-3H]+, Rule of HR True"
+153.06976	677892	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07759	387554
+164.06201	428268
+165.06981	28852984	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.0731	5465256
+167.07645	538572
+167.08539	809008	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+169.00481	965287	"Theoretical m/z 169.004907, Mass diff 0 (0.57 ppm), SMILES O=P(O)OC1=CC=CC=C1C, Annotation [C7H9O3P-3H]+, Rule of HR True"
+169.10109	314145	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+170.01262	1193316
+171.02045	319652	"Theoretical m/z 171.020557, Mass diff 0 (0.63 ppm), SMILES O=P(O)OC1=CC=CC=C1C, Annotation [C7H9O3P-H]+, Rule of HR True"
+176.06198	418268	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+177.06976	554028	"Theoretical m/z 177.070425, Mass diff 0 (0 ppm), Formula C14H9"
+178.07764	9948807	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08536	14770896	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.09316	11547756
+181.10094	14969989	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+182.10437	2780407
+183.0802	487897	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+184.99971	576992	"Theoretical m/z 184.999826, Mass diff 0 (0.63 ppm), SMILES O=P(O)(O)OC1=CC=CC=C1C, Annotation [C7H9O4P-3H]+, Rule of HR True"
+187.01535	636511	"Theoretical m/z 187.015476, Mass diff 0 (0.67 ppm), SMILES O=P(O)(O)OC1=CC=CC=C1C, Annotation [C7H9O4P-H]+, Rule of HR True"
+189.03099	5425252	"Theoretical m/z 189.031126, Mass diff 0 (0.72 ppm), SMILES O=P(O)(O)OC1=CC=CC=C1C, Annotation [C7H9O4P+H]+, Rule of HR True"
+190.03432	360507
+195.08031	1563842	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+196.08815	409962
+197.09598	2090891	"Theoretical m/z 197.09664, Mass diff 0 (0 ppm), Formula C14H13O"
+198.09938	321514
+243.05695	333569	"Theoretical m/z 243.057491, Mass diff 0 (0 ppm), Formula C14H12O2P"
+255.117	375398	"Theoretical m/z 255.117375, Mass diff 0 (0 ppm), Formula C20H15"
+259.05194	831835	"Theoretical m/z 259.052406, Mass diff 0 (0 ppm), Formula C14H12O3P"
+261.06754	3042662	"Theoretical m/z 261.067524, Mass diff 0 (0.06 ppm), SMILES O=P(OC1=CC=CC=C1C)OC2=CC=CC=C2C, Annotation [C14H15O3P-H]+, Rule of HR True"
+262.07083	450594
+263.04681	441532	"Theoretical m/z 263.046772, Mass diff 0 (0.15 ppm), SMILES O=P(O)(OC=1C=CC=CC=1)OC2=CC=CC=C2C, Annotation [C13H13O4P-H]+, Rule of HR True"
+275.04688	1005385	"Theoretical m/z 275.04732, Mass diff 0 (0 ppm), Formula C14H12O4P"
+277.06238	13086023	"Theoretical m/z 277.062427, Mass diff 0 (0.17 ppm), SMILES O=P(O)(OC1=CC=CC=C1C)OC2=CC=CC=C2C, Annotation [C14H15O4P-H]+, Rule of HR True"
+278.06574	1981079
+353.09357	1792826	"Theoretical m/z 353.093738, Mass diff 0 (0.48 ppm), SMILES O=P(OC=1C=CC=CC=1)(OC2=CC=CC=C2C)OC3=CC=CC=C3C, Annotation [C20H19O4P-H]+, Rule of HR True"
+354.09705	381944
+367.10919	1564188	"Theoretical m/z 367.109921, Mass diff 0 (0 ppm), Formula C21H20O4P"
+368.11697	15393759	"Theoretical m/z 368.117188, Mass diff 0 (0.59 ppm), SMILES O=P(OC1=CC=CC=C1C)(OC2=CC=CC=C2C)OC3=CC=CC=C3C, Annotation [C21H21O4P]+, Rule of HR False"
+369.12039	3486078
+370.12308	466094
+
+NAME: Tri-m-cresyl phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2686.6
+PRECURSORMZ: 368.1161
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H21O4P
+INCHIKEY: RMLPZKRPSQVRAB-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 50
+77.03859	2783231	"Theoretical m/z 77.038578, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04645	1165778	"Theoretical m/z 78.046403, Mass diff 0 (0.61 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05425	1432969	"Theoretical m/z 79.054228, Mass diff 0 (0.28 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+89.0386	3256082	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04646	2508498	"Theoretical m/z 90.046401, Mass diff 0 (0.66 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05426	6381658	"Theoretical m/z 91.054226, Mass diff 0 (0.38 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05762	578392
+105.06993	499457	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04917	1988785	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05698	1726781	"Theoretical m/z 108.056969, Mass diff 0 (0.1 ppm), SMILES OC1=CC=CC(=C1)C, Annotation [C7H8O]+, Rule of HR False"
+152.06198	835536
+153.00995	865611	"Theoretical m/z 153.009988, Mass diff 0 (0.25 ppm), SMILES O=POC1=CC=CC(=C1)C, Annotation [C7H9O2P-3H]+, Rule of HR True"
+153.06981	914124	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07758	529340
+155.08543	600169	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+165.06981	12478272	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07317	2421268
+167.08543	506740	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+178.07762	3525912	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08534	3975984	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.0932	2449290
+181.06467	2313755	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+182.0725	2277444	"Theoretical m/z 182.073165, Mass diff 0 (0 ppm), Formula C13H10O"
+183.08032	2480166	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+195.08034	2291041	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+196.08818	2531531
+197.09598	2784015	"Theoretical m/z 197.09664, Mass diff 0 (0 ppm), Formula C14H13O"
+198.10382	2481409
+239.0855	659276	"Theoretical m/z 239.086075, Mass diff 0 (0 ppm), Formula C19H11"
+240.09375	570012
+242.04922	912943
+243.05696	6872702	"Theoretical m/z 243.057491, Mass diff 0 (0 ppm), Formula C14H12O2P"
+244.06024	1045748
+245.03615	451218	"Theoretical m/z 245.036203, Mass diff 0 (0.22 ppm), SMILES O=P(OC=1C=CC=CC=1)OC2=CC=CC(=C2)C, Annotation [C13H13O3P-3H]+, Rule of HR True"
+254.10941	603830
+255.11702	1555755	"Theoretical m/z 255.117375, Mass diff 0 (0 ppm), Formula C20H15"
+256.12491	449362
+259.05191	1073709	"Theoretical m/z 259.052406, Mass diff 0 (0 ppm), Formula C14H12O3P"
+260.05981	3042942
+261.06769	6149880	"Theoretical m/z 261.067524, Mass diff 0 (0.64 ppm), SMILES O=P(OC1=CC=CC(=C1)C)OC2=CC=CC(=C2)C, Annotation [C14H15O3P-H]+, Rule of HR True"
+262.07095	971911
+269.1326	607443	"Theoretical m/z 269.133026, Mass diff 0 (0 ppm), Formula C21H17"
+270.14117	480006
+277.06247	2045323	"Theoretical m/z 277.062427, Mass diff 0 (0.15 ppm), SMILES O=P(O)(OC1=CC=CC(=C1)C)OC2=CC=CC(=C2)C, Annotation [C14H15O4P-H]+, Rule of HR True"
+349.09869	464303	"Theoretical m/z 349.099356, Mass diff 0 (0 ppm), Formula C21H18O3P"
+353.09351	1297450	"Theoretical m/z 353.093738, Mass diff 0 (0.65 ppm), SMILES O=P(OC=1C=CC=CC=1)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C, Annotation [C20H19O4P-H]+, Rule of HR True"
+367.10922	33673500	"Theoretical m/z 367.109921, Mass diff 0 (0 ppm), Formula C21H20O4P"
+368.11612	43129092	"Theoretical m/z 368.117188, Mass diff 0.001 (2.9 ppm), SMILES O=P(OC1=CC=CC(=C1)C)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C, Annotation [C21H21O4P]+, Rule of HR False"
+369.1203	8546677
+370.12341	1102735
+
+NAME: Tri-p-cresyl-phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2784
+PRECURSORMZ: 368.1161
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H21O4P
+INCHIKEY: BOSMZFBHAYFUBJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 51
+77.0386	4740964	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04645	1433482	"Theoretical m/z 78.046403, Mass diff 0 (0.61 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05426	3240402	"Theoretical m/z 79.054228, Mass diff 0 (0.41 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+80.06208	553811	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+89.03861	2214847	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04647	2739229	"Theoretical m/z 90.046401, Mass diff 0 (0.77 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05427	5394835	"Theoretical m/z 91.054226, Mass diff 0 (0.49 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05762	433858
+105.06995	498872	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04917	5816404	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05698	3868492	"Theoretical m/z 108.056969, Mass diff 0 (0.1 ppm), SMILES OC1=CC=C(C=C1)C, Annotation [C7H8O]+, Rule of HR False"
+109.10123	490203	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+152.062	451952
+153.00993	1065027	"Theoretical m/z 153.009988, Mass diff 0 (0.38 ppm), SMILES O=POC1=CC=C(C=C1)C, Annotation [C7H9O2P-3H]+, Rule of HR True"
+153.06982	663407	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.01773	549450
+154.07762	435651
+155.08545	647147	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+165.06984	8800424	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07321	1589152
+178.07765	1118062	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08542	2416409	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.09328	1180659
+181.10106	3016458	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+182.07251	3178341	"Theoretical m/z 182.073165, Mass diff 0 (0 ppm), Formula C13H10O"
+183.08034	2899404	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+195.08035	1959158	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+196.0882	2056757
+197.09602	2925162	"Theoretical m/z 197.09664, Mass diff 0 (0 ppm), Formula C14H13O"
+198.10384	3994281
+199.10712	577494
+242.04915	867482
+243.05698	5912826	"Theoretical m/z 243.057491, Mass diff 0 (0 ppm), Formula C14H12O2P"
+244.06026	855933
+245.03621	478028	"Theoretical m/z 245.036203, Mass diff 0 (0.03 ppm), SMILES O=P(OC1=CC=CC=C1)OC2=CC=C(C=C2)C, Annotation [C13H13O3P-3H]+, Rule of HR True"
+255.11694	1256459	"Theoretical m/z 255.117375, Mass diff 0 (0 ppm), Formula C20H15"
+256.12567	523328
+259.05197	1047278	"Theoretical m/z 259.052406, Mass diff 0 (0 ppm), Formula C14H12O3P"
+260.05981	4124730
+261.06781	5900609	"Theoretical m/z 261.067524, Mass diff 0 (1.1 ppm), SMILES O=P(OC1=CC=C(C=C1)C)OC2=CC=C(C=C2)C, Annotation [C14H15O3P-H]+, Rule of HR True"
+262.07105	944784
+269.13251	450989	"Theoretical m/z 269.133026, Mass diff 0 (0 ppm), Formula C21H17"
+270.14072	791455
+271.1492	551028
+272.11993	453413
+277.0625	2041121	"Theoretical m/z 277.062427, Mass diff 0 (0.26 ppm), SMILES O=P(O)(OC1=CC=C(C=C1)C)OC2=CC=C(C=C2)C, Annotation [C14H15O4P-H]+, Rule of HR True"
+349.09872	625407	"Theoretical m/z 349.099356, Mass diff 0 (0 ppm), Formula C21H18O3P"
+367.10925	36281296	"Theoretical m/z 367.109921, Mass diff 0 (0 ppm), Formula C21H20O4P"
+368.11612	42759864	"Theoretical m/z 368.117188, Mass diff 0.001 (2.9 ppm), SMILES O=P(OC1=CC=C(C=C1)C)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C, Annotation [C21H21O4P]+, Rule of HR False"
+369.12039	8337442
+370.12335	1082493
+
+NAME: Isodecyl diphenyl phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2427
+PRECURSORMZ: 363.1669
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H31O4P
+INCHIKEY: RYUJRXVZSJCHDZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)CCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 19
+77.03855	2499103	"Theoretical m/z 77.038578, Mass diff 0 (0.36 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+94.04136	10194865	"Theoretical m/z 94.041313, Mass diff 0 (0.5 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04916	1519441	"Theoretical m/z 95.049141, Mass diff 0 (0.2 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+141.06985	1669637	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+152.06198	2144261
+153.06978	1638001	"Theoretical m/z 153.067503, Mass diff 0.002 (14.88 ppm), SMILES O=P(O)OCCCCC, Annotation [C5H13O3P+H]+, Rule of HR True"
+165.06982	918527	"Theoretical m/z 165.067508, Mass diff 0.002 (14 ppm), SMILES O=P(O)OCCCCCC, Annotation [C6H15O3P-H]+, Rule of HR True"
+168.0569	1776372
+169.06468	3998676	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+170.07246	6838194
+171.07593	909988
+215.0256	1690499	"Theoretical m/z 215.026191, Mass diff 0 (0 ppm), Formula C12H8O2P"
+232.02838	3407948
+233.03654	1667788	"Theoretical m/z 233.036213, Mass diff 0 (1.41 ppm), SMILES O=P(OC1=CC=CC=C1)OC2=CC=CC=C2, Annotation [C12H11O3P-H]+, Rule of HR True"
+249.03124	18594042	"Theoretical m/z 249.031131, Mass diff 0 (0.44 ppm), SMILES O=P(O)(OC1=CC=CC=C1)OC2=CC=CC=C2, Annotation [C12H11O4P-H]+, Rule of HR True"
+250.03941	10756126
+251.04658	85042600	"Theoretical m/z 251.046781, Mass diff 0 (0.8 ppm), SMILES O=P(O)(OC1=CC=CC=C1)OC2=CC=CC=C2, Annotation [C12H11O4P+H]+, Rule of HR True"
+252.04996	11093318
+253.05235	935388
+
+NAME: Tris(isopropylphenyl)phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2815.1
+PRECURSORMZ: 452.21115
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C27H33O4P
+INCHIKEY: LIPMRGQQBZJCTM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C(C)C)OC3=CC=CC=C3C(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 81
+77.0386	3450746	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04645	3080660	"Theoretical m/z 78.046403, Mass diff 0 (0.61 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05427	957533	"Theoretical m/z 79.054228, Mass diff 0 (0.53 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+89.03864	417755	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05428	13224606	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05763	1151291
+95.08559	650615	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+102.04647	914870	"Theoretical m/z 102.046398, Mass diff 0 (0.7 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05427	5533993	"Theoretical m/z 103.054223, Mass diff 0 (0.45 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+104.0621	1039336	"Theoretical m/z 104.062048, Mass diff 0 (0.5 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-2H]+, Rule of HR False"
+105.06994	858845	"Theoretical m/z 105.069873, Mass diff 0 (0.63 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+107.04919	1420680	"Theoretical m/z 107.049141, Mass diff 0 (0.46 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05427	6471874	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.0621	1188805	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06991	24202614	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.07766	27168344
+119.08108	3232646
+121.0648	1194070	"Theoretical m/z 121.064792, Mass diff 0 (0.06 ppm), SMILES OC1=CC=CC=C1CC, Annotation [C8H10O-H]+, Rule of HR True"
+128.06206	291751	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+135.08046	346378	"Theoretical m/z 135.080448, Mass diff 0 (0.09 ppm), SMILES OC1=CC=CC=C1C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+137.01512	396162	"Theoretical m/z 137.015626, Mass diff 0 (0 ppm), Formula C7H6OP"
+149.01508	867349	"Theoretical m/z 149.015626, Mass diff 0 (0 ppm), Formula C8H6OP"
+152.06198	282289
+163.03067	282956	"Theoretical m/z 163.03073, Mass diff 0 (0.37 ppm), SMILES O(C1=CC=CC=C1C(C)C)P, Annotation [C9H13OP-5H]+, Rule of HR True"
+165.01	1607036	"Theoretical m/z 165.009994, Mass diff 0 (0.04 ppm), SMILES O=POC1=CC=CC=C1CC, Annotation [C8H11O2P-5H]+, Rule of HR True"
+165.06985	663285	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.02554	277988	"Theoretical m/z 167.025644, Mass diff 0 (0.62 ppm), SMILES O=POC1=CC=CC=C1CC, Annotation [C8H11O2P-3H]+, Rule of HR True"
+175.01543	2959395	"Theoretical m/z 175.01602, Mass diff 0 (0 ppm), Formula C6H8O4P"
+176.01883	340529
+178.07764	1661417	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.02557	762467	"Theoretical m/z 179.025649, Mass diff 0 (0.44 ppm), SMILES OPOC1=CC=CC=C1C(C)C, Annotation [C9H13O2P-5H]+, Rule of HR True"
+179.08546	676161	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+181.04118	434942	"Theoretical m/z 181.041299, Mass diff 0 (0.66 ppm), SMILES O=POC1=CC=CC=C1C(C)C, Annotation [C9H13O2P-3H]+, Rule of HR True"
+183.02048	689989	"Theoretical m/z 183.020562, Mass diff 0 (0.45 ppm), SMILES O=P(O)OC1=CC=CC=C1CC, Annotation [C8H11O3P-3H]+, Rule of HR True"
+187.01541	717807	"Theoretical m/z 187.01602, Mass diff 0 (0 ppm), Formula C7H8O4P"
+189.06978	305275	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+191.0855	279793	"Theoretical m/z 191.086075, Mass diff 0 (0 ppm), Formula C15H11"
+197.03613	602466	"Theoretical m/z 197.036203, Mass diff 0 (0.37 ppm), SMILES O=P(O)OC1=CC=CC=C1C(C)C, Annotation [C9H13O3P-3H]+, Rule of HR True"
+201.03108	639268	"Theoretical m/z 201.03167, Mass diff 0 (0 ppm), Formula C8H10O4P"
+202.07764	328281
+203.08556	349631	"Theoretical m/z 203.086075, Mass diff 0 (0 ppm), Formula C16H11"
+207.03235	322437	"Theoretical m/z 207.036362, Mass diff 0.003 (0 ppm), Formula C14H8P"
+215.04675	1218875	"Theoretical m/z 215.046772, Mass diff 0 (0.1 ppm), SMILES O=P(O)(O)OC1=CC=CC=C1C(C)C, Annotation [C9H13O4P-H]+, Rule of HR True"
+216.05486	482123
+217.06256	360863	"Theoretical m/z 217.062422, Mass diff 0 (0.64 ppm), SMILES O=P(O)(O)OC1=CC=CC=C1C(C)C, Annotation [C9H13O4P+H]+, Rule of HR True"
+221.13248	501144	"Theoretical m/z 221.133026, Mass diff 0 (0 ppm), Formula C17H17"
+233.03615	305493	"Theoretical m/z 233.036213, Mass diff 0 (0.27 ppm), SMILES O=P(OC=1C=CC=CC=1)OC2=CC=CC=C2, Annotation [C12H11O3P-H]+, Rule of HR True"
+251.04678	21932574	"Theoretical m/z 251.04732, Mass diff 0 (0 ppm), Formula C12H12O4P"
+252.05012	2855676
+253.01677	382926	"Theoretical m/z 253.020712, Mass diff 0.003 (0 ppm), Formula C18H6P"
+253.05264	293467
+259.05179	304053	"Theoretical m/z 259.051874, Mass diff 0 (0.32 ppm), SMILES O=P(OC1=CC=CC=C1)OC2=CC=CC=C2CC, Annotation [C14H15O3P-3H]+, Rule of HR True"
+263.04688	928093	"Theoretical m/z 263.04732, Mass diff 0 (0 ppm), Formula C13H12O4P"
+273.0676	383674	"Theoretical m/z 273.067499, Mass diff 0 (0.37 ppm), SMILES O=P(OC=1C=CC=CC=1)OC2=CC=CC=C2C(C)C, Annotation [C15H17O3P-3H]+, Rule of HR True"
+275.08325	425891	"Theoretical m/z 275.083149, Mass diff 0 (0.37 ppm), SMILES O=P(OC=1C=CC=CC=1)OC2=CC=CC=C2C(C)C, Annotation [C15H17O3P-H]+, Rule of HR True"
+277.06247	1949658	"Theoretical m/z 277.062971, Mass diff 0 (0 ppm), Formula C14H14O4P"
+278.06586	291326
+291.07816	4267927	"Theoretical m/z 291.078083, Mass diff 0 (0.27 ppm), SMILES O=P(O)(OC=1C=CC=CC=1)OC2=CC=CC=C2C(C)C, Annotation [C15H17O4P-H]+, Rule of HR True"
+292.08115	657837
+293.09375	13063202	"Theoretical m/z 293.093733, Mass diff 0 (0.06 ppm), SMILES O=P(O)(OC=1C=CC=CC=1)OC2=CC=CC=C2C(C)C, Annotation [C15H17O4P+H]+, Rule of HR True"
+294.09714	2060924
+319.10928	823723	"Theoretical m/z 319.109363, Mass diff 0 (0.26 ppm), SMILES O=P(O)(OC1=CC=CC=C1CC)OC2=CC=CC=C2C(C)C, Annotation [C17H21O4P-H]+, Rule of HR True"
+333.12509	641309	"Theoretical m/z 333.125019, Mass diff 0 (0.21 ppm), SMILES O=P(O)(OC1=CC=CC=C1C(C)C)OC2=CC=CC=C2C(C)C, Annotation [C18H23O4P-H]+, Rule of HR True"
+334.13287	2535410
+335.14069	6414896	"Theoretical m/z 335.140669, Mass diff 0 (0.06 ppm), SMILES O=P(O)(OC1=CC=CC=C1C(C)C)OC2=CC=CC=C2C(C)C, Annotation [C18H23O4P+H]+, Rule of HR True"
+336.14407	1273701
+339.07779	463263	"Theoretical m/z 339.078621, Mass diff 0 (0 ppm), Formula C19H16O4P"
+353.09363	1960799	"Theoretical m/z 353.094271, Mass diff 0 (0 ppm), Formula C20H18O4P"
+354.09692	441284
+367.10922	3550423	"Theoretical m/z 367.109363, Mass diff 0 (0.39 ppm), SMILES O=P(OC=1C=CC=CC=1)(OC2=CC=CC=C2)OC3=CC=CC=C3C(C)C, Annotation [C21H21O4P-H]+, Rule of HR True"
+368.11255	636351
+395.14075	1419052	"Theoretical m/z 395.140674, Mass diff 0 (0.19 ppm), SMILES O=P(OC1=CC=CC=C1)(OC2=CC=CC=C2CC)OC3=CC=CC=C3C(C)C, Annotation [C23H25O4P-H]+, Rule of HR True"
+396.1441	370318
+409.15643	4558995	"Theoretical m/z 409.15633, Mass diff 0 (0.24 ppm), SMILES O=P(OC=1C=CC=CC=1)(OC2=CC=CC=C2C(C)C)OC3=CC=CC=C3C(C)C, Annotation [C24H27O4P-H]+, Rule of HR True"
+410.15988	1294382
+437.18768	897576	"Theoretical m/z 437.18761, Mass diff 0 (0.16 ppm), SMILES O=P(OC1=CC=CC=C1CC)(OC2=CC=CC=C2C(C)C)OC3=CC=CC=C3C(C)C, Annotation [C26H31O4P-H]+, Rule of HR True"
+438.19113	272693
+451.20325	285116	"Theoretical m/z 451.203821, Mass diff 0 (0 ppm), Formula C27H32O4P"
+452.21115	17129024	"Theoretical m/z 452.211091, Mass diff 0 (0.13 ppm), SMILES O=P(OC1=CC=CC=C1C(C)C)(OC2=CC=CC=C2C(C)C)OC3=CC=CC=C3C(C)C, Annotation [C27H33O4P]+, Rule of HR False"
+453.21454	5109428
+454.21759	749084
+
+NAME: Tris(3,5-xylenyl)phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2906.4
+PRECURSORMZ: 410.164
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C24H27O4P
+INCHIKEY: LLPMAOBOEQFPRE-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=CC(=C1)OP(=O)(OC2=CC(=CC(=C2)C)C)OC3=CC(=CC(=C3)C)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 52
+77.0386	4767104	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04645	2568310	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05426	3256791	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+91.05428	5317520	"Theoretical m/z 91.054226, Mass diff 0 (0.6 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.0621	814564	"Theoretical m/z 92.062051, Mass diff 0 (0.54 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8]+, Rule of HR False"
+93.06996	551958	"Theoretical m/z 93.069876, Mass diff 0 (0.91 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8+H]+, Rule of HR True"
+103.05427	4462563	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06208	1767901	"Theoretical m/z 104.062048, Mass diff 0 (0.3 ppm), SMILES C=1C=C(C=C(C=1)C)C, Annotation [C8H10-2H]+, Rule of HR False"
+105.06994	2332089	"Theoretical m/z 105.069873, Mass diff 0 (0.63 ppm), SMILES C=1C=C(C=C(C=1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+107.04919	1721737	"Theoretical m/z 107.049141, Mass diff 0 (0.46 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+121.06481	1812476	"Theoretical m/z 121.064792, Mass diff 0 (0.15 ppm), SMILES OC=1C=C(C=C(C=1)C)C, Annotation [C8H10O-H]+, Rule of HR True"
+122.07261	1513956	"Theoretical m/z 122.072617, Mass diff 0 (0.06 ppm), SMILES OC=1C=C(C=C(C=1)C)C, Annotation [C8H10O]+, Rule of HR False"
+165.06982	1050929	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.0256	1025545	"Theoretical m/z 167.025644, Mass diff 0 (0.26 ppm), SMILES O=POC1=CC(=CC(=C1)C)C, Annotation [C8H11O2P-3H]+, Rule of HR True"
+167.08545	466909	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+178.07762	4947106	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08548	2131486	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+183.02051	550958	"Theoretical m/z 183.020562, Mass diff 0 (0.29 ppm), SMILES O=P(O)OC1=CC(=CC(=C1)C)C, Annotation [C8H11O3P-3H]+, Rule of HR True"
+183.11676	479029	"Theoretical m/z 183.117375, Mass diff 0 (0 ppm), Formula C14H15"
+191.08546	1872235	"Theoretical m/z 191.086075, Mass diff 0 (0 ppm), Formula C15H11"
+192.09326	4091350
+193.10109	16903662	"Theoretical m/z 193.101725, Mass diff 0 (0 ppm), Formula C15H13"
+194.10445	3243760
+195.08035	1432632	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+206.10902	949441
+207.03235	554753	"Theoretical m/z 207.036362, Mass diff 0.003 (0 ppm), Formula C14H8P"
+207.11684	3239182	"Theoretical m/z 207.117375, Mass diff 0 (0 ppm), Formula C16H15"
+208.1247	4550594
+209.09604	2825554	"Theoretical m/z 209.09664, Mass diff 0 (0 ppm), Formula C15H13O"
+210.10399	1760278
+211.1118	1299782	"Theoretical m/z 211.11229, Mass diff 0 (0 ppm), Formula C15H15O"
+223.11172	892637	"Theoretical m/z 223.11229, Mass diff 0 (0 ppm), Formula C16H15O"
+224.11977	1152905
+225.12766	971540	"Theoretical m/z 225.12794, Mass diff 0 (0 ppm), Formula C16H17O"
+267.1171	557869	"Theoretical m/z 267.117375, Mass diff 0 (0 ppm), Formula C21H15"
+271.08835	3242814	"Theoretical m/z 271.08825, Mass diff 0 (0.37 ppm), SMILES O(C1=CC(=CC(=C1)C)C)POC2=CC(=CC(=C2)C)C, Annotation [C16H19O2P-3H]+, Rule of HR True"
+272.09174	534126
+273.0676	727041	"Theoretical m/z 273.067499, Mass diff 0 (0.37 ppm), SMILES O=P(OC1=CC=CC(=C1)C)OC2=CC(=CC(=C2)C)C, Annotation [C15H17O3P-3H]+, Rule of HR True"
+281.13251	551412	"Theoretical m/z 281.133026, Mass diff 0 (0 ppm), Formula C22H17"
+282.14066	1251346
+288.09149	572558
+289.09894	2937250	"Theoretical m/z 289.098804, Mass diff 0 (0.47 ppm), SMILES O=P(OC1=CC(=CC(=C1)C)C)OC2=CC(=CC(=C2)C)C, Annotation [C16H19O3P-H]+, Rule of HR True"
+290.10226	611579
+297.16385	977692	"Theoretical m/z 297.164326, Mass diff 0 (0 ppm), Formula C23H21"
+304.08597	957418
+305.09378	2339600	"Theoretical m/z 305.093738, Mass diff 0 (0.14 ppm), SMILES O=P(O)(OC1=CC(=CC(=C1)C)C)OC2=CC(=CC(=C2)C)C, Annotation [C16H19O4P-H]+, Rule of HR True"
+395.14069	9341434	"Theoretical m/z 395.140674, Mass diff 0 (0.04 ppm), SMILES O=P(OC1=CC=CC(=C1)C)(OC2=CC(=CC(=C2)C)C)OC3=CC(=CC(=C3)C)C, Annotation [C23H25O4P-H]+, Rule of HR True"
+396.1441	2312125
+409.15646	5970610	"Theoretical m/z 409.156871, Mass diff 0 (0 ppm), Formula C24H26O4P"
+410.16403	45385564	"Theoretical m/z 410.164155, Mass diff 0 (0.3 ppm), SMILES O=P(OC=1C=C(C=C(C=1)C)C)(OC2=CC(=CC(=C2)C)C)OC3=CC(=CC(=C3)C)C, Annotation [C24H27O4P]+, Rule of HR False"
+411.16754	11644697
+412.17053	1734557
+
+NAME: Tris(2-butoxyethyl) phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2407
+PRECURSORMZ: 356.19128
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H39O7P
+INCHIKEY: WTLBZVNBAKMVDP-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 39
+80.97365	319202	"Theoretical m/z 80.973606, Mass diff 0 (0.55 ppm), SMILES O=P(O)O, Annotation [H3O3P-H]+, Rule of HR True"
+81.98147	378463
+83.08555	826401	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+85.06482	7286647	"Theoretical m/z 85.06479, Mass diff 0 (0.35 ppm), SMILES O(CC)CCC, Annotation [C5H12O-3H]+, Rule of HR True"
+86.06816	398544
+98.9842	5948651	"Theoretical m/z 98.98472, Mass diff 0 (0 ppm), Formula H4O4P"
+100.08831	189091
+101.09615	1468209	"Theoretical m/z 101.096088, Mass diff 0 (0.61 ppm), SMILES O(CC)CCCC, Annotation [C6H14O-H]+, Rule of HR True"
+107.9971	243091
+111.99204	182463
+112.99983	1317284	"Theoretical m/z 113.00037, Mass diff 0 (0 ppm), Formula CH6O4P"
+122.98419	286767	"Theoretical m/z 122.98417, Mass diff 0 (0.16 ppm), SMILES O=P(O)OCCO, Annotation [C2H7O4P-3H]+, Rule of HR True"
+124.99984	10607942	"Theoretical m/z 124.99982, Mass diff 0 (0.16 ppm), SMILES O=P(O)OCCO, Annotation [C2H7O4P-H]+, Rule of HR True"
+126.00324	295113
+127.01546	2276123	"Theoretical m/z 127.01547, Mass diff 0 (0.08 ppm), SMILES O=P(O)OCCO, Annotation [C2H7O4P+H]+, Rule of HR True"
+139.01549	819112	"Theoretical m/z 139.015476, Mass diff 0 (0.1 ppm), SMILES O=P(O)OCCOC, Annotation [C3H9O4P-H]+, Rule of HR True"
+140.99474	476887	"Theoretical m/z 140.995285, Mass diff 0 (0 ppm), Formula C2H6O5P"
+143.01039	873638	"Theoretical m/z 143.010935, Mass diff 0 (0 ppm), Formula C2H8O5P"
+153.03105	2956548	"Theoretical m/z 153.031131, Mass diff 0 (0.53 ppm), SMILES O=P(OC)OCCOC, Annotation [C4H11O4P-H]+, Rule of HR True"
+154.03886	675470
+155.0103	2033937	"Theoretical m/z 155.010935, Mass diff 0 (0 ppm), Formula C3H8O5P"
+155.04668	548752	"Theoretical m/z 155.046781, Mass diff 0 (0.65 ppm), SMILES O=P(OC)OCCOC, Annotation [C4H11O4P+H]+, Rule of HR True"
+167.03384	128117	"Theoretical m/z 167.034434, Mass diff 0 (0 ppm), Formula C8H7O4"
+171.04161	404225	"Theoretical m/z 171.041685, Mass diff 0 (0.44 ppm), SMILES O=P(OCCO)OCCO, Annotation [C4H11O5P+H]+, Rule of HR True"
+181.0623	225729	"Theoretical m/z 181.062427, Mass diff 0 (0.7 ppm), SMILES O=P(O)OCCOCCCC, Annotation [C6H15O4P-H]+, Rule of HR True"
+182.07018	113260	"Theoretical m/z 182.070252, Mass diff 0 (0.4 ppm), SMILES O=P(O)OCCOCCCC, Annotation [C6H15O4P]+, Rule of HR False"
+197.05724	126881	"Theoretical m/z 197.057346, Mass diff 0 (0.54 ppm), SMILES O=P(O)(O)OCCOCCCC, Annotation [C6H15O5P-H]+, Rule of HR True"
+199.07289	3893596	"Theoretical m/z 199.072996, Mass diff 0 (0.53 ppm), SMILES O=P(O)(O)OCCOCCCC, Annotation [C6H15O5P+H]+, Rule of HR True"
+200.07626	232149
+213.08852	212882	"Theoretical m/z 213.088636, Mass diff 0 (0.55 ppm), SMILES O=P(O)(OC)OCCOCCCC, Annotation [C7H17O5P+H]+, Rule of HR True"
+225.08861	702368	"Theoretical m/z 225.088642, Mass diff 0 (0.14 ppm), SMILES O=P(OC)(OC)OCCOCCCC, Annotation [C8H19O5P-H]+, Rule of HR True"
+227.10425	1205225	"Theoretical m/z 227.104292, Mass diff 0 (0.18 ppm), SMILES O=P(OC)(OC)OCCOCCCC, Annotation [C8H19O5P+H]+, Rule of HR True"
+243.09918	291530	"Theoretical m/z 243.099211, Mass diff 0 (0.13 ppm), SMILES O=P(O)(OCCO)OCCOCCCC, Annotation [C8H19O6P+H]+, Rule of HR True"
+253.11993	475220	"Theoretical m/z 253.119938, Mass diff 0 (0.03 ppm), SMILES O=P(OCCOCC)OCCOCCCC, Annotation [C10H23O5P-H]+, Rule of HR True"
+255.0992	645179	"Theoretical m/z 255.099201, Mass diff 0 (0 ppm), SMILES O=P(O)(OCCOC)OCCOCCCC, Annotation [C9H21O6P-H]+, Rule of HR True"
+271.13055	207345	"Theoretical m/z 271.130506, Mass diff 0 (0.16 ppm), SMILES O=P(OC)(OCCOC)OCCOCCCC, Annotation [C10H23O6P+H]+, Rule of HR True"
+299.16174	2118370	"Theoretical m/z 299.161817, Mass diff 0 (0.26 ppm), SMILES O=P(O)(OCCOCCCC)OCCOCCCC, Annotation [C12H27O6P+H]+, Rule of HR True"
+300.16507	274983
+355.18796	132619	"Theoretical m/z 355.188007, Mass diff 0 (0.13 ppm), SMILES O=P(OCCOC)(OCCOCCCC)OCCOCCCC, Annotation [C15H33O7P-H]+, Rule of HR True"
+
+NAME: Tris(2-chloroethyl) phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1756
+PRECURSORMZ: 281.05115
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C6H12Cl3O4P
+INCHIKEY: HQUQLFOMPYWACS-UHFFFAOYSA-N
+INCHI: 
+SMILES: C(CCl)OP(=O)(OCCCl)OCCCl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 42
+71.08556	74461	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+77.0386	64628	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+80.97366	586863	"Theoretical m/z 80.973606, Mass diff 0 (0.67 ppm), SMILES O=P(O)O, Annotation [H3O3P-H]+, Rule of HR True"
+89.0153	208928	"Theoretical m/z 89.015803, Mass diff 0 (0 ppm), Formula C4H6Cl"
+91.01237	85916
+92.97369	72229	"Theoretical m/z 92.973611, Mass diff 0 (0.85 ppm), SMILES O=P(O)OC, Annotation [CH5O3P-3H]+, Rule of HR True"
+98.9842	4482454	"Theoretical m/z 98.98472, Mass diff 0 (0 ppm), Formula H4O4P"
+116.95029	3770588	"Theoretical m/z 116.950833, Mass diff 0 (0 ppm), Formula H3ClO3P"
+118.94737	1215390	"Theoretical m/z 118.94553, Mass diff -0.002 (0 ppm), Formula C4HCl2"
+122.98422	64591	"Theoretical m/z 122.98472, Mass diff 0 (0 ppm), Formula C2H4O4P"
+123.99202	78815	"Theoretical m/z 123.992545, Mass diff 0 (0 ppm), Formula C2H5O4P"
+124.99984	2971873	"Theoretical m/z 125.00037, Mass diff 0 (0 ppm), Formula C2H6O4P"
+126.0032	63270
+134.91643	245552	"Theoretical m/z 134.916946, Mass diff 0 (0 ppm), Formula H2Cl2O2P"
+136.91347	172618	"Theoretical m/z 136.911467, Mass diff -0.003 (0 ppm), Formula C3Cl2P"
+142.96594	5026030	"Theoretical m/z 142.965931, Mass diff 0 (0.07 ppm), SMILES O=P(O)OCCCl, Annotation [C2H6ClO3P-H]+, Rule of HR True"
+143.96932	101016
+144.96297	1636458	"Theoretical m/z 144.96118, Mass diff -0.002 (0 ppm), Formula C6H3Cl2"
+160.97646	2289872	"Theoretical m/z 160.976499, Mass diff 0 (0.25 ppm), SMILES O=P(O)(O)OCCCl, Annotation [C2H6ClO4P+H]+, Rule of HR True"
+162.9735	747365	"Theoretical m/z 162.971745, Mass diff -0.002 (0 ppm), Formula C6H5Cl2O"
+186.99208	3119233	"Theoretical m/z 186.992145, Mass diff 0 (0.35 ppm), SMILES O=P(O)(OCC)OCCCl, Annotation [C4H10ClO4P-H]+, Rule of HR True"
+187.99542	124525
+188.98912	1009891
+204.95825	2480712	"Theoretical m/z 204.958271, Mass diff 0 (0.1 ppm), SMILES O=P(OCCCl)OCCCl, Annotation [C4H9Cl2O3P-H]+, Rule of HR True"
+205.96164	103497
+206.95528	1570275
+207.03236	73355
+208.95238	248674
+213.00775	98908	"Theoretical m/z 213.007806, Mass diff 0 (0.26 ppm), SMILES O=P(OCC)(OCC)OCCCl, Annotation [C6H14ClO4P-3H]+, Rule of HR True"
+222.9688	4028397	"Theoretical m/z 222.968824, Mass diff 0 (0.11 ppm), SMILES O=P(O)(OCCCl)OCCCl, Annotation [C4H9Cl2O4P+H]+, Rule of HR True"
+223.97208	180951
+224.96584	2632706
+225.96913	108300
+226.96289	444535
+234.96884	295568	"Theoretical m/z 234.96883, Mass diff 0 (0.04 ppm), SMILES O=P(OC)(OCCCl)OCCCl, Annotation [C5H11Cl2O4P-H]+, Rule of HR True"
+236.96585	196482
+248.98448	6177992	"Theoretical m/z 248.984485, Mass diff 0 (0.02 ppm), SMILES O=P(OCC)(OCCCl)OCCCl, Annotation [C6H13Cl2O4P-H]+, Rule of HR True"
+249.98782	362022
+250.98151	3846807
+251.98489	248168
+252.97859	660832
+447.34689	91499
+
+NAME: Tris(1-chloro-2-propyl) phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1783.1
+PRECURSORMZ: 293.02844
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H18Cl3O4P
+INCHIKEY: KVMPUXDNESXNOH-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 34
+77.0386	421356	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05427	278159	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.97366	1394054	"Theoretical m/z 80.973606, Mass diff 0 (0.67 ppm), SMILES O=P(O)O, Annotation [H3O3P-H]+, Rule of HR True"
+98.98419	22645338	"Theoretical m/z 98.98472, Mass diff 0 (0 ppm), Formula H4O4P"
+116.95029	8524398	"Theoretical m/z 116.950833, Mass diff 0 (0 ppm), Formula H3ClO3P"
+118.94736	2795825	"Theoretical m/z 118.94553, Mass diff -0.002 (0 ppm), Formula C4HCl2"
+121.00492	490122	"Theoretical m/z 121.004907, Mass diff 0 (0.11 ppm), SMILES O=P(O)OC(C)C, Annotation [C3H9O3P-3H]+, Rule of HR True"
+124.99983	25511706	"Theoretical m/z 125.00037, Mass diff 0 (0 ppm), Formula C2H6O4P"
+126.00318	501832
+133.01364	486023
+136.99982	294183	"Theoretical m/z 137.00037, Mass diff 0 (0 ppm), Formula C3H6O4P"
+139.01546	2715797	"Theoretical m/z 139.01602, Mass diff 0 (0 ppm), Formula C3H8O4P"
+147.11688	5436283
+149.04483	7187765
+149.09596	7185001
+150.06763	973107	"Theoretical m/z 150.06808, Mass diff 0 (0 ppm), Formula C9H10O2"
+156.98152	4251524	"Theoretical m/z 156.981586, Mass diff 0 (0.42 ppm), SMILES O=P(O)OC(C)CCl, Annotation [C3H8ClO3P-H]+, Rule of HR True"
+158.97859	1871982	"Theoretical m/z 158.976831, Mass diff -0.002 (0 ppm), Formula C7H5Cl2"
+172.97649	469079	"Theoretical m/z 172.976505, Mass diff 0 (0.09 ppm), SMILES O=P(O)(O)OC(C)CCl, Annotation [C3H8ClO4P-H]+, Rule of HR True"
+174.9921	1794910	"Theoretical m/z 174.992155, Mass diff 0 (0.31 ppm), SMILES O=P(O)(O)OC(C)CCl, Annotation [C3H8ClO4P+H]+, Rule of HR True"
+176.9891	513852
+201.00772	8390025	"Theoretical m/z 201.007801, Mass diff 0 (0.4 ppm), SMILES O=P(O)(OCC)OC(C)CCl, Annotation [C5H12ClO4P-H]+, Rule of HR True"
+202.01106	464587
+203.00476	2745060	"Theoretical m/z 203.003045, Mass diff -0.002 (0 ppm), Formula C9H9Cl2O"
+215.02339	1064935	"Theoretical m/z 215.023456, Mass diff 0 (0.31 ppm), SMILES O=P(O)(OC(C)C)OC(C)CCl, Annotation [C6H14ClO4P-H]+, Rule of HR True"
+217.02051	359017	"Theoretical m/z 217.018519, Mass diff -0.003 (0 ppm), Formula C9H11ClO2P"
+277.01578	2989759	"Theoretical m/z 277.015766, Mass diff 0 (0.05 ppm), SMILES O=P(OCC)(OC(C)CCl)OC(C)CCl, Annotation [C8H17Cl2O4P-H]+, Rule of HR True"
+278.01916	274178
+279.01282	1971624
+281.00986	360916
+285.00919	1587988
+291.03146	371552	"Theoretical m/z 291.031421, Mass diff 0 (0.13 ppm), SMILES O=P(OC(C)C)(OC(C)CCl)OC(C)CCl, Annotation [C9H19Cl2O4P-H]+, Rule of HR True"
+293.02844	262965
+400.98514	5521188
+
+NAME: Tris(2-ethylhexyl) phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2465
+PRECURSORMZ: 323.23441
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C24H51O4P
+INCHIKEY: GTVWRXDRKAHEAD-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 6
+71.08555	7247238	"Theoretical m/z 71.085529, Mass diff 0 (0.3 ppm), SMILES CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+81.98147	2287102
+98.98419	109890584	"Theoretical m/z 98.98472, Mass diff 0 (0 ppm), Formula H4O4P"
+111.99202	4660863
+112.99982	4695014	"Theoretical m/z 113.00037, Mass diff 0 (0 ppm), Formula CH6O4P"
+113.13246	1843255	"Theoretical m/z 113.13248, Mass diff 0 (0.18 ppm), SMILES CCCCC(C)CC, Annotation [C8H18-H]+, Rule of HR True"
+
+NAME: Triphenyl phosphate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2400
+PRECURSORMZ: 326.06903
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H15O4P
+INCHIKEY: XZZNDPSIHUTMOC-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 39
+77.03857	5085484	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+85.06479	7261426	"Theoretical m/z 85.06534, Mass diff 0 (0 ppm), Formula C5H9O"
+94.04137	4055678	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04919	651430	"Theoretical m/z 95.049141, Mass diff 0 (0.52 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08557	662530	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+100.00728	547598
+115.05423	2054853	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+138.99434	2346087	"Theoretical m/z 138.994348, Mass diff 0 (0.06 ppm), SMILES O=POC1=CC=CC=C1, Annotation [C6H7O2P-3H]+, Rule of HR True"
+139.05415	795744	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+140.00215	1247633
+141.06984	3568865	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07765	1346850
+152.06198	2196276
+168.0569	5623581
+169.06465	10623498	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+170.07246	5889080
+171.07582	678146
+187.03062	788654	"Theoretical m/z 187.031277, Mass diff 0 (0 ppm), Formula C11H8OP"
+215.02557	10030122	"Theoretical m/z 215.026191, Mass diff 0 (0 ppm), Formula C12H8O2P"
+216.02893	1267396
+217.10127	570464	"Theoretical m/z 217.101725, Mass diff 0 (0 ppm), Formula C17H13"
+226.07761	1359003
+227.08563	2340154	"Theoretical m/z 227.086075, Mass diff 0 (0 ppm), Formula C18H11"
+228.09338	6363142
+229.1012	1954199
+231.02054	1133503	"Theoretical m/z 231.021106, Mass diff 0 (0 ppm), Formula C12H8O3P"
+232.02838	5641933
+233.03627	9201202	"Theoretical m/z 233.036213, Mass diff 0 (0.25 ppm), SMILES O=P(OC1=CC=CC=C1)OC2=CC=CC=C2, Annotation [C12H11O3P-H]+, Rule of HR True"
+234.03954	1199310
+244.08826	658302
+245.09638	1063335	"Theoretical m/z 245.09664, Mass diff 0 (0 ppm), Formula C18H13O"
+246.10431	1189535
+249.03111	1958340	"Theoretical m/z 249.031131, Mass diff 0 (0.09 ppm), SMILES O=P(O)(OC1=CC=CC=C1)OC2=CC=CC=C2, Annotation [C12H11O4P-H]+, Rule of HR True"
+289.04126	980473	"Theoretical m/z 289.041841, Mass diff 0 (0 ppm), Formula C18H10O2P"
+307.05182	1271420	"Theoretical m/z 307.052406, Mass diff 0 (0 ppm), Formula C18H12O3P"
+325.06229	52917632	"Theoretical m/z 325.062971, Mass diff 0 (0 ppm), Formula C18H14O4P"
+326.06903	34838640
+327.07373	5335382
+328.07675	645387
+
+NAME: 1,2-Benzanthraquinone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2588.5
+PRECURSORMZ: 258.0676
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H10O2
+INCHIKEY: LHMRXAIRPKSGDE-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 44
+74.01513	253592	"Theoretical m/z 74.015103, Mass diff 0 (0.37 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02296	368350	"Theoretical m/z 75.022928, Mass diff 0 (0.43 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+76.0308	188135	"Theoretical m/z 76.030753, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+86.01514	153645	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.023	648973	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03079	1620102	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+88.53249	239000
+98.01518	336487
+99.02296	422879	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.03076	2264243
+100.53252	443285
+101.03862	2408269	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+101.54028	436904
+114.53777	375448
+115.03605	142102
+115.05425	159265	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+122.0151	145973
+126.04642	573025
+129.03354	405945	"Theoretical m/z 129.03404, Mass diff 0 (0 ppm), Formula C9H5O"
+149.03856	185878	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+150.04637	530582
+152.06201	208017
+163.05411	160977	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+174.04634	717312
+175.05417	433396	"Theoretical m/z 175.054775, Mass diff 0 (0 ppm), Formula C14H7"
+176.06194	470496	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+198.04637	454705
+199.0542	738576	"Theoretical m/z 199.054775, Mass diff 0 (0 ppm), Formula C16H7"
+200.06201	6428866
+201.06981	4313462	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07762	10460324
+203.0809	1841535
+204.08455	143752
+207.0323	179256
+213.06967	154070	"Theoretical m/z 213.070425, Mass diff 0 (0 ppm), Formula C17H9"
+214.07788	171289
+219.08048	502061	"Theoretical m/z 219.08099, Mass diff 0 (0 ppm), Formula C16H11O"
+229.06493	1103506	"Theoretical m/z 229.064798, Mass diff 0 (0.58 ppm), SMILES O=C(C1=CC=CC=C1)C=2C=CC3=CC=CC=C3(C=2), Annotation [C17H12O-3H]+, Rule of HR True"
+230.07265	7278105
+231.07568	1254647
+257.05975	4307219	"Theoretical m/z 257.060255, Mass diff 0 (0 ppm), Formula C18H9O2"
+258.0676	13283367	"Theoretical m/z 258.067536, Mass diff 0 (0.25 ppm), SMILES O=C1C4=CC=CC=C4(C(=O)C=2C3=CC=CC=C3(C=CC1=2)), Annotation [C18H10O2]+, Rule of HR False"
+259.07086	2587442
+260.08316	570557
+
+NAME: 1,4-Chrysenequinone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2717.2
+PRECURSORMZ: 258.0677
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H10O2
+INCHIKEY: UORKIKBNUWJNJF-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=O)C=CC4=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 137
+74.01515	3278	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02612	3386
+77.03861	3768	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+80.06209	4792	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+81.06993	32332	"Theoretical m/z 81.069878, Mass diff 0 (0.65 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07775	12325	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08555	26701	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.0934	3265
+85.06485	2416	"Theoretical m/z 85.06534, Mass diff 0 (0 ppm), Formula C5H9O"
+86.03626	4571	"Theoretical m/z 86.036779, Mass diff 0 (0 ppm), Formula C4H6O2"
+87.04413	6853	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+88.03081	22642	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+88.53252	2470
+88.95103	2556
+90.04649	2368	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05428	6993	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06211	10458	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06995	9482	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.07777	4534	"Theoretical m/z 94.07825, Mass diff 0 (0 ppm), Formula C7H10"
+97.02846	2288	"Theoretical m/z 97.028954, Mass diff 0 (0 ppm), Formula C5H5O2"
+97.06487	3937	"Theoretical m/z 97.064789, Mass diff 0 (0.84 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+97.10125	2572
+98.03635	5541
+98.07268	9790
+99.0441	7158	"Theoretical m/z 99.044604, Mass diff 0 (0 ppm), Formula C5H7O2"
+99.11689	9091
+100.03079	23271
+100.53252	3939
+101.03867	27288	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+101.54036	6268
+110.10906	10582
+114.06753	2247	"Theoretical m/z 114.06808, Mass diff 0 (0 ppm), Formula C6H10O2"
+114.53801	3186
+115.03089	8578
+115.05427	14223	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.0699	17657	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+121.02843	9937	"Theoretical m/z 121.028954, Mass diff 0 (0 ppm), Formula C7H5O2"
+121.1012	6240
+125.09614	4149
+126.04643	9482
+131.05238	2184
+132.02066	3955	"Theoretical m/z 132.021129, Mass diff 0 (0 ppm), Formula C8H4O2"
+133.01356	2533
+134.99283	4448
+135.04422	4387	"Theoretical m/z 135.044604, Mass diff 0 (0 ppm), Formula C8H7O2"
+136.08836	2515
+136.1247	2397
+137.13251	9841
+138.14037	2515
+139.05426	3007	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.14812	2212
+141.0699	6670	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+145.06486	3419	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+145.1012	2427
+148.11206	2731
+150.04652	7339
+153.06985	4894	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+155.08548	5086	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+159.11679	5442
+162.06763	3860	"Theoretical m/z 162.06808, Mass diff 0 (0 ppm), Formula C10H10O2"
+162.14032	2565
+163.0542	4918	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+163.11168	4083
+164.06187	2397
+165.06985	4655	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+168.09337	2500
+169.06473	5366	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+170.07242	12476
+171.08038	2940	"Theoretical m/z 171.08099, Mass diff 0 (0 ppm), Formula C12H11O"
+171.11678	3508
+172.08821	4064
+173.13245	2946
+174.04633	8236
+175.05389	6460	"Theoretical m/z 175.054223, Mass diff 0 (1.9 ppm), SMILES C=1C=CC3=C(C=1)C=CC2=CC=CC=C23, Annotation [C14H10-3H]+, Rule of HR True"
+175.07516	5503	"Theoretical m/z 175.075905, Mass diff 0 (0 ppm), Formula C11H11O2"
+175.11168	3685
+176.06206	7382	"Theoretical m/z 176.062048, Mass diff 0 (0.07 ppm), SMILES C=1C=CC3=C(C=1)C=CC2=CC=CC=C23, Annotation [C14H10-2H]+, Rule of HR False"
+177.12738	2830
+178.07762	4559	"Theoretical m/z 178.077698, Mass diff 0 (0.44 ppm), SMILES C=1C=CC3=C(C=1)C=CC2=CC=CC=C23, Annotation [C14H10]+, Rule of HR False"
+179.08539	2703	"Theoretical m/z 179.085524, Mass diff 0 (0.75 ppm), SMILES C=1C=CC3=C(C=1)C=CC2=CC=CC=C23, Annotation [C14H10+H]+, Rule of HR True"
+179.1794	2905
+180.18268	3717
+180.98042	4835
+181.10109	2785
+181.19496	4123
+187.0542	2932	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+187.11169	3688
+194.996	2614
+195.0805	2873	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+198.04614	11596
+198.12787	3678
+199.05399	6226	"Theoretical m/z 199.054775, Mass diff 0 (0 ppm), Formula C16H7"
+199.11185	5351
+200.06197	76592
+201.06992	48440	"Theoretical m/z 201.070425, Mass diff 0 (0 ppm), Formula C16H9"
+202.07768	128911
+203.08096	27418
+204.09323	5654
+205.01677	2304
+206.10915	2597
+207.03235	10783
+209.09612	2452
+213.06984	3193	"Theoretical m/z 213.070425, Mass diff 0 (0 ppm), Formula C17H9"
+213.0907	2317
+215.08531	4176	"Theoretical m/z 215.086075, Mass diff 0 (0 ppm), Formula C17H11"
+217.10138	3074
+219.04695	4608	"Theoretical m/z 219.044604, Mass diff -0.003 (0 ppm), Formula C15H7O2"
+219.11705	7117
+223.14821	2720
+225.04291	3668
+229.0015	8442
+229.10136	10767
+230.07266	96917
+231.07567	15542
+238.17177	2473
+240.1821	4130
+248.14314	2253
+250.07758	2433
+250.96765	4310
+254.01652	2566
+254.09647	3238
+257.05963	21060	"Theoretical m/z 257.060255, Mass diff 0 (0 ppm), Formula C18H9O2"
+258.06769	217964	"Theoretical m/z 258.067536, Mass diff 0 (0.6 ppm), SMILES O=C4C=CC(=O)C2=C4(C=CC=1C3=CC=CC=C3(C=CC=12)), Annotation [C18H10O2]+, Rule of HR False"
+259.07089	41866
+260.08344	6072
+260.14337	7176
+265.01996	4316
+266.99927	3709
+267.21103	2943
+277.07785	2359
+281.05121	5193
+289.18036	2342
+327.3045	2206
+361.02582	3270
+377.04804	2287
+400.98465	3401
+405.08231	2328
+
+NAME: Hydroxychrysene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2864.2
+PRECURSORMZ: 244.0883
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H12O
+INCHIKEY: VXFDOYXVHRYCGS-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 40
+87.04412	47077
+93.52692	210319
+94.07777	54513	"Theoretical m/z 94.07825, Mass diff 0 (0 ppm), Formula C7H10"
+94.53471	413348
+95.04919	79184	"Theoretical m/z 95.049141, Mass diff 0 (0.52 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08557	77305	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+105.52688	86777
+106.5347	441736
+107.03862	175579
+107.08556	175635	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+107.54251	312084
+108.03384	209789
+108.09335	210543	"Theoretical m/z 108.0939, Mass diff 0 (0 ppm), Formula C8H12"
+109.10123	47796	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+112.03077	53097
+120.03384	44845
+121.02845	85478
+121.10119	88035	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+122.04386	194897
+163.05409	70383	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+186.04631	42437
+187.05412	216382	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+188.06203	103409
+189.06979	378585	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+190.07309	61188
+207.03233	89823
+211.0542	143603	"Theoretical m/z 211.054775, Mass diff 0 (0 ppm), Formula C17H7"
+212.0623	72621
+213.06984	906759	"Theoretical m/z 213.070425, Mass diff 0 (0 ppm), Formula C17H9"
+214.07307	276009
+215.08551	3386576	"Theoretical m/z 215.086075, Mass diff 0 (0 ppm), Formula C17H11"
+216.08873	1016365
+217.09672	126624
+224.06209	48883
+242.07272	55682
+243.08073	130991	"Theoretical m/z 243.08099, Mass diff 0 (0 ppm), Formula C18H11O"
+244.08827	3917976	"Theoretical m/z 244.088273, Mass diff 0 (0.01 ppm), SMILES OC1=CC=3C4=CC=CC=C4(C=CC=3(C2=CC=CC=C12)), Annotation [C18H12O]+, Rule of HR False"
+245.09161	766683
+246.095	65155
+281.05118	48472
+
+NAME: 1-Nitronaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1569.5
+PRECURSORMZ: 173.04709
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H7NO2
+INCHIKEY: RJKGJBPXVHTNJL-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 49
+74.01514	466520	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02299	768987	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.0308	288087	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+77.0386	1021210	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04645	142761	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+85.00732	90807	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01514	299519	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.023	386779	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03082	188166	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03862	999090	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04649	719160	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05429	220228	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+98.01517	447352
+99.02298	272759	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.03081	208825
+101.03865	379570	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+102.04646	685892	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05428	390224	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.02571	101803	"Theoretical m/z 104.026215, Mass diff 0 (0 ppm), Formula C7H4O"
+113.0386	266785	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.04648	305592
+115.05427	8722235	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.05759	1253217
+117.05731	603564
+118.04132	490143	"Theoretical m/z 118.041865, Mass diff 0 (0 ppm), Formula C8H6O"
+119.08559	160067
+122.01508	91960
+125.03865	373544	"Theoretical m/z 125.039125, Mass diff 0 (0 ppm), Formula C10H5"
+126.04643	4718506
+127.05421	3927237	"Theoretical m/z 127.054233, Mass diff 0 (0.18 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8-H]+, Rule of HR True"
+128.06203	758245
+129.0573	2096144	"Theoretical m/z 129.057849, Mass diff 0 (0 ppm), Formula C9H7N"
+130.02879	415992	"Theoretical m/z 130.029289, Mass diff 0 (0 ppm), Formula C8H4NO"
+133.06485	248184
+140.0495	169125	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+142.06517	192730	"Theoretical m/z 142.065674, Mass diff 0 (0 ppm), Formula C10H8N"
+143.04918	2620050	"Theoretical m/z 143.04969, Mass diff 0 (0 ppm), Formula C10H7O"
+143.07297	1370969
+144.05254	386947
+145.05222	2768834	"Theoretical m/z 145.052764, Mass diff 0 (0 ppm), Formula C9H7NO"
+146.05557	315754
+146.06812	159294
+155.0603	3414458
+156.06369	436930
+157.05217	164961
+159.06782	90563
+172.03926	364586	"Theoretical m/z 172.039853, Mass diff 0 (0 ppm), Formula C10H6NO2"
+173.04709	4004970	"Theoretical m/z 173.047135, Mass diff 0 (0.26 ppm), SMILES O=[N+]([O-])C2=CC=CC1=CC=CC=C12, Annotation [C10H7NO2]+, Rule of HR False"
+174.05045	437334
+
+NAME: Hydroxyfluoren-9-one
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1751.1
+PRECURSORMZ: 196.0518
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H8O2
+INCHIKEY: QUUNMPSDKIURJD-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 25
+74.01513	141612	"Theoretical m/z 74.015103, Mass diff 0 (0.37 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-4H]+, Rule of HR False"
+83.04919	116326	"Theoretical m/z 83.04969, Mass diff 0 (0 ppm), Formula C5H7O"
+83.08556	134022
+84.02828	149099
+85.00732	112940	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01514	295574	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02299	405326	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.03081	233943	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03863	392539	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+98.01518	211081
+110.01516	104619
+111.02296	123043	"Theoretical m/z 111.023475, Mass diff 0 (0 ppm), Formula C9H3"
+113.0386	640891	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.04644	319678
+137.03865	307633	"Theoretical m/z 137.039125, Mass diff 0 (0 ppm), Formula C11H5"
+138.04645	308922
+139.05424	6177216	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+140.062	2336322
+141.06532	228447
+167.04915	425739	"Theoretical m/z 167.049142, Mass diff 0 (0.05 ppm), SMILES OC1=CC=CC(=C1)C=2C=CC=CC=2, Annotation [C12H10O-3H]+, Rule of HR True"
+168.05692	7280965
+169.06026	1047974
+196.0518	10461173	"Theoretical m/z 196.051881, Mass diff 0 (0.41 ppm), SMILES O=C2C1=CC=CC=C1C=3C=CC=C(O)C2=3, Annotation [C13H8O2]+, Rule of HR False"
+196.11925	421679
+197.0551	1527041
+
+NAME: 1,4-Naphthoquinone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1371.5
+PRECURSORMZ: 158.0362
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H6O2
+INCHIKEY: FRASJONUBLZVQX-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=O)C=CC(=O)C2=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 51
+74.01514	162609	"Theoretical m/z 74.015103, Mass diff 0 (0.51 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02299	148183	"Theoretical m/z 75.022928, Mass diff 0 (0.83 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+76.03079	574205	"Theoretical m/z 76.030753, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.0386	301361	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04645	85976	"Theoretical m/z 78.046403, Mass diff 0 (0.61 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+81.06994	48045
+85.00732	25897	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.06484	27189
+86.01513	39775	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.10457	30267
+87.023	45013	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03863	33725	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+97.10125	37902
+98.01514	44575
+98.07268	44641
+98.10906	39313
+101.03866	48142	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+102.04646	2018102	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05426	537011	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.0257	979188	"Theoretical m/z 104.025664, Mass diff 0 (0.35 ppm), SMILES O=CC=1C=CC=CC=1, Annotation [C7H6O-2H]+, Rule of HR False"
+105.06994	297737
+113.05973	29410
+114.04648	27191
+115.05426	168036	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.0621	30968
+117.06989	46295
+118.07771	23328
+128.06209	68633
+129.06988	181631
+130.04138	1310711	"Theoretical m/z 130.041312, Mass diff 0 (0.52 ppm), SMILES O=C(C=C)C=1C=CC=CC=1, Annotation [C9H8O-2H]+, Rule of HR False"
+131.04918	1218637	"Theoretical m/z 131.049137, Mass diff 0 (0.33 ppm), SMILES O=C(C=C)C=1C=CC=CC=1, Annotation [C9H8O-H]+, Rule of HR True"
+132.05701	367864
+133.01363	34708
+133.06482	31888
+139.05421	26310
+141.06988	298931
+142.07773	39734
+152.06203	44872
+153.06982	61986
+155.08554	76393
+156.09334	247604
+157.02838	91001	"Theoretical m/z 157.028954, Mass diff 0 (0 ppm), Formula C10H5O2"
+157.10118	139745
+158.03619	2234395	"Theoretical m/z 158.036225, Mass diff 0 (0.22 ppm), SMILES O=C1C=CC(=O)C2=CC=CC=C12, Annotation [C10H6O2]+, Rule of HR False"
+159.03957	366073
+159.11679	24310
+160.05182	1480534
+161.05524	159774
+174.14027	39633
+176.04669	28529
+207.03233	23485
+
+NAME: 2-Methylnaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1270.2
+PRECURSORMZ: 142.077
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H10
+INCHIKEY: QIMMUPPBPVKWKM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC2=CC=CC=C2C=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 16
+81.06955	44240	"Theoretical m/z 81.069878, Mass diff 0 (-4.04 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+86.01467	47419	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.10411	66829
+87.02258	64063	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03818	194880	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+98.01475	40447
+113.03805	88738	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+115.0537	1565952	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.05704	134729
+126.04575	49839
+139.05359	500853	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+140.05696	87652
+141.0692	4024901	"Theoretical m/z 141.070425, Mass diff 0.001 (0 ppm), Formula C11H9"
+142.077	3680908	"Theoretical m/z 142.077698, Mass diff 0.001 (4.92 ppm), SMILES C1=CC=C2C=C(C=CC2(=C1))C, Annotation [C11H10]+, Rule of HR False"
+143.08035	407350
+207.03137	49345
+
+NAME: 1-Methylnaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1286.6
+PRECURSORMZ: 142.077
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H10
+INCHIKEY: QPUYECUOLPXSFR-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC=CC2=CC=CC=C12
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 13
+86.01471	55460	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02255	63785	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03819	213185	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+113.03806	89308	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+114.04584	45599
+115.0537	1789221	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.05703	186878
+126.04581	66149
+139.05357	538932	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+140.05687	96504
+141.0692	4443998	"Theoretical m/z 141.070425, Mass diff 0.001 (0 ppm), Formula C11H9"
+142.077	3888514	"Theoretical m/z 142.077698, Mass diff 0.001 (4.92 ppm), SMILES C1=CC=C2C(=C1)C=CC=C2C, Annotation [C11H10]+, Rule of HR False"
+143.08035	433165
+
+NAME: 2,6-Dimethylnaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1381.9
+PRECURSORMZ: 156.09256
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H12
+INCHIKEY: QHJMFSMPSZREIF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC2=CC=CC=C2C(=C1)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 36
+75.02259	27659	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03044	147908	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+77.03824	83926	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+85.1008	53118	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+89.03818	47892	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+95.08513	23008	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+98.03577	18878
+99.11639	23415
+102.04602	36409	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+113.03801	25895	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+115.05371	368988	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.05711	53059
+117.06933	37794	"Theoretical m/z 117.070425, Mass diff 0.001 (0 ppm), Formula C9H9"
+119.08501	30904	"Theoretical m/z 119.086075, Mass diff 0.001 (0 ppm), Formula C9H11"
+126.04583	33643
+127.05357	50578
+128.06145	271560	"Theoretical m/z 128.062058, Mass diff 0.001 (4.75 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8]+, Rule of HR False"
+129.06926	72531	"Theoretical m/z 129.069883, Mass diff 0.001 (4.83 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8+H]+, Rule of HR True"
+135.11618	33652
+139.05357	180191	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+140.05699	33442
+141.0692	1722319	"Theoretical m/z 141.069873, Mass diff 0.001 (4.77 ppm), SMILES C1=CC=C2C(=C1)C=CC=C2C, Annotation [C11H10-H]+, Rule of HR True"
+142.07254	200888
+143.08485	20275	"Theoretical m/z 143.085524, Mass diff 0.001 (4.71 ppm), SMILES C1=CC=C2C(=C1)C=CC=C2C, Annotation [C11H10+H]+, Rule of HR True"
+150.02603	37914
+151.0535	52266	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.0613	299468
+153.06909	362445	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+154.07686	107513
+155.08476	642545	"Theoretical m/z 155.086075, Mass diff 0.001 (0 ppm), Formula C12H11"
+156.09256	1710351
+157.09598	211240
+169.06392	17560
+174.13937	26427
+207.03134	17660
+400.98212	37498
+
+NAME: 1,3-Dimethylnaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1395.4
+PRECURSORMZ: 156.09258
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H12
+INCHIKEY: SDDBCEWUYXVGCQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C2C=CC=C(C2=CC=C1)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 44
+70.07742	281278	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.08522	310258	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+76.03046	89541	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+77.03825	55801	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05391	55147	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+82.07738	115451	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08518	271458	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.09304	302050	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.06448	20893
+85.10081	734397	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.01477	19986	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.10413	51629
+89.0382	42077	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+96.09295	71952	"Theoretical m/z 96.0939, Mass diff 0 (0 ppm), Formula C7H12"
+97.10079	554008	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+98.10859	115823
+99.1164	44544
+102.04597	28699	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+111.11635	35661
+115.05373	378772	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.05704	45071
+117.06934	27454	"Theoretical m/z 117.070425, Mass diff 0.001 (0 ppm), Formula C9H9"
+119.08499	53271	"Theoretical m/z 119.086075, Mass diff 0.001 (0 ppm), Formula C9H11"
+121.06427	15459
+124.12412	15234
+125.1319	25526
+126.04584	23926
+126.13976	95029
+127.05366	26189	"Theoretical m/z 127.054233, Mass diff 0.001 (4.51 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8-H]+, Rule of HR True"
+128.06146	196664	"Theoretical m/z 128.062058, Mass diff 0.001 (4.67 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8]+, Rule of HR False"
+129.06928	86135	"Theoretical m/z 129.069883, Mass diff 0.001 (4.67 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8+H]+, Rule of HR True"
+139.0536	114306	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+141.0692	1498782	"Theoretical m/z 141.069873, Mass diff 0.001 (4.77 ppm), SMILES C1=CC=C2C(=C1)C=CC=C2C, Annotation [C11H10-H]+, Rule of HR True"
+142.07256	165959
+150.026	36802
+151.02328	32491
+152.0613	175193
+153.06915	227183	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+154.07687	79056
+155.08476	261948	"Theoretical m/z 155.086075, Mass diff 0.001 (0 ppm), Formula C12H11"
+156.09258	1035290	"Theoretical m/z 156.093354, Mass diff 0.001 (4.96 ppm), SMILES C2=CC=1C(=CC=CC=1C)C(=C2)C, Annotation [C12H12]+, Rule of HR False"
+157.09595	147243
+192.18619	29512
+207.03134	24970
+
+NAME: 1,4-Dimethylnaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1414.3
+PRECURSORMZ: 156.09256
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H12
+INCHIKEY: YGYNBBAUIYTWBF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC2=C(C=C1)C=C(C=C2)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 25
+75.02264	28280	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03045	75158	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+77.03826	37965	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+85.10081	114562	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.10413	29188
+87.02254	35303	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03821	54987	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+102.04598	42600	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+115.0537	561257	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.05705	49588
+126.04581	59336
+127.05366	62254	"Theoretical m/z 127.054233, Mass diff 0.001 (4.51 ppm), SMILES C=1C=CC=2C=CC=CC=2(C=1), Annotation [C10H8-H]+, Rule of HR True"
+128.06146	316268	"Theoretical m/z 128.062058, Mass diff 0.001 (4.67 ppm), SMILES C=1C=CC=2C=CC=CC=2(C=1), Annotation [C10H8]+, Rule of HR False"
+129.06926	155068	"Theoretical m/z 129.069883, Mass diff 0.001 (4.83 ppm), SMILES C=1C=CC=2C=CC=CC=2(C=1), Annotation [C10H8+H]+, Rule of HR True"
+139.05359	86941	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+141.0692	2618273	"Theoretical m/z 141.069873, Mass diff 0.001 (4.77 ppm), SMILES C=1C=CC=2C=C(C=CC=2(C=1))C, Annotation [C11H10-H]+, Rule of HR True"
+142.07259	292109
+150.04565	40194
+151.05353	38707	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.0613	222595
+153.06912	314230	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+154.07695	129710
+155.08475	213144	"Theoretical m/z 155.086075, Mass diff 0.001 (0 ppm), Formula C12H11"
+156.09256	1084856
+157.09592	141546
+
+NAME: 1,5-Dimethylnaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1418
+PRECURSORMZ: 156.09253
+PRECURSORTYPE: [M-CH3]+.
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H12
+INCHIKEY: APQSQLNWAIULLK-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC=C(C2=CC=CC=C12)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 42
+70.07739	18450	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.0852	30751	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+76.03043	154737	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+76.5321	23824
+77.03824	102126	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05389	16173	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+81.06955	18259	"Theoretical m/z 81.069878, Mass diff 0 (-4.04 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07736	199696	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08517	308718	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.09302	81900	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.1008	48045	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.02254	20687	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.0382	36063	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+99.11639	31420
+102.04595	26679	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+113.03802	19299	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+115.0537	305084	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.05704	37400
+117.06933	25547	"Theoretical m/z 117.070425, Mass diff 0.001 (0 ppm), Formula C9H9"
+126.04579	41145
+127.05359	34876
+128.06145	185979	"Theoretical m/z 128.062058, Mass diff 0.001 (4.75 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8]+, Rule of HR False"
+129.06926	57670	"Theoretical m/z 129.069883, Mass diff 0.001 (4.83 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8+H]+, Rule of HR True"
+132.09283	21056	"Theoretical m/z 132.0939, Mass diff 0.001 (0 ppm), Formula C10H12"
+139.05356	162189	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+140.05701	30934
+141.06918	1149178	"Theoretical m/z 141.069873, Mass diff 0.001 (4.92 ppm), SMILES C1=CC=C2C(=C1)C=CC=C2C, Annotation [C11H10-H]+, Rule of HR True"
+142.07256	143194
+143.08472	34383
+145.06404	26948
+150.04575	27910
+151.05347	54367	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.0613	283532
+153.06908	367309	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+154.0769	81001
+155.08472	591765	"Theoretical m/z 155.086075, Mass diff 0.001 (0 ppm), Formula C12H11"
+156.09253	1513867
+157.09587	193738
+159.11597	41362
+169.06387	27472
+179.05945	21372
+253.01535	22375
+
+NAME: 1,2-Dimethylnaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1432
+PRECURSORMZ: 156.09256
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H12
+INCHIKEY: QNLZIZAQLLYXTC-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C2=CC=CC=C2C=C1)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 32
+75.02263	16910	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03045	48687	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+77.03825	29273	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.0461	22203	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+87.02254	25879	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.03819	23120	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04604	18055	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+98.10857	27886
+111.11634	24652
+113.03799	21354	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+115.0537	332081	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.05702	41405
+120.09281	19872
+126.04585	33431
+127.05359	15987
+128.06146	134628	"Theoretical m/z 128.062058, Mass diff 0.001 (4.67 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8]+, Rule of HR False"
+129.06923	30601
+133.10056	29540	"Theoretical m/z 133.101725, Mass diff 0.001 (0 ppm), Formula C10H13"
+139.05356	47243	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+140.05695	16976
+141.06918	1423198	"Theoretical m/z 141.069873, Mass diff 0.001 (4.92 ppm), SMILES C1=CC=C2C(=C1)C=CC=C2C, Annotation [C11H10-H]+, Rule of HR True"
+142.07254	170376
+150.02592	20850
+151.02338	30021
+151.05344	26329	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.06128	138216
+153.06908	163300	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+155.08472	191231	"Theoretical m/z 155.086075, Mass diff 0.001 (0 ppm), Formula C12H11"
+156.09256	660211
+157.09598	84252
+225.04181	26777
+227.0211	17072
+
+NAME: 1,8-Dimethylnaphthalene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1452.8
+PRECURSORMZ: 156.09254
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H12
+INCHIKEY: XAABPYINPXYOLM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C2C(=CC=CC2=CC=C1)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 34
+71.08521	34697	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+75.02265	32928	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03043	227511	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+76.53211	39760
+77.03825	128788	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+84.09303	49757	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.1008	49226	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.02254	41516	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.0382	63236	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+98.10859	35998
+102.04598	42781	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+113.03807	33469	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+115.05372	625424	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.05705	75735
+126.04582	68910
+127.0536	65767	"Theoretical m/z 127.054233, Mass diff 0.001 (4.98 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8-H]+, Rule of HR True"
+128.06145	296686	"Theoretical m/z 128.062058, Mass diff 0.001 (4.75 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8]+, Rule of HR False"
+129.06926	148084	"Theoretical m/z 129.069883, Mass diff 0.001 (4.83 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8+H]+, Rule of HR True"
+135.11623	25714
+139.05357	212772	"Theoretical m/z 139.054775, Mass diff 0.001 (0 ppm), Formula C11H7"
+140.06151	46108
+141.0692	2568076	"Theoretical m/z 141.069873, Mass diff 0.001 (4.77 ppm), SMILES C1=CC=C2C(=C1)C=CC=C2C, Annotation [C11H10-H]+, Rule of HR True"
+142.07256	303407
+145.10054	63073	"Theoretical m/z 145.101725, Mass diff 0.001 (0 ppm), Formula C11H13"
+150.04568	72583
+151.05348	90837	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.06131	505871
+153.06909	646457	"Theoretical m/z 153.070425, Mass diff 0.001 (0 ppm), Formula C12H9"
+154.0769	157701
+155.08473	705822	"Theoretical m/z 155.086075, Mass diff 0.001 (0 ppm), Formula C12H11"
+156.09254	2096348
+157.09592	266269
+169.06392	45131
+179.05951	30854
+
+NAME: 7,12-Dimethylbenz[a]anthracene
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2819.7
+PRECURSORMZ: 256.1235
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H16
+INCHIKEY: ARSRBNBHOADGJU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 56
+84.09302	44874	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+93.52644	41870
+94.53421	69040
+100.03033	53251
+101.03818	85749	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+106.53419	95282
+107.54205	50144
+112.03021	107460
+113.03803	365730	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+113.53976	85517
+114.04592	97579
+118.53413	173837
+119.03583	80103
+119.08495	76773	"Theoretical m/z 119.086075, Mass diff 0.001 (0 ppm), Formula C9H11"
+119.54194	748667
+120.04584	417932
+120.54748	109608
+125.03799	174076	"Theoretical m/z 125.039125, Mass diff 0.001 (0 ppm), Formula C10H5"
+125.53972	45009
+126.04582	331602
+126.54748	95571
+127.05364	216975	"Theoretical m/z 127.054775, Mass diff 0.001 (0 ppm), Formula C10H7"
+127.55535	40634
+128.06143	85548	"Theoretical m/z 128.0626, Mass diff 0.001 (0 ppm), Formula C10H8"
+133.04108	180450
+133.54276	38966
+187.05333	39058	"Theoretical m/z 187.054775, Mass diff 0.001 (0 ppm), Formula C15H7"
+189.06879	43220	"Theoretical m/z 189.070425, Mass diff 0.001 (0 ppm), Formula C15H9"
+200.06111	41458
+202.07666	56767
+207.03134	121316
+211.00746	40748
+213.06863	83013	"Theoretical m/z 213.070425, Mass diff 0.001 (0 ppm), Formula C17H9"
+215.08434	120370	"Theoretical m/z 215.086075, Mass diff 0.001 (0 ppm), Formula C17H11"
+224.06088	87081
+226.07658	386192
+227.03868	91324
+228.09245	86886
+229.10039	79651	"Theoretical m/z 229.101179, Mass diff 0.001 (3.44 ppm), SMILES C3=CC=C4C=C2C(C=CC1=CC=CC=C12)=CC4(=C3), Annotation [C18H12+H]+, Rule of HR True"
+237.0687	231618	"Theoretical m/z 237.070425, Mass diff 0.001 (0 ppm), Formula C19H9"
+238.07729	120029
+239.08438	2189590	"Theoretical m/z 239.086075, Mass diff 0.001 (0 ppm), Formula C19H11"
+240.09297	962568
+241.10016	2687882	"Theoretical m/z 241.101169, Mass diff 0.001 (4.19 ppm), SMILES C1=CC=C4C(=C1)C=CC3=CC2=CC=CC=C2C(=C34)C, Annotation [C19H14-H]+, Rule of HR True"
+242.10338	549457
+243.10677	55507
+248.06087	43272
+250.0766	292548
+251.07977	71353
+252.09218	502862
+253.10005	176108
+254.10802	54153
+255.11569	538998	"Theoretical m/z 255.117375, Mass diff 0.001 (0 ppm), Formula C20H15"
+256.12347	3696712	"Theoretical m/z 256.124665, Mass diff 0.001 (4.67 ppm), SMILES C1=CC=C2C(=C1)C=CC=4C2=C(C3=CC=CC=C3C=4C)C, Annotation [C20H16]+, Rule of HR False"
+257.12677	762017
+258.13043	71129
+
+NAME: 2,4-D butyl ester
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1696.6
+PRECURSORMZ: 277.03479
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H14Cl2O3
+INCHIKEY: UQMRAFJOBWOFNS-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 71
+72.98399	280016	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01512	739952	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02296	890446	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.0386	262796	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+82.945	237399	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+83.97619	262549
+84.984	459258	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+86.96327	517055	"Theoretical m/z 86.963767, Mass diff 0 (0 ppm), Formula C3ClO"
+86.99966	230944	"Theoretical m/z 87.000153, Mass diff 0 (0 ppm), Formula C4H4Cl"
+93.03357	256242	"Theoretical m/z 93.03404, Mass diff 0 (0 ppm), Formula C6H5O"
+93.06996	292013	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+96.98403	407852	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.99183	287675
+98.99963	331255	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+106.94502	244617	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+108.98401	2997934	"Theoretical m/z 108.983957, Mass diff 0 (0.49 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99181	474163
+110.98105	914913
+110.99963	2284377	"Theoretical m/z 110.999607, Mass diff 0 (0.21 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.00745	700441
+112.99664	607906
+114.0045	181482
+125.98669	364185
+126.99452	278984	"Theoretical m/z 126.994526, Mass diff 0 (0.04 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO-H]+, Rule of HR True"
+128.00236	493726
+129.01018	480966	"Theoretical m/z 129.010176, Mass diff 0 (0.03 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO+H]+, Rule of HR True"
+132.96066	1944574	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+134.95769	1230944
+136.95476	198017
+139.00575	2145321	"Theoretical m/z 139.008131, Mass diff 0.002 (0 ppm), Formula C5H9Cl2"
+140.00913	203534
+141.00279	855418
+142.98944	225127	"Theoretical m/z 142.989982, Mass diff 0 (0 ppm), Formula C6H4ClO2"
+144.96059	767387	"Theoretical m/z 144.960636, Mass diff 0 (0.32 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2-H]+, Rule of HR True"
+145.96846	192102
+146.97626	2155512	"Theoretical m/z 146.976286, Mass diff 0 (0.18 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2+H]+, Rule of HR True"
+147.9796	194420
+148.97333	1144406
+150.02663	183575
+150.97038	165562
+155.99719	412644
+160.95552	1342911	"Theoretical m/z 160.955555, Mass diff 0 (0.22 ppm), SMILES OC=1C=CC(=CC=1Cl)Cl, Annotation [C6H4Cl2O-H]+, Rule of HR True"
+161.96332	7557064
+162.95254	1492248
+163.96033	4911431
+164.96372	522095
+165.95741	787059
+172.96675	2544409
+173.96996	199556
+174.97108	7107826	"Theoretical m/z 174.971195, Mass diff 0 (0.66 ppm), SMILES O(C=1C=CC(=CC=1Cl)Cl)C, Annotation [C7H6Cl2O-H]+, Rule of HR True"
+175.97893	1542595
+176.96816	3867430
+177.97598	908012
+178.9652	605115
+183.99214	641692
+184.99992	16328618	"Theoretical m/z 185.000003, Mass diff 0 (0.45 ppm), SMILES O=C(O)COC1=CC=C(C=C1)Cl, Annotation [C8H7ClO3-H]+, Rule of HR True"
+186.00324	1614128
+186.99692	5257593	"Theoretical m/z 186.995067, Mass diff -0.002 (0 ppm), Formula C11H4ClO"
+188.00026	449256
+219.96883	2690380
+220.9722	232364
+221.96587	1754729
+223.96291	285691
+241.06258	1361299	"Theoretical m/z 241.062595, Mass diff 0 (0.06 ppm), SMILES O=C(OCCCC)COC1=CC=C(C=C1)Cl, Annotation [C12H15ClO3-H]+, Rule of HR True"
+242.06593	174547
+243.05969	431403
+276.03146	6308882	"Theoretical m/z 276.031464, Mass diff 0 (0.02 ppm), SMILES O=C(OCCCC)COC=1C=CC(=CC=1Cl)Cl, Annotation [C12H14Cl2O3]+, Rule of HR False"
+277.03479	827136
+278.02847	4101512
+279.03183	541891
+280.02557	670761
+
+NAME: Chlorferone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2275.4
+PRECURSORMZ: 210.1277
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H7ClO3
+INCHIKEY: ODZHLDRQCZXQFQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 18
+90.0402	131293
+92.06209	125815
+115.05425	57718	"Theoretical m/z 115.054223, Mass diff 0 (0.23 ppm), SMILES C=C(C1=CC=CC=C1)C, Annotation [C9H10-3H]+, Rule of HR True"
+167.07295	147980
+168.08072	119610
+169.08867	77651
+181.08403	77903
+182.09634	189630
+193.08867	71065
+194.09638	320614
+195.10417	248704
+208.11217	54751
+209.12	126899
+210.12767	4420062
+211.13098	707945
+212.13423	49401
+281.21387	379867
+282.2171	84269
+
+NAME: Carbofuran phenol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1292.2
+PRECURSORMZ: 164.0831
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H12O2
+INCHIKEY: WJGPNUBJBMCRQH-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(CC2=C(O1)C(=CC=C2)O)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 45
+77.03859	1498345	"Theoretical m/z 77.038578, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04644	678582	"Theoretical m/z 78.046403, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05426	516343	"Theoretical m/z 79.054228, Mass diff 0 (0.41 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06992	132229	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+89.03861	280178	"Theoretical m/z 89.038575, Mass diff 0 (0.39 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+91.05427	2556857	"Theoretical m/z 91.054226, Mass diff 0 (0.49 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.06207	329393	"Theoretical m/z 92.062051, Mass diff 0 (0.21 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8]+, Rule of HR False"
+93.06993	1213811	"Theoretical m/z 93.069876, Mass diff 0 (0.58 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+94.04137	1460664	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04918	667801	"Theoretical m/z 95.049141, Mass diff 0 (0.41 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08555	663185	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+102.04642	355470	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05424	4203378	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.05759	422119
+105.03352	457077	"Theoretical m/z 105.033494, Mass diff 0 (0.24 ppm), SMILES OC1=CC=CC(=C1)C, Annotation [C7H8O-3H]+, Rule of HR True"
+106.04134	155068	"Theoretical m/z 106.041319, Mass diff 0 (0.19 ppm), SMILES OC1=CC=CC(=C1)C, Annotation [C7H8O-2H]+, Rule of HR False"
+107.04916	1389070	"Theoretical m/z 107.049141, Mass diff 0 (0.18 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05697	213246	"Theoretical m/z 108.056969, Mass diff 0 (0.01 ppm), SMILES OC1=CC=CC(=C1)C, Annotation [C7H8O]+, Rule of HR False"
+110.03627	465786	"Theoretical m/z 110.036233, Mass diff 0 (0.34 ppm), SMILES OC1=CC=CC=C1(O), Annotation [C6H6O2]+, Rule of HR False"
+115.05424	1217845	"Theoretical m/z 115.054229, Mass diff 0 (0.1 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-5H]+, Rule of HR True"
+116.06208	272820	"Theoretical m/z 116.062054, Mass diff 0 (0.23 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-4H]+, Rule of HR False"
+117.06988	1839836	"Theoretical m/z 117.069879, Mass diff 0 (0.01 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-3H]+, Rule of HR True"
+118.07769	716669
+119.08556	537274	"Theoretical m/z 119.085529, Mass diff 0 (0.26 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-H]+, Rule of HR True"
+121.0648	4498169	"Theoretical m/z 121.064794, Mass diff 0 (0.05 ppm), SMILES O2C=1C=CC=CC=1CC2, Annotation [C8H8O+H]+, Rule of HR True"
+122.03622	3051862	"Theoretical m/z 122.036231, Mass diff 0 (0.09 ppm), SMILES OC1=CC=CC(=C1(O))C, Annotation [C7H8O2-2H]+, Rule of HR False"
+122.06814	386597
+123.04401	3124574	"Theoretical m/z 123.044056, Mass diff 0 (0.37 ppm), SMILES OC1=CC=CC(=C1(O))C, Annotation [C7H8O2-H]+, Rule of HR True"
+124.04749	408478
+129.06985	120172	"Theoretical m/z 129.069869, Mass diff 0 (0.15 ppm), SMILES C=1C=CC(=CC=1)CC(C)C, Annotation [C10H14-5H]+, Rule of HR True"
+131.04916	4808452	"Theoretical m/z 131.049142, Mass diff 0 (0.14 ppm), SMILES O2C=1C=CC=CC=1CC2C, Annotation [C9H10O-3H]+, Rule of HR True"
+132.0525	579684
+134.03618	167471	"Theoretical m/z 134.036231, Mass diff 0 (0.38 ppm), SMILES OC2=CC=CC1=C2(OCC1), Annotation [C8H8O2-2H]+, Rule of HR False"
+135.04404	620262	"Theoretical m/z 135.044056, Mass diff 0 (0.12 ppm), SMILES OC2=CC=CC1=C2(OCC1), Annotation [C8H8O2-H]+, Rule of HR True"
+135.08043	244393	"Theoretical m/z 135.080442, Mass diff 0 (0.09 ppm), SMILES O2C=1C=CC=CC=1CC2C, Annotation [C9H10O+H]+, Rule of HR True"
+136.0519	268958	"Theoretical m/z 136.051881, Mass diff 0 (0.14 ppm), SMILES OC2=CC=CC1=C2(OCC1), Annotation [C8H8O2]+, Rule of HR False"
+145.06476	1355467	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+146.0726	754030	"Theoretical m/z 146.072623, Mass diff 0 (0.16 ppm), SMILES O2C=1C=CC=CC=1CC2(C)C, Annotation [C10H12O-2H]+, Rule of HR False"
+147.0804	1535276	"Theoretical m/z 147.080448, Mass diff 0 (0.32 ppm), SMILES O2C=1C=CC=CC=1CC2(C)C, Annotation [C10H12O-H]+, Rule of HR True"
+148.05179	274697	"Theoretical m/z 148.051886, Mass diff 0 (0.65 ppm), SMILES OC2=CC=CC1=C2(OC(C)C1), Annotation [C9H10O2-2H]+, Rule of HR False"
+149.05963	9142659	"Theoretical m/z 149.059711, Mass diff 0 (0.54 ppm), SMILES OC2=CC=CC1=C2(OC(C)C1), Annotation [C9H10O2-H]+, Rule of HR True"
+150.06297	829935
+163.07532	318554	"Theoretical m/z 163.075905, Mass diff 0 (0 ppm), Formula C10H11O2"
+164.0831	12008478	"Theoretical m/z 164.083176, Mass diff 0 (0.47 ppm), SMILES OC2=CC=CC1=C2(OC(C)(C)C1), Annotation [C10H12O2]+, Rule of HR False"
+165.08644	1301061
+
+NAME: Diazinone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1791
+PRECURSORMZ: 304.09879
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H21N2O3PS
+INCHIKEY: FHIVAFMUCKRCQO-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 88
+77.03818	39241	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04603	38351	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+81.06947	35469
+82.05214	62772	"Theoretical m/z 82.052548, Mass diff 0 (4.97 ppm), SMILES N=C(N)C(C)C, Annotation [C4H10N2-4H]+, Rule of HR False"
+84.04399	364196	"Theoretical m/z 84.044391, Mass diff 0 (4.77 ppm), SMILES N=C(O)C=CC, Annotation [C4H7NO-H]+, Rule of HR True"
+85.10076	175203	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.00547	56395	"Theoretical m/z 86.006445, Mass diff 0 (0 ppm), Formula C3H4NS"
+93.04429	283679	"Theoretical m/z 93.044727, Mass diff 0 (4.7 ppm), SMILES N=1C=NC(=CC=1)C, Annotation [C5H6N2-H]+, Rule of HR True"
+94.04752	72840
+96.0928	53939	"Theoretical m/z 96.0939, Mass diff 0.001 (0 ppm), Formula C7H12"
+98.03574	39923	"Theoretical m/z 98.03709, Mass diff 0.001 (0 ppm), Formula CH9NO2P"
+100.02103	36450	"Theoretical m/z 100.022095, Mass diff 0.001 (0 ppm), Formula C4H6NS"
+102.04596	40179	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+105.06934	36874	"Theoretical m/z 105.070425, Mass diff 0.001 (0 ppm), Formula C8H9"
+107.04859	88664
+109.0101	134575	"Theoretical m/z 109.011196, Mass diff 0.001 (0 ppm), Formula C6H5S"
+109.03906	70684
+110.0179	98039	"Theoretical m/z 110.019332, Mass diff 0.001 (0 ppm), Formula C2H9NPS"
+118.07703	58708	"Theoretical m/z 118.078561, Mass diff 0.001 (0 ppm), Formula C5H13NP"
+119.05978	58807	"Theoretical m/z 119.060373, Mass diff 0.001 (4.98 ppm), SMILES N1=CC=CN=C1C(C)C, Annotation [C7H10N2-3H]+, Rule of HR True"
+120.05637	32300	"Theoretical m/z 120.057515, Mass diff 0.001 (0 ppm), Formula C8H8O"
+120.95011	36321	"Theoretical m/z 120.951312, Mass diff 0.001 (0 ppm), Formula C2H2O2PS"
+121.06419	55834	"Theoretical m/z 121.06534, Mass diff 0.001 (0 ppm), Formula C8H9O"
+123.11616	40691	"Theoretical m/z 123.117375, Mass diff 0.001 (0 ppm), Formula C9H15"
+124.06247	963407
+125.06581	151026
+133.07533	97529	"Theoretical m/z 133.076573, Mass diff 0.001 (0 ppm), Formula C8H9N2"
+134.08314	228672
+135.09094	602628
+136.09874	54139
+137.07019	3143761
+138.07352	443239
+140.03957	67361	"Theoretical m/z 140.038139, Mass diff -0.002 (0 ppm), Formula C3H10NO3S"
+147.09082	129058	"Theoretical m/z 147.092223, Mass diff 0.001 (0 ppm), Formula C9H11N2"
+148.05109	41912	"Theoretical m/z 148.052429, Mass diff 0.001 (0 ppm), Formula C9H8O2"
+149.07004	68635	"Theoretical m/z 149.071488, Mass diff 0.001 (0 ppm), Formula C8H9N2O"
+149.10649	32301	"Theoretical m/z 149.107873, Mass diff 0.001 (0 ppm), Formula C9H13N2"
+151.08571	557692
+152.06122	38991
+152.09352	767344
+153.1013	892545
+154.10469	181930
+156.9865	53409	"Theoretical m/z 156.987697, Mass diff 0.001 (0 ppm), Formula C6H6OPS"
+161.10632	63700	"Theoretical m/z 161.107873, Mass diff 0.001 (0 ppm), Formula C10H13N2"
+162.11423	336056	"Theoretical m/z 162.113018, Mass diff -0.002 (0 ppm), Formula C7H16NO3"
+163.12201	371687	"Theoretical m/z 163.123523, Mass diff 0.001 (0 ppm), Formula C10H15N2"
+164.12987	198059	"Theoretical m/z 164.128668, Mass diff -0.002 (0 ppm), Formula C7H18NO3"
+165.06894	48929
+165.10121	53263	"Theoretical m/z 165.102788, Mass diff 0.001 (0 ppm), Formula C9H13N2O"
+166.04349	37830	"Theoretical m/z 166.045547, Mass diff 0.002 (0 ppm), Formula C5H13NOPS"
+167.06277	182059	"Theoretical m/z 167.060923, Mass diff -0.002 (0 ppm), Formula C11H7N2"
+168.0706	80588	"Theoretical m/z 168.068748, Mass diff -0.002 (0 ppm), Formula C11H8N2"
+179.11682	2835299	"Theoretical m/z 179.118438, Mass diff 0.001 (0 ppm), Formula C10H15N2O"
+180.12015	516586
+181.06375	46647	"Theoretical m/z 181.064688, Mass diff 0 (0 ppm), Formula C5H13N2O3S"
+181.12334	46620
+183.03067	150749	"Theoretical m/z 183.032339, Mass diff 0.001 (0 ppm), Formula C7H8N2O2P"
+195.09395	159379	"Theoretical m/z 195.093877, Mass diff -0.001 (0 ppm), Formula C11H16OP"
+197.0463	36987	"Theoretical m/z 197.047989, Mass diff 0.001 (0 ppm), Formula C8H10N2O2P"
+199.0619	1443884	"Theoretical m/z 199.063639, Mass diff 0.001 (0 ppm), Formula C8H12N2O2P"
+201.07204	54303	"Theoretical m/z 201.071427, Mass diff -0.001 (0 ppm), Formula C6H18O3PS"
+208.03038	78633
+215.05679	399816
+216.04695	378594
+217.08902	54073
+220.0054	71227
+227.09311	795228
+228.09648	110666
+231.0339	258107
+233.01314	242301
+233.06741	55761
+234.01662	53648
+243.08798	84871
+247.02861	104826
+248.03664	348169
+248.98703	35499	"Theoretical m/z 248.98876, Mass diff 0.001 (0 ppm), Formula C10H6N2O2PS"
+249.03967	71709
+249.86086	33676
+250.03235	36632
+259.06516	74975	"Theoretical m/z 259.066455, Mass diff 0.001 (5 ppm), SMILES N1=C(OP(OCC)=S)C=C(N=C1C(C)C)C, Annotation [C10H17N2O2PS-H]+, Rule of HR True"
+261.04431	129892
+276.06769	619807
+277.07089	49960
+278.06335	43215
+289.07553	176082
+304.09879	581911
+305.10251	79613
+306.09433	42823
+
+NAME: Dimethachlor
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1854.5
+PRECURSORMZ: 224.08272
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H18ClNO2
+INCHIKEY: SCCDDNKJYDZXMM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 30
+77.03824	8442972	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04609	2315382	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05389	6660066	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+90.04605	1787125	"Theoretical m/z 90.046401, Mass diff 0 (3.89 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-2H]+, Rule of HR False"
+103.05378	6729045	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06944	8433654	"Theoretical m/z 105.069873, Mass diff 0 (4.13 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+107.08506	1752862	"Theoretical m/z 107.085524, Mass diff 0 (4.33 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10+H]+, Rule of HR True"
+115.05373	2485854	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.05676	19419684	"Theoretical m/z 117.057301, Mass diff 0.001 (4.62 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-4H]+, Rule of HR False"
+118.06455	8182638	"Theoretical m/z 118.065126, Mass diff 0.001 (4.88 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-3H]+, Rule of HR True"
+119.07242	3736834	"Theoretical m/z 119.072951, Mass diff 0.001 (4.46 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-2H]+, Rule of HR False"
+120.08023	5080055	"Theoretical m/z 120.080776, Mass diff 0.001 (4.55 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-H]+, Rule of HR True"
+121.08803	2571292	"Theoretical m/z 121.088601, Mass diff 0.001 (4.71 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N]+, Rule of HR False"
+130.06458	6459326	"Theoretical m/z 130.065674, Mass diff 0.001 (0 ppm), Formula C9H8N"
+131.0724	6767939	"Theoretical m/z 131.072949, Mass diff 0.001 (4.19 ppm), SMILES C1=CC(=C(NC)C(=C1)C)C, Annotation [C9H13N-4H]+, Rule of HR False"
+132.08022	31652142	"Theoretical m/z 132.080774, Mass diff 0.001 (4.19 ppm), SMILES C1=CC(=C(NC)C(=C1)C)C, Annotation [C9H13N-3H]+, Rule of HR True"
+133.08806	7151473	"Theoretical m/z 133.088599, Mass diff 0.001 (4.05 ppm), SMILES C1=CC(=C(NC)C(=C1)C)C, Annotation [C9H13N-2H]+, Rule of HR False"
+134.09578	169367808	"Theoretical m/z 134.096424, Mass diff 0.001 (4.8 ppm), SMILES C1=CC(=C(NC)C(=C1)C)C, Annotation [C9H13N-H]+, Rule of HR True"
+135.09906	16731885
+144.08011	1852855	"Theoretical m/z 144.081324, Mass diff 0.001 (0 ppm), Formula C10H10N"
+146.09572	4247811	"Theoretical m/z 146.096429, Mass diff 0.001 (4.85 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-3H]+, Rule of HR True"
+148.07492	31507712
+149.07829	2681920
+174.09047	6755013	"Theoretical m/z 174.091333, Mass diff 0.001 (4.96 ppm), SMILES O=C(N(C1=C(C=CC=C1C)C)C)C, Annotation [C11H15NO-3H]+, Rule of HR True"
+197.05917	54084204
+198.0625	5111944
+199.0562	17760524	"Theoretical m/z 199.052582, Mass diff -0.004 (0 ppm), Formula C10H12ClO2"
+206.11658	6749418	"Theoretical m/z 206.117557, Mass diff 0.001 (4.74 ppm), SMILES O=CN(C1=C(C=CC=C1C)C)CCOC, Annotation [C12H17NO2-H]+, Rule of HR True"
+210.067	11076976	"Theoretical m/z 210.068012, Mass diff 0.001 (4.82 ppm), SMILES O=C(N(C1=C(C=CC=C1C)C)C)CCl, Annotation [C11H14ClNO-H]+, Rule of HR True"
+212.06403	2246256
+
+NAME: Alachlor
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1889.5
+PRECURSORMZ: 269.11649
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H20ClNO2
+INCHIKEY: XCSGPAVHZFQHGE-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 69
+77.03823	7568278	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04607	1958012	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05389	3875013	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+89.03818	4174972	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04605	4008230	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+94.04094	5450376	"Theoretical m/z 94.041313, Mass diff 0 (-3.97 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+102.04598	1895666	"Theoretical m/z 102.046398, Mass diff 0 (4.1 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05379	6671387	"Theoretical m/z 103.054223, Mass diff 0 (4.21 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+104.04901	2498066	"Theoretical m/z 104.050024, Mass diff 0 (0 ppm), Formula C7H6N"
+105.06945	5419889	"Theoretical m/z 105.069873, Mass diff 0 (4.03 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-H]+, Rule of HR True"
+106.06464	1414291	"Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N"
+115.05373	12298480	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.0615	4195534	"Theoretical m/z 116.062054, Mass diff 0.001 (4.77 ppm), SMILES C1=CC(=CC(=C1)CC)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.05676	23782030	"Theoretical m/z 117.057849, Mass diff 0.001 (0 ppm), Formula C8H7N"
+118.06455	20299488	"Theoretical m/z 118.065674, Mass diff 0.001 (0 ppm), Formula C8H8N"
+119.0724	4996824	"Theoretical m/z 119.073499, Mass diff 0.001 (0 ppm), Formula C8H9N"
+120.08023	4894228	"Theoretical m/z 120.081324, Mass diff 0.001 (0 ppm), Formula C8H10N"
+121.06421	1494066	"Theoretical m/z 121.06534, Mass diff 0.001 (0 ppm), Formula C8H9O"
+128.06145	6101180	"Theoretical m/z 128.0626, Mass diff 0.001 (0 ppm), Formula C10H8"
+129.06926	2647663	"Theoretical m/z 129.070425, Mass diff 0.001 (0 ppm), Formula C10H9"
+130.06456	23158292	"Theoretical m/z 130.065674, Mass diff 0.001 (0 ppm), Formula C9H8N"
+131.07236	14648666	"Theoretical m/z 131.073499, Mass diff 0.001 (0 ppm), Formula C9H9N"
+132.08017	31843550	"Theoretical m/z 132.081324, Mass diff 0.001 (0 ppm), Formula C9H10N"
+133.08353	5109560
+134.0958	1855436	"Theoretical m/z 134.096974, Mass diff 0.001 (0 ppm), Formula C9H12N"
+142.06447	2507172	"Theoretical m/z 142.065674, Mass diff 0.001 (0 ppm), Formula C10H8N"
+143.0723	4522454	"Theoretical m/z 143.073499, Mass diff 0.001 (0 ppm), Formula C10H9N"
+144.08009	9888587	"Theoretical m/z 144.081324, Mass diff 0.001 (0 ppm), Formula C10H10N"
+145.08788	5190496	"Theoretical m/z 145.088604, Mass diff 0.001 (4.99 ppm), SMILES NC1=C(C=CC=C1CC)CC, Annotation [C10H15N-4H]+, Rule of HR False"
+146.0957	30555928	"Theoretical m/z 146.096429, Mass diff 0.001 (4.99 ppm), SMILES NC1=C(C=CC=C1CC)CC, Annotation [C10H15N-3H]+, Rule of HR True"
+147.10348	13604467
+148.11131	13066212
+149.09532	3240290	"Theoretical m/z 149.09664, Mass diff 0.001 (0 ppm), Formula C10H13O"
+156.07997	1549189	"Theoretical m/z 156.081324, Mass diff 0.001 (0 ppm), Formula C11H10N"
+158.09567	10184530	"Theoretical m/z 158.096974, Mass diff 0.001 (0 ppm), Formula C11H12N"
+159.10347	4369316	"Theoretical m/z 159.104244, Mass diff 0.001 (4.87 ppm), SMILES C1=CC(=C(NC)C(=C1)CC)CC, Annotation [C11H17N-4H]+, Rule of HR False"
+160.11125	102146440	"Theoretical m/z 160.112069, Mass diff 0.001 (5.12 ppm), SMILES C1=CC(=C(NC)C(=C1)CC)CC, Annotation [C11H17N-3H]+, Rule of HR True"
+161.11459	16693021
+162.12688	14955401
+163.13023	1527220
+170.09555	3598487	"Theoretical m/z 170.096974, Mass diff 0.001 (0 ppm), Formula C12H12N"
+171.10333	1876378
+172.11116	9023941	"Theoretical m/z 172.112624, Mass diff 0.001 (0 ppm), Formula C12H14N"
+173.11456	2522516
+174.09044	7379640
+175.09827	3954910
+176.10611	2257050	"Theoretical m/z 176.106983, Mass diff 0.001 (4.96 ppm), SMILES O=CNC1=C(C=CC=C1CC)CC, Annotation [C11H15NO-H]+, Rule of HR True"
+186.09042	6103910	"Theoretical m/z 186.091889, Mass diff 0.001 (0 ppm), Formula C12H12NO"
+188.106	75334808
+189.1093	9382458
+190.12161	8082673
+194.07208	2682088	"Theoretical m/z 194.073165, Mass diff 0.001 (0 ppm), Formula C14H10O"
+196.06903	1382105
+202.12161	15767341
+203.12505	2163468
+206.0721	15590050	"Theoretical m/z 206.073652, Mass diff 0.001 (0 ppm), Formula C12H13ClN"
+207.07539	2874923
+208.0692	7238454
+210.06715	1062715
+222.06699	1563068	"Theoretical m/z 222.068017, Mass diff 0.001 (4.63 ppm), SMILES O=C(N(C1=C(C=CC=C1CC)C)C)CCl, Annotation [C12H16ClNO-3H]+, Rule of HR True"
+224.08256	12096892	"Theoretical m/z 224.083667, Mass diff 0.001 (4.94 ppm), SMILES O=C(NC1=C(C=CC=C1CC)CC)CCl, Annotation [C12H16ClNO-H]+, Rule of HR True"
+225.08577	1165887
+226.07964	4349614
+234.1477	3188662	"Theoretical m/z 234.148853, Mass diff 0.001 (4.92 ppm), SMILES O=C(N(C1=C(C=CC=C1CC)CC)COC)C, Annotation [C14H21NO2-H]+, Rule of HR True"
+237.09036	10079488
+238.09837	13630332	"Theoretical m/z 238.099323, Mass diff 0.001 (4 ppm), SMILES O=C(N(C1=C(C=CC=C1CC)CC)C)CCl, Annotation [C13H18ClNO-H]+, Rule of HR True"
+239.08743	5229282	"Theoretical m/z 239.083882, Mass diff -0.004 (0 ppm), Formula C13H16ClO2"
+240.09541	4476980
+269.11649	1079541	"Theoretical m/z 269.117707, Mass diff 0.001 (4.52 ppm), SMILES O=C(N(C=1C(=CC=CC=1CC)CC)COC)CCl, Annotation [C14H20ClNO2]+, Rule of HR False"
+
+NAME: Chlorpyrifos
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1977.2
+PRECURSORMZ: 319.93759
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H11Cl3NO3PS
+INCHIKEY: SBPBAQFWLVIOKP-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 107
+78.93982	1585800	"Theoretical m/z 78.940747, Mass diff 0 (0 ppm), Formula OPS"
+79.92519	1243390
+80.91537	1744961
+80.9732	1692867	"Theoretical m/z 80.974156, Mass diff 0 (0 ppm), Formula H2O3P"
+81.92314	430159
+83.97568	417928	"Theoretical m/z 83.976988, Mass diff 0.001 (0 ppm), Formula H4ClNP"
+90.99391	819982	"Theoretical m/z 90.994891, Mass diff 0 (0 ppm), Formula C2H4O2P"
+93.00957	784607	"Theoretical m/z 93.010541, Mass diff 0 (0 ppm), Formula C2H6O2P"
+95.94243	700316	"Theoretical m/z 95.940779, Mass diff -0.002 (0 ppm), Formula CCl2N"
+96.95029	40313260	"Theoretical m/z 96.951312, Mass diff 0 (0 ppm), Formula H2O2PS"
+97.9787	6827676	"Theoretical m/z 97.979575, Mass diff 0 (0 ppm), Formula C3HNOP"
+98.94606	2634008
+99.97572	2080848
+106.94442	5660075	"Theoretical m/z 106.945354, Mass diff 0 (0 ppm), Formula C2HClOP"
+107.93957	569903
+108.94148	6161204
+109.00435	2534409	"Theoretical m/z 109.005456, Mass diff 0.001 (0 ppm), Formula C2H6O3P"
+109.97861	1019699	"Theoretical m/z 109.979575, Mass diff 0 (0 ppm), Formula C4HNOP"
+110.9385	715722
+113.95292	1861336	"Theoretical m/z 113.951344, Mass diff -0.002 (0 ppm), Formula CH2Cl2NO"
+114.96072	6163504	"Theoretical m/z 114.961877, Mass diff 0.001 (0 ppm), Formula H4O3PS"
+118.94447	527656	"Theoretical m/z 118.945354, Mass diff 0 (0 ppm), Formula C3HClOP"
+124.98142	1222187
+129.95058	702106	"Theoretical m/z 129.951646, Mass diff 0.001 (0 ppm), Formula C3HNOPS"
+131.94762	412046
+132.94737	1672786	"Theoretical m/z 132.945924, Mass diff -0.002 (0 ppm), Formula CH3Cl2O3"
+133.95514	2565760	"Theoretical m/z 133.956253, Mass diff 0.001 (0 ppm), Formula C3H2ClNOP"
+134.94438	1063115	"Theoretical m/z 134.945833, Mass diff 0.001 (0 ppm), Formula C6PS"
+135.95218	1564984
+143.93945	1375465
+145.93645	896923
+160.94206	1257024
+161.94984	995550
+162.93913	846103	"Theoretical m/z 162.938731, Mass diff -0.001 (0 ppm), Formula C2H5Cl2O2S"
+163.94687	598115	"Theoretical m/z 163.949059, Mass diff 0.002 (0 ppm), Formula C4H4ClNPS"
+165.92697	654416	"Theoretical m/z 165.928324, Mass diff 0.001 (0 ppm), Formula C3H2ClNOPS"
+167.91597	3659306	"Theoretical m/z 167.917281, Mass diff 0.001 (0 ppm), Formula C3HCl2NOP"
+168.92377	7279685
+169.91298	3588500	"Theoretical m/z 169.909608, Mass diff -0.004 (0 ppm), Formula H4Cl3NOP"
+170.92078	7108788	"Theoretical m/z 170.920494, Mass diff -0.001 (0 ppm), Formula CH6Cl3OS"
+171.90996	1777230	"Theoretical m/z 171.912195, Mass diff 0.002 (0 ppm), Formula C2HCl2NO2P"
+171.9705	722828	"Theoretical m/z 171.971903, Mass diff 0.001 (0 ppm), Formula C6H4ClNOP"
+172.91786	2368173	"Theoretical m/z 172.914838, Mass diff -0.004 (0 ppm), Formula C3H4Cl2PS"
+177.92682	818007	"Theoretical m/z 177.928324, Mass diff 0.001 (0 ppm), Formula C4H2ClNOPS"
+179.91586	2530238
+181.91286	1814304	"Theoretical m/z 181.909608, Mass diff -0.004 (0 ppm), Formula CH4Cl3NOP"
+183.90988	495533
+189.98093	569844	"Theoretical m/z 189.982468, Mass diff 0.001 (0 ppm), Formula C6H6ClNO2P"
+193.92152	756917	"Theoretical m/z 193.923239, Mass diff 0.001 (0 ppm), Formula C4H2ClNO2PS"
+195.91879	440344	"Theoretical m/z 195.917759, Mass diff -0.002 (0 ppm), Formula C7ClNPS"
+196.9185	36694012
+197.92644	4557616
+198.91551	35393472	"Theoretical m/z 198.915408, Mass diff -0.001 (0 ppm), Formula C2H6Cl3O2S"
+199.92346	4775898	"Theoretical m/z 199.922366, Mass diff -0.002 (0 ppm), Formula C7HCl2NP"
+200.91254	11553417	"Theoretical m/z 200.909929, Mass diff -0.003 (0 ppm), Formula C5H4Cl3S"
+201.92049	1764480	"Theoretical m/z 201.92276, Mass diff 0.002 (0 ppm), Formula C3H3Cl2NO3P"
+202.90955	1181031
+206.93932	1749968	"Theoretical m/z 206.940269, Mass diff 0 (0 ppm), Formula C9HClO2P"
+207.94707	10788566	"Theoretical m/z 207.948581, Mass diff 0.001 (0 ppm), Formula C6H5Cl2NOP"
+208.93626	2640552	"Theoretical m/z 208.936144, Mass diff -0.001 (0 ppm), Formula C4H8Cl3OS"
+209.94409	10202649	"Theoretical m/z 209.941652, Mass diff -0.003 (0 ppm), Formula C8HClNO2S"
+210.9474	1412133
+211.88779	1104476	"Theoretical m/z 211.889352, Mass diff 0.001 (0 ppm), Formula C4HCl2NOPS"
+211.94112	4333986	"Theoretical m/z 211.943495, Mass diff 0.002 (0 ppm), Formula C5H5Cl2NO2P"
+212.8956	7137650	"Theoretical m/z 212.894673, Mass diff -0.001 (0 ppm), Formula C2H4Cl3O3S"
+213.8849	1764534	"Theoretical m/z 213.881679, Mass diff -0.004 (0 ppm), Formula CH4Cl3NOPS"
+213.899	663070
+214.89259	6606239	"Theoretical m/z 214.889194, Mass diff -0.004 (0 ppm), Formula C5H2Cl3OS"
+215.88174	664421	"Theoretical m/z 215.884266, Mass diff 0.002 (0 ppm), Formula C3HCl2NO2PS"
+216.88968	2324226
+225.93878	489122	"Theoretical m/z 225.938016, Mass diff -0.001 (0 ppm), Formula C9H3Cl2NP"
+229.87967	640955	"Theoretical m/z 229.876594, Mass diff -0.004 (0 ppm), Formula CH4Cl3NO2PS"
+239.88225	427788	"Theoretical m/z 239.884266, Mass diff 0.001 (0 ppm), Formula C5HCl2NO2PS"
+240.92662	463998	"Theoretical m/z 240.92799, Mass diff 0.001 (0 ppm), Formula C9H3ClO2PS"
+242.92395	486628	"Theoretical m/z 242.920494, Mass diff -0.004 (0 ppm), Formula C7H6Cl3OS"
+243.88699	4519739	"Theoretical m/z 243.888873, Mass diff 0.001 (0 ppm), Formula C5H2Cl3NO2P"
+245.88402	4223773	"Theoretical m/z 245.883394, Mass diff -0.001 (0 ppm), Formula C8Cl3NP"
+247.88109	1369686	"Theoretical m/z 247.883788, Mass diff 0.002 (0 ppm), Formula C4H2Cl3NO3P"
+256.88507	3421436
+257.89288	31084750	"Theoretical m/z 257.894831, Mass diff 0.001 (0 ppm), Formula C5H3Cl2NO3PS"
+258.8822	3825239	"Theoretical m/z 258.879023, Mass diff -0.004 (0 ppm), Formula C6H2Cl3O3S"
+259.88986	21598186	"Theoretical m/z 259.889528, Mass diff -0.001 (0 ppm), Formula C9HCl3NS"
+260.89352	1413432
+261.8866	4314280
+275.85889	3829081
+276.84805	405806	"Theoretical m/z 276.84496, Mass diff -0.004 (0 ppm), Formula C5HCl3O3PS"
+277.8559	4171770	"Theoretical m/z 277.855465, Mass diff -0.001 (0 ppm), Formula C8Cl3NPS"
+279.85281	1626363	"Theoretical m/z 279.855859, Mass diff 0.002 (0 ppm), Formula C4H2Cl3NO3PS"
+284.9158	518854
+285.92404	14144100
+286.92767	1298717
+287.92099	11001270	"Theoretical m/z 287.918459, Mass diff -0.003 (0 ppm), Formula C4H10Cl3NO3PS"
+288.92483	716388
+289.91806	3346028	"Theoretical m/z 289.921222, Mass diff 0.003 (0 ppm), Formula C7H7Cl3NO3S"
+291.85373	1992590
+291.90671	592455
+293.85071	2569438	"Theoretical m/z 293.850379, Mass diff -0.001 (0 ppm), Formula C8Cl3NOPS"
+295.8476	1313956
+303.88998	1159838
+305.8869	1213005
+312.94742	490437
+313.95514	25798238
+314.95871	2621611
+315.95203	17337526
+316.95572	1594724
+317.94913	3444610
+447.34415	603101
+
+NAME: Fenoxaprop-ethyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2684.3
+PRECURSORMZ: 361.06937
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H16ClNO5
+INCHIKEY: PQKBPHSEKWERTG-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 79
+73.02811	327646	"Theoretical m/z 73.028408, Mass diff 0 (4.08 ppm), SMILES O=COCC, Annotation [C3H6O2-H]+, Rule of HR True"
+75.02259	1189232	"Theoretical m/z 75.022928, Mass diff 0 (4.5 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+76.03041	1501106	"Theoretical m/z 76.030753, Mass diff 0 (4.51 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03823	574706	"Theoretical m/z 77.038578, Mass diff 0 (4.51 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.92526	299320
+81.06953	444271	"Theoretical m/z 81.069878, Mass diff 0 (-4.29 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+81.92322	316244
+94.04093	5538787	"Theoretical m/z 94.041313, Mass diff 0 (-4.07 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04871	794984	"Theoretical m/z 95.049141, Mass diff 0 (-4.53 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08513	881668	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+109.02795	377308	"Theoretical m/z 109.028408, Mass diff 0 (4.2 ppm), SMILES OC1=CC=C(O)C=C1, Annotation [C6H6O2-H]+, Rule of HR True"
+111.99434	535966	"Theoretical m/z 111.994915, Mass diff 0 (0 ppm), Formula C8O"
+113.99142	300272
+119.0486	4224172	"Theoretical m/z 119.049142, Mass diff 0.001 (4.55 ppm), SMILES O(C1=CC=CC=C1)CC, Annotation [C8H10O-3H]+, Rule of HR True"
+120.05641	1338851	"Theoretical m/z 120.056967, Mass diff 0.001 (4.64 ppm), SMILES O(C1=CC=CC=C1)CC, Annotation [C8H10O-2H]+, Rule of HR False"
+121.02786	1391518	"Theoretical m/z 121.028406, Mass diff 0.001 (4.51 ppm), SMILES OC1=CC=C(OC)C=C1, Annotation [C7H8O2-3H]+, Rule of HR True"
+123.99429	395623	"Theoretical m/z 123.994851, Mass diff 0.001 (4.53 ppm), SMILES NC1=CC=C(C=C1)Cl, Annotation [C6H6ClN-3H]+, Rule of HR True"
+125.03804	457464	"Theoretical m/z 125.039125, Mass diff 0.001 (0 ppm), Formula C10H5"
+126.04579	744426
+127.04107	639783	"Theoretical m/z 127.042199, Mass diff 0.001 (0 ppm), Formula C9H5N"
+139.98909	1833257	"Theoretical m/z 139.98977, Mass diff 0.001 (4.86 ppm), SMILES OC=1C=C(C=CC=1(N))Cl, Annotation [C6H6ClNO-3H]+, Rule of HR True"
+141.98616	574828
+144.02017	941980
+145.01863	339691
+152.04875	623897	"Theoretical m/z 152.047344, Mass diff -0.002 (0 ppm), Formula C8H8O3"
+153.05652	1821893	"Theoretical m/z 153.057849, Mass diff 0.001 (0 ppm), Formula C11H7N"
+154.06436	1237981	"Theoretical m/z 154.065674, Mass diff 0.001 (0 ppm), Formula C11H8N"
+162.00969	1327979	"Theoretical m/z 162.011052, Mass diff 0.001 (0 ppm), Formula C9H5ClN"
+164.04866	1161164
+165.05649	1201932
+166.00458	437575	"Theoretical m/z 166.005966, Mass diff 0.001 (0 ppm), Formula C8H5ClNO"
+167.98386	1145919	"Theoretical m/z 167.984684, Mass diff 0.001 (4.9 ppm), SMILES OC1=NC=2C=CC(=CC=2(O1))Cl, Annotation [C7H4ClNO2-H]+, Rule of HR True"
+168.99164	702260
+169.98084	435745	"Theoretical m/z 169.979752, Mass diff -0.002 (0 ppm), Formula C10HClN"
+170.05916	1119927	"Theoretical m/z 170.060589, Mass diff 0.001 (0 ppm), Formula C11H8NO"
+173.01442	324207	"Theoretical m/z 173.015803, Mass diff 0.001 (0 ppm), Formula C11H6Cl"
+180.02016	756685	"Theoretical m/z 180.021617, Mass diff 0.001 (0 ppm), Formula C9H7ClNO"
+180.08	446325	"Theoretical m/z 180.08078, Mass diff -0.001 (-4.33 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.05136	523721
+182.05911	4272500
+183.06261	609850
+188.02519	1861648	"Theoretical m/z 188.026702, Mass diff 0.001 (0 ppm), Formula C11H7ClN"
+189.02855	336461
+190.0222	654382
+200.02513	316380	"Theoretical m/z 200.026702, Mass diff 0.001 (0 ppm), Formula C12H7ClN"
+204.02	482956	"Theoretical m/z 204.021617, Mass diff 0.001 (0 ppm), Formula C11H7ClNO"
+205.02798	328710	"Theoretical m/z 205.028954, Mass diff 0 (0 ppm), Formula C14H5O2"
+207.03131	705223	"Theoretical m/z 207.031475, Mass diff 0 (0.8 ppm), SMILES N2=C(OC1=CC=CC=C1)OC=3C=CC=CC2=3, Annotation [C13H9NO2-4H]+, Rule of HR False"
+209.04614	362480
+209.08269	934678
+216.02004	970263	"Theoretical m/z 216.021617, Mass diff 0.001 (0 ppm), Formula C12H7ClNO"
+217.02795	982305	"Theoretical m/z 217.028954, Mass diff 0 (0 ppm), Formula C15H5O2"
+218.01698	501890
+219.02487	296926	"Theoretical m/z 219.023475, Mass diff -0.002 (0 ppm), Formula C18H3"
+232.01494	879410	"Theoretical m/z 232.016531, Mass diff 0.001 (0 ppm), Formula C12H7ClNO2"
+233.02292	540125
+234.0118	327855	"Theoretical m/z 234.011052, Mass diff -0.001 (0 ppm), Formula C15H5ClN"
+238.04875	1321828	"Theoretical m/z 238.048225, Mass diff -0.001 (0 ppm), Formula C8H13ClNO5"
+242.03564	1270350	"Theoretical m/z 242.037267, Mass diff 0.001 (0 ppm), Formula C14H9ClNO"
+244.05128	2840642	"Theoretical m/z 244.052917, Mass diff 0.001 (0 ppm), Formula C14H11ClNO"
+245.05446	467422
+246.04817	1010811	"Theoretical m/z 246.052823, Mass diff 0.004 (0 ppm), Formula C13H10O5"
+259.00201	412450	"Theoretical m/z 259.003088, Mass diff 0.001 (4.16 ppm), SMILES OC3=CC=C(OC1=NC=2C=CC(=CC=2(O1))Cl)C=C3, Annotation [C13H8ClNO3-2H]+, Rule of HR False"
+260.04614	3007942	"Theoretical m/z 260.047831, Mass diff 0.001 (0 ppm), Formula C14H11ClNO2"
+261.01758	7723234	"Theoretical m/z 261.018739, Mass diff 0.001 (4.44 ppm), SMILES OC3=CC=C(OC1=NC=2C=CC(=CC=2(O1))Cl)C=C3, Annotation [C13H8ClNO3]+, Rule of HR False"
+262.02081	1923819
+263.01465	2455840	"Theoretical m/z 263.011111, Mass diff -0.004 (0 ppm), Formula C13H8ClO4"
+264.01773	314205
+270.03049	1483589	"Theoretical m/z 270.031646, Mass diff 0.001 (4.28 ppm), SMILES N(=COC1=CC=C(OCC)C=C1)C2=CC=C(C=C2)Cl, Annotation [C15H14ClNO2-5H]+, Rule of HR True"
+272.02753	760118
+287.03305	296198	"Theoretical m/z 287.034369, Mass diff 0.001 (4.6 ppm), SMILES N2=C(OC1=CC=C(OCC)C=C1)OC=3C=C(C=CC2=3)Cl, Annotation [C15H12ClNO3-2H]+, Rule of HR False"
+288.04086	28911986	"Theoretical m/z 288.042194, Mass diff 0.001 (4.63 ppm), SMILES N2=C(OC1=CC=C(OCC)C=C1)OC=3C=C(C=CC2=3)Cl, Annotation [C15H12ClNO3-H]+, Rule of HR True"
+289.04425	4778336
+290.03787	9441578	"Theoretical m/z 290.037267, Mass diff -0.001 (0 ppm), Formula C18H9ClNO"
+291.04123	1507853
+361.06937	19323494	"Theoretical m/z 361.071168, Mass diff 0.002 (4.98 ppm), SMILES O=C(OCC)C(OC3=CC=C(OC1=NC=2C=CC(=CC=2(O1))Cl)C=C3)C, Annotation [C18H16ClNO5]+, Rule of HR False"
+362.07282	3662082
+363.0661	5954165
+364.06961	1150464
+
+NAME: Atrazine
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1730.4
+PRECURSORMZ: 215.0921
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H14ClN5
+INCHIKEY: MXWJVTOOROXGIU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCNC1=NC(=NC(=N1)Cl)NC(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 75
+70.07738	261744	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.06	172547
+79.05386	328258	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.04911	107632	"Theoretical m/z 80.050024, Mass diff 0 (0 ppm), Formula C5H6N"
+81.06952	97629	"Theoretical m/z 81.069878, Mass diff 0 (-4.41 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07732	207044	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08512	204813	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.09296	125902	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.10078	443984	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.99442	161318	"Theoretical m/z 87.995402, Mass diff 0 (0 ppm), Formula C3H3ClN"
+88.97107	196092
+90.0101	172752	"Theoretical m/z 90.011052, Mass diff 0 (0 ppm), Formula C3H5ClN"
+91.51465	86883
+92.05714	96909
+92.06162	91527	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+92.52242	1090487
+93.00958	412070
+93.52097	236223
+97.02797	84433	"Theoretical m/z 97.028099, Mass diff 0 (0 ppm), Formula H6ClN4"
+99.53011	70571
+101.52764	74698
+104.00047	976893
+105.0209	690149	"Theoretical m/z 105.021404, Mass diff 0 (4.8 ppm), SMILES N(=CCl)CNC, Annotation [C3H7ClN2-H]+, Rule of HR True"
+105.99753	474886
+106.04075	69716	"Theoretical m/z 106.040522, Mass diff -0.001 (0 ppm), Formula C5H4N3"
+107.01794	269665
+109.1006	137269	"Theoretical m/z 109.101725, Mass diff 0.001 (0 ppm), Formula C8H13"
+110.04558	651494	"Theoretical m/z 110.04667, Mass diff 0.001 (0 ppm), Formula C3H4N5"
+110.07068	76115
+111.11627	123377	"Theoretical m/z 111.117375, Mass diff 0.001 (0 ppm), Formula C8H15"
+116.00039	107534
+117.00822	119898
+117.06925	157369
+119.03648	183176	"Theoretical m/z 119.037052, Mass diff 0.001 (4.8 ppm), SMILES N(=CCl)CNCC, Annotation [C4H9ClN2-H]+, Rule of HR True"
+119.08498	199018
+123.06579	239874
+130.01602	627085	"Theoretical m/z 130.016656, Mass diff 0.001 (4.89 ppm), SMILES N=C(N=CCl)NCC, Annotation [C4H8ClN3-3H]+, Rule of HR True"
+131.01115	366426
+132.03165	945436	"Theoretical m/z 132.032306, Mass diff 0.001 (4.97 ppm), SMILES N=C(N=CCl)NCC, Annotation [C4H8ClN3-H]+, Rule of HR True"
+133.01285	166104
+133.03499	108959
+134.02866	280418
+135.0658	145267
+136.06105	233412
+139.08002	182459
+142.9919	184538
+145.01421	638693
+146.022	171425
+147.01125	106950
+150.07671	78096	"Theoretical m/z 150.077417, Mass diff 0.001 (4.71 ppm), SMILES N1=CN=C(N=C1N)NC(C)C, Annotation [C6H11N5-3H]+, Rule of HR True"
+152.09222	166058
+158.02193	850716
+159.02351	233090
+159.04242	82015	"Theoretical m/z 159.043196, Mass diff 0.001 (4.88 ppm), SMILES N=1C=NC(=NC=1NCC)Cl, Annotation [C5H7ClN4+H]+, Rule of HR True"
+160.01897	356657
+164.09219	245467
+172.03751	1351730
+173.04529	1792233
+174.03455	653244
+175.04231	580003
+176.04572	108899
+180.12338	150248
+184.08728	126076
+188.0502	70002
+189.05804	95496
+198.05301	195391	"Theoretical m/z 198.054648, Mass diff 0.001 (0 ppm), Formula C7H9ClN5"
+200.06863	6802994
+201.07194	505458
+202.06563	2472036
+203.06898	254460
+214.08426	385837	"Theoretical m/z 214.085948, Mass diff 0.001 (0 ppm), Formula C8H13ClN5"
+215.0921	2052648
+216.09541	249078
+217.08914	867877
+218.09242	127146
+
+NAME: Malathion
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1964.4
+PRECURSORMZ: 173.07994
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H19O6PS2
+INCHIKEY: JXSJBGJIGXNWCI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 55
+71.01244	949595	"Theoretical m/z 71.012758, Mass diff 0 (4.47 ppm), SMILES O=C(OC)C, Annotation [C3H6O2-3H]+, Rule of HR True"
+73.06446	406093	"Theoretical m/z 73.06534, Mass diff 0 (0 ppm), Formula C4H9O"
+74.98961	405308	"Theoretical m/z 74.990461, Mass diff 0 (0 ppm), Formula C2H3OS"
+78.99399	6488444	"Theoretical m/z 78.994891, Mass diff 0 (0 ppm), Formula CH4O2P"
+86.98956	1106725	"Theoretical m/z 86.990461, Mass diff 0 (0 ppm), Formula C3H3OS"
+92.05718	395036
+93.0096	28995046	"Theoretical m/z 93.00999, Mass diff 0 (4.2 ppm), SMILES O(C)POC, Annotation [C2H7O2P-H]+, Rule of HR True"
+94.01288	550290
+94.04093	6000624	"Theoretical m/z 94.041313, Mass diff 0 (-4.07 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+94.91693	1833645	"Theoretical m/z 94.917904, Mass diff 0 (0 ppm), Formula PS2"
+94.97112	1435225	"Theoretical m/z 94.9715, Mass diff 0 (4 ppm), SMILES O(C)P=S, Annotation [CH5OPS-H]+, Rule of HR True"
+95.0443	600275
+95.92477	780220
+99.00722	25639558	"Theoretical m/z 99.008219, Mass diff 0 (0 ppm), Formula C4H3O3"
+100.01504	2334958
+101.02289	1047346	"Theoretical m/z 101.023869, Mass diff 0 (0 ppm), Formula C4H5O3"
+102.98436	2181288	"Theoretical m/z 102.985375, Mass diff 0 (0 ppm), Formula C3H3O2S"
+103.05376	1915079	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.02543	467681	"Theoretical m/z 104.026215, Mass diff 0 (0 ppm), Formula C7H4O"
+110.96589	1406476	"Theoretical m/z 110.966411, Mass diff 0.001 (4.7 ppm), SMILES OP(OC)=S, Annotation [CH5O2PS-H]+, Rule of HR True"
+114.98428	583805	"Theoretical m/z 114.985375, Mass diff 0.001 (0 ppm), Formula C4H3O2S"
+117.01768	3906636	"Theoretical m/z 117.018784, Mass diff 0.001 (0 ppm), Formula C4H5O4"
+117.05673	3769636	"Theoretical m/z 117.055169, Mass diff -0.002 (0 ppm), Formula C5H9O3"
+117.06929	3204899	"Theoretical m/z 117.070425, Mass diff 0.001 (0 ppm), Formula C9H9"
+118.96133	423162	"Theoretical m/z 118.962532, Mass diff 0.001 (0 ppm), Formula C3H3OS2"
+124.98147	38912148	"Theoretical m/z 124.982067, Mass diff 0.001 (4.77 ppm), SMILES O(C)P(OC)=S, Annotation [C2H7O2PS-H]+, Rule of HR True"
+125.9848	1129226
+126.03055	1468480	"Theoretical m/z 126.03114, Mass diff 0.001 (4.68 ppm), SMILES O=CCCC(=O)OCC, Annotation [C6H10O3-4H]+, Rule of HR False"
+126.97726	3107877
+127.03834	23198548	"Theoretical m/z 127.038965, Mass diff 0.001 (4.92 ppm), SMILES O=CCCC(=O)OCC, Annotation [C6H10O3-3H]+, Rule of HR True"
+128.04173	1850689
+128.9763	612134	"Theoretical m/z 128.977527, Mass diff 0.001 (0 ppm), Formula CH6O3PS"
+131.01552	3167887	"Theoretical m/z 131.016122, Mass diff 0.001 (4.6 ppm), SMILES O=C(OCC)C(C)S, Annotation [C5H10O2S-3H]+, Rule of HR True"
+131.07236	808521
+132.02318	511895
+141.98419	482571
+142.99194	11322129	"Theoretical m/z 142.993177, Mass diff 0.001 (0 ppm), Formula C2H8O3PS"
+144.98772	452780
+145.04881	4884207	"Theoretical m/z 145.049533, Mass diff 0.001 (4.99 ppm), SMILES O=C(O)CCC(=O)OCC, Annotation [C6H10O4-H]+, Rule of HR True"
+146.99254	2046919	"Theoretical m/z 146.992963, Mass diff 0 (0 ppm), Formula C4H3O6"
+156.95335	2536368	"Theoretical m/z 156.954136, Mass diff 0.001 (5 ppm), SMILES O(C)P(OC)(=S)S, Annotation [C2H7O2PS2-H]+, Rule of HR True"
+157.96117	6822792
+158.96906	929890	"Theoretical m/z 158.969786, Mass diff 0.001 (4.56 ppm), SMILES O(C)P(OC)(=S)S, Annotation [C2H7O2PS2+H]+, Rule of HR True"
+159.01022	1551232
+159.95696	622680
+171.02333	419486	"Theoretical m/z 171.024477, Mass diff 0.001 (0 ppm), Formula C4H12O3PS"
+173.07994	13637609
+174.08334	1086811
+182.96886	598669
+198.9637	433466
+210.96362	1968790
+226.9584	716342
+237.95076	480123
+254.95329	1116105
+255.99764	1089340
+
+NAME: Metazachlor
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2036.8
+PRECURSORMZ: 277.09604
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H16ClN3O
+INCHIKEY: STEPQTYSZVCJPV-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 50
+77.03825	83458	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.994	43233
+79.0539	359422	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+79.92526	59386
+81.04439	2074732	"Theoretical m/z 81.044727, Mass diff 0 (4.16 ppm), SMILES N1=CC=CN1C, Annotation [C4H6N2-H]+, Rule of HR True"
+82.04771	103804
+85.02806	69847
+85.10082	50345	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.03585	56207	"Theoretical m/z 86.035437, Mass diff -0.001 (0 ppm), Formula C2H4N3O"
+87.98786	43473
+90.04605	131126	"Theoretical m/z 90.046401, Mass diff 0 (3.89 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-2H]+, Rule of HR False"
+94.04092	1950496	"Theoretical m/z 94.041313, Mass diff 0 (-4.18 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.01237	131456
+95.04425	254982
+96.02018	58032	"Theoretical m/z 96.021617, Mass diff 0.001 (0 ppm), Formula C2H7ClNO"
+103.05378	165563	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.04901	74534	"Theoretical m/z 104.050024, Mass diff 0 (0 ppm), Formula C7H6N"
+107.04867	71737	"Theoretical m/z 107.049141, Mass diff 0 (-4.4 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.04393	153397	"Theoretical m/z 108.044939, Mass diff 0 (0 ppm), Formula C6H6NO"
+116.04897	59357	"Theoretical m/z 116.050024, Mass diff 0.001 (0 ppm), Formula C8H6N"
+117.05675	1349584	"Theoretical m/z 117.057301, Mass diff 0.001 (4.7 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-4H]+, Rule of HR False"
+118.06456	142923	"Theoretical m/z 118.065126, Mass diff 0.001 (4.79 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-3H]+, Rule of HR True"
+121.06423	71163	"Theoretical m/z 121.06534, Mass diff 0.001 (0 ppm), Formula C8H9O"
+122.9434	50925
+131.07236	142501	"Theoretical m/z 131.072949, Mass diff 0.001 (4.49 ppm), SMILES C1=CC(=C(NC)C(=C1)C)C, Annotation [C9H13N-4H]+, Rule of HR False"
+132.08018	3016973	"Theoretical m/z 132.080774, Mass diff 0.001 (4.49 ppm), SMILES C1=CC(=C(NC)C(=C1)C)C, Annotation [C9H13N-3H]+, Rule of HR True"
+133.05154	118774	"Theoretical m/z 133.052764, Mass diff 0.001 (0 ppm), Formula C8H7NO"
+133.07538	92732	"Theoretical m/z 133.076573, Mass diff 0.001 (0 ppm), Formula C8H9N2"
+133.08795	3972914	"Theoretical m/z 133.088599, Mass diff 0.001 (4.87 ppm), SMILES C1=CC(=C(NC)C(=C1)C)C, Annotation [C9H13N-2H]+, Rule of HR False"
+134.09575	1543144
+136.03865	93433
+141.06911	66256	"Theoretical m/z 141.070425, Mass diff 0.001 (0 ppm), Formula C11H9"
+149.0226	177833
+160.07489	836970
+166.04096	85970	"Theoretical m/z 166.042352, Mass diff 0.001 (0 ppm), Formula C9H9ClN"
+167.08462	155907	"Theoretical m/z 167.086075, Mass diff 0.001 (0 ppm), Formula C13H11"
+176.04465	108953
+185.10634	73311
+192.07568	255251
+194.05499	120887
+196.03276	144461
+200.87195	57736
+207.03139	174261	"Theoretical m/z 207.031966, Mass diff 0.001 (2.78 ppm), SMILES O=C(N(C1=CC=CC=C1C)CN)CCl, Annotation [C10H13ClN2O-5H]+, Rule of HR True"
+209.05917	1136614
+210.06252	466364
+211.05621	671226
+212.05963	87013
+228.11202	176700	"Theoretical m/z 228.113132, Mass diff 0.001 (4.88 ppm), SMILES O=CN(C1=C(C=CC=C1C)C)CN2N=CC=C2, Annotation [C13H15N3O-H]+, Rule of HR True"
+229.11522	49165
+262.07315	59165	"Theoretical m/z 262.074176, Mass diff 0.001 (3.92 ppm), SMILES O=C(N(C1=CC=CC=C1C)CN2N=CC=C2)CCl, Annotation [C13H14ClN3O-H]+, Rule of HR True"
+
+NAME: Metolachlor
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1956.2
+PRECURSORMZ: 238.09814
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H22ClNO2
+INCHIKEY: WVQBLGZPHOPPFO-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 41
+77.03823	7776205	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.99399	3409464
+79.05389	3161294	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+89.03818	3284900	"Theoretical m/z 89.038575, Mass diff 0 (4.44 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+93.00963	12502377	"Theoretical m/z 93.010717, Mass diff 0.001 (0 ppm), Formula C3H6ClO"
+94.04093	5696374	"Theoretical m/z 94.041313, Mass diff 0 (-4.07 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+99.00722	11209307
+103.05376	6718184	"Theoretical m/z 103.054223, Mass diff 0 (4.5 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+104.06155	3642395	"Theoretical m/z 104.062048, Mass diff 0 (4.79 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-2H]+, Rule of HR False"
+105.06941	3488756	"Theoretical m/z 105.069873, Mass diff 0 (4.41 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-H]+, Rule of HR True"
+115.05371	11983255	"Theoretical m/z 115.054775, Mass diff 0.001 (0 ppm), Formula C9H7"
+116.06147	3350137	"Theoretical m/z 116.0626, Mass diff 0.001 (0 ppm), Formula C9H8"
+117.05673	19818100	"Theoretical m/z 117.057849, Mass diff 0.001 (0 ppm), Formula C8H7N"
+118.06454	11058257	"Theoretical m/z 118.065674, Mass diff 0.001 (0 ppm), Formula C8H8N"
+119.07243	5857706	"Theoretical m/z 119.073499, Mass diff 0.001 (0 ppm), Formula C8H9N"
+120.08022	5385364	"Theoretical m/z 120.081324, Mass diff 0.001 (0 ppm), Formula C8H10N"
+124.98149	17235604	"Theoretical m/z 124.979417, Mass diff -0.003 (0 ppm), Formula C6H2ClO"
+127.03838	10888417
+128.06143	3198012	"Theoretical m/z 128.0626, Mass diff 0.001 (0 ppm), Formula C10H8"
+130.06455	16430164	"Theoretical m/z 130.065674, Mass diff 0.001 (0 ppm), Formula C9H8N"
+131.07236	25081820	"Theoretical m/z 131.072949, Mass diff 0.001 (4.49 ppm), SMILES NC1=C(C=CC=C1CC)C, Annotation [C9H13N-4H]+, Rule of HR False"
+132.08014	15591055	"Theoretical m/z 132.080774, Mass diff 0.001 (4.8 ppm), SMILES NC1=C(C=CC=C1CC)C, Annotation [C9H13N-3H]+, Rule of HR True"
+133.08797	23631574	"Theoretical m/z 133.088599, Mass diff 0.001 (4.72 ppm), SMILES NC1=C(C=CC=C1CC)C, Annotation [C9H13N-2H]+, Rule of HR False"
+134.09576	21821276	"Theoretical m/z 134.096424, Mass diff 0.001 (4.95 ppm), SMILES NC1=C(C=CC=C1CC)C, Annotation [C9H13N-H]+, Rule of HR True"
+142.99196	4611110	"Theoretical m/z 142.989982, Mass diff -0.003 (0 ppm), Formula C6H4ClO2"
+144.08008	11162664	"Theoretical m/z 144.081324, Mass diff 0.001 (0 ppm), Formula C10H10N"
+145.08789	10172330	"Theoretical m/z 145.089149, Mass diff 0.001 (0 ppm), Formula C10H11N"
+146.09567	35772320	"Theoretical m/z 146.096974, Mass diff 0.001 (0 ppm), Formula C10H12N"
+147.09903	5613266
+158.09566	3414735	"Theoretical m/z 158.096974, Mass diff 0.001 (0 ppm), Formula C11H12N"
+160.11133	7963553	"Theoretical m/z 160.112069, Mass diff 0.001 (4.62 ppm), SMILES C1=CC(=C(NCC)C(=C1)CC)C, Annotation [C11H17N-3H]+, Rule of HR True"
+162.12685	314267296
+163.13014	38333436
+173.07993	5563966
+174.12685	3433206
+211.07481	14749272	"Theoretical m/z 211.075837, Mass diff 0.001 (4.87 ppm), SMILES O=C(NC1=C(C=CC=C1CC)C)CCl, Annotation [C11H14ClNO]+, Rule of HR False"
+213.07184	4670183	"Theoretical m/z 213.068232, Mass diff -0.004 (0 ppm), Formula C11H14ClO2"
+238.09814	132132456	"Theoretical m/z 238.099323, Mass diff 0.001 (4.97 ppm), SMILES O=C(N(C1=C(C=CC=C1CC)C)CC)CCl, Annotation [C13H18ClNO-H]+, Rule of HR True"
+239.10146	18330366
+240.09514	43154992
+241.09845	5849990
+
+NAME: Methyl parathion
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1890
+PRECURSORMZ: 262.99982
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H10NO5PS
+INCHIKEY: RLBIQVVOMOPOHC-UHFFFAOYSA-N
+INCHI: 
+SMILES: COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 79
+74.01473	230991
+75.02255	315655
+76.03039	331758	"Theoretical m/z 76.030753, Mass diff 0 (4.77 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.0382	319276	"Theoretical m/z 77.038578, Mass diff 0 (4.9 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04604	417106	"Theoretical m/z 78.046403, Mass diff 0 (4.65 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+78.99396	10612297	"Theoretical m/z 78.994891, Mass diff 0 (0 ppm), Formula CH4O2P"
+79.05383	211156
+79.9252	446140
+79.94762	348757
+80.04906	464179	"Theoretical m/z 80.050024, Mass diff 0 (0 ppm), Formula C5H6N"
+81.03311	189631	"Theoretical m/z 81.03404, Mass diff 0 (0 ppm), Formula C5H5O"
+81.0695	181383	"Theoretical m/z 81.069878, Mass diff 0 (-4.66 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+81.92317	241006
+81.98679	212042	"Theoretical m/z 81.988032, Mass diff 0.001 (0 ppm), Formula H5NPS"
+89.03814	184886	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.0538	230871	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.02522	448969	"Theoretical m/z 92.025664, Mass diff 0 (4.82 ppm), SMILES OC1=CC=CC=C1, Annotation [C6H6O-2H]+, Rule of HR False"
+93.00958	4055722	"Theoretical m/z 93.00999, Mass diff 0 (4.41 ppm), SMILES O(C)POC, Annotation [C2H7O2P-H]+, Rule of HR True"
+93.06943	164593	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+93.94087	177298
+93.9632	180518
+94.97102	792717
+94.99454	402300	"Theoretical m/z 94.995546, Mass diff 0 (0 ppm), Formula C5H3S"
+96.00234	1238172	"Theoretical m/z 96.003682, Mass diff 0.001 (0 ppm), Formula CH7NPS"
+97.02796	224921	"Theoretical m/z 97.028954, Mass diff 0 (0 ppm), Formula C5H5O2"
+106.04081	581952	"Theoretical m/z 106.041865, Mass diff 0.001 (0 ppm), Formula C7H6O"
+106.99446	653912	"Theoretical m/z 106.995546, Mass diff 0.001 (0 ppm), Formula C6H3S"
+107.04861	940684	"Theoretical m/z 107.049141, Mass diff -0.001 (-4.96 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.04383	605229
+109.00436	10640621
+110.00773	262928
+110.96584	456958
+111.04349	273021	"Theoretical m/z 111.044604, Mass diff 0.001 (0 ppm), Formula C6H7O2"
+121.01004	302545	"Theoretical m/z 121.011196, Mass diff 0.001 (0 ppm), Formula C7H5S"
+121.06419	313519	"Theoretical m/z 121.06534, Mass diff 0.001 (0 ppm), Formula C8H9O"
+122.94338	665434	"Theoretical m/z 122.945833, Mass diff 0.002 (0 ppm), Formula C5PS"
+123.04343	949427	"Theoretical m/z 123.044604, Mass diff 0.001 (0 ppm), Formula C7H7O2"
+124.02094	1268815	"Theoretical m/z 124.022095, Mass diff 0.001 (0 ppm), Formula C6H6NS"
+124.98142	15943677
+126.0305	542696	"Theoretical m/z 126.031694, Mass diff 0.001 (0 ppm), Formula C6H6O3"
+127.01478	13822841	"Theoretical m/z 127.01602, Mass diff 0.001 (0 ppm), Formula C2H8O4P"
+128.01813	299160
+128.06134	276997	"Theoretical m/z 128.062911, Mass diff 0.001 (0 ppm), Formula C6H11NP"
+135.03081	179905	"Theoretical m/z 135.029348, Mass diff -0.002 (0 ppm), Formula C4H7O5"
+136.03859	1776318	"Theoretical m/z 136.037173, Mass diff -0.002 (0 ppm), Formula C4H8O5"
+136.99226	1875658	"Theoretical m/z 136.990855, Mass diff -0.002 (0 ppm), Formula C3H5O4S"
+137.04639	307788	"Theoretical m/z 137.044998, Mass diff -0.002 (0 ppm), Formula C4H9O5"
+138.00006	694093	"Theoretical m/z 138.00136, Mass diff 0.001 (0 ppm), Formula C6H4NOS"
+138.99362	579970	"Theoretical m/z 138.994891, Mass diff 0.001 (0 ppm), Formula C6H4O2P"
+139.02045	284231	"Theoretical m/z 139.021761, Mass diff 0.001 (0 ppm), Formula C7H7OS"
+142.99187	2494520
+151.00775	245090	"Theoretical m/z 151.006505, Mass diff -0.002 (0 ppm), Formula C4H7O4S"
+153.04117	1352222
+153.96277	199383	"Theoretical m/z 153.959889, Mass diff -0.003 (0 ppm), Formula C5NO3S"
+154.01694	599216	"Theoretical m/z 154.017404, Mass diff 0 (0 ppm), Formula C3H8NO4S"
+154.97055	971376	"Theoretical m/z 154.972047, Mass diff 0.001 (0 ppm), Formula C6H4OPS"
+168.01041	418019	"Theoretical m/z 168.011924, Mass diff 0.001 (0 ppm), Formula C7H6NO2S"
+169.01825	200937	"Theoretical m/z 169.017069, Mass diff -0.002 (0 ppm), Formula C4H9O5S"
+171.97325	637931	"Theoretical m/z 171.970454, Mass diff -0.003 (0 ppm), Formula C5H2NO4S"
+185.98869	203823
+199.95548	217680
+200.00957	1349822
+200.9762	313763	"Theoretical m/z 200.976983, Mass diff 0.001 (3.9 ppm), SMILES OP(OC1=CC=CC=C1)(OC)=S, Annotation [C7H9O3PS-3H]+, Rule of HR True"
+201.98372	373685
+207.03124	216437	"Theoretical m/z 207.032719, Mass diff 0.001 (0 ppm), Formula C7H11O5S"
+215.99934	1138625
+217.00749	302137	"Theoretical m/z 217.008274, Mass diff 0.001 (3.61 ppm), SMILES O(C1=CC=CC=C1)P(OC)(OC)=S, Annotation [C8H11O3PS-H]+, Rule of HR True"
+217.97864	270690
+231.98158	532514
+233.02577	2283692
+234.02956	173590
+245.99713	5541160
+247.00496	836501
+247.99373	302399
+249.99196	246326
+261.99204	249212	"Theoretical m/z 261.993905, Mass diff 0.001 (0 ppm), Formula C8H9NO5PS"
+262.99982	14290651
+264.00342	1173219
+264.99548	781108
+
+NAME: Pendimethalin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2044.6
+PRECURSORMZ: 281.13574
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H19N3O4
+INCHIKEY: CHIFOSRWCNZCFN-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 86
+76.03043	841727	"Theoretical m/z 76.0313, Mass diff 0 (0 ppm), Formula C6H4"
+77.03824	8385225	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04609	3776124	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05389	4927148	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.04912	1489014	"Theoretical m/z 80.050024, Mass diff 0 (0 ppm), Formula C5H6N"
+81.04438	13552781	"Theoretical m/z 81.045273, Mass diff 0 (0 ppm), Formula C4H5N2"
+89.0382	3600019	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04605	3162845	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+94.04096	6714399	"Theoretical m/z 94.041313, Mass diff 0 (-3.76 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04875	1341541	"Theoretical m/z 95.049141, Mass diff 0 (-4.11 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+102.04597	1278049	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05379	5557358	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.04903	5423590	"Theoretical m/z 104.050024, Mass diff 0 (0 ppm), Formula C7H6N"
+105.06944	5863095	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.06467	4673628	"Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N"
+107.05991	2263036	"Theoretical m/z 107.060923, Mass diff 0 (0 ppm), Formula C6H7N2"
+108.04392	1045268	"Theoretical m/z 108.044939, Mass diff 0 (0 ppm), Formula C6H6NO"
+115.05373	3185096	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04897	4016377	"Theoretical m/z 116.050024, Mass diff 0.001 (0 ppm), Formula C8H6N"
+117.05676	13146897	"Theoretical m/z 117.057849, Mass diff 0.001 (0 ppm), Formula C8H7N"
+118.06457	12049122	"Theoretical m/z 118.065674, Mass diff 0.001 (0 ppm), Formula C8H8N"
+119.05984	10637376	"Theoretical m/z 119.060923, Mass diff 0.001 (0 ppm), Formula C7H7N2"
+120.04384	2487784	"Theoretical m/z 120.044939, Mass diff 0.001 (0 ppm), Formula C7H6NO"
+120.0802	4488359	"Theoretical m/z 120.081324, Mass diff 0.001 (0 ppm), Formula C8H10N"
+121.06427	2065418	"Theoretical m/z 121.06534, Mass diff 0.001 (0 ppm), Formula C8H9O"
+128.06146	1146492	"Theoretical m/z 128.0626, Mass diff 0.001 (0 ppm), Formula C10H8"
+129.04413	1490980	"Theoretical m/z 129.045273, Mass diff 0.001 (0 ppm), Formula C8H5N2"
+130.06456	6187926	"Theoretical m/z 130.065674, Mass diff 0.001 (0 ppm), Formula C9H8N"
+131.05983	6593012	"Theoretical m/z 131.060923, Mass diff 0.001 (0 ppm), Formula C8H7N2"
+132.08018	27616614	"Theoretical m/z 132.081324, Mass diff 0.001 (0 ppm), Formula C9H10N"
+133.08797	27363510	"Theoretical m/z 133.089149, Mass diff 0.001 (0 ppm), Formula C9H11N"
+134.09578	12807072	"Theoretical m/z 134.096974, Mass diff 0.001 (0 ppm), Formula C9H12N"
+135.05464	2498422	"Theoretical m/z 135.055838, Mass diff 0.001 (0 ppm), Formula C7H7N2O"
+142.06447	1667280	"Theoretical m/z 142.065674, Mass diff 0.001 (0 ppm), Formula C10H8N"
+143.07228	2794658	"Theoretical m/z 143.073499, Mass diff 0.001 (0 ppm), Formula C10H9N"
+144.08011	5955085	"Theoretical m/z 144.081324, Mass diff 0.001 (0 ppm), Formula C10H10N"
+145.07535	6023043	"Theoretical m/z 145.076573, Mass diff 0.001 (0 ppm), Formula C9H9N2"
+146.08316	6449711
+147.05458	6371508	"Theoretical m/z 147.055294, Mass diff 0.001 (4.86 ppm), SMILES O=[N+]C=1C=C(C(=CC=1(N))C)C, Annotation [C8H11N2O-4H]+, Rule of HR False"
+148.06232	2687785
+149.02258	1026894	"Theoretical m/z 149.023869, Mass diff 0.001 (0 ppm), Formula C8H5O3"
+156.07999	1194232	"Theoretical m/z 156.081324, Mass diff 0.001 (0 ppm), Formula C11H10N"
+157.07527	1746552	"Theoretical m/z 157.076573, Mass diff 0.001 (0 ppm), Formula C10H9N2"
+158.09567	3225938	"Theoretical m/z 158.096974, Mass diff 0.001 (0 ppm), Formula C11H12N"
+159.0909	4006521	"Theoretical m/z 159.092223, Mass diff 0.001 (0 ppm), Formula C10H11N2"
+160.0749	9296888	"Theoretical m/z 160.076239, Mass diff 0.001 (0 ppm), Formula C10H10NO"
+161.07013	10423381	"Theoretical m/z 161.071488, Mass diff 0.001 (0 ppm), Formula C9H9N2O"
+162.07793	21376598	"Theoretical m/z 162.076633, Mass diff -0.002 (0 ppm), Formula C6H12NO4"
+163.04936	4904278
+164.05713	2665805
+171.09078	1416862	"Theoretical m/z 171.092223, Mass diff 0.001 (0 ppm), Formula C11H11N2"
+172.09851	3107982	"Theoretical m/z 172.100048, Mass diff 0.001 (0 ppm), Formula C11H12N2"
+173.10646	3473196	"Theoretical m/z 173.107873, Mass diff 0.001 (0 ppm), Formula C11H13N2"
+174.09047	7633312	"Theoretical m/z 174.091889, Mass diff 0.001 (0 ppm), Formula C11H12NO"
+175.08565	1938075	"Theoretical m/z 175.087138, Mass diff 0.001 (0 ppm), Formula C10H11N2O"
+176.04465	1853751	"Theoretical m/z 176.045455, Mass diff 0.001 (4.57 ppm), SMILES O=[N+]C=1C=C(C(=C([N+]=O)C=1(N))C)C, Annotation [C8H11N3O2-5H]+, Rule of HR True"
+176.05704	1059368
+177.06488	1960598	"Theoretical m/z 177.066403, Mass diff 0.001 (0 ppm), Formula C9H9N2O2"
+178.06032	1178244	"Theoretical m/z 178.061105, Mass diff 0.001 (4.41 ppm), SMILES O=[N+]C=1C=C(C(=C([N+]=O)C=1(N))C)C, Annotation [C8H11N3O2-3H]+, Rule of HR True"
+179.06807	1612188	"Theoretical m/z 179.06893, Mass diff 0.001 (4.8 ppm), SMILES O=[N+]C=1C=C(C(=C([N+]=O)C=1(N))C)C, Annotation [C8H11N3O2-2H]+, Rule of HR False"
+180.07582	1371853
+187.08554	854522
+188.1172	977302	"Theoretical m/z 188.118772, Mass diff 0.001 (0 ppm), Formula C11H14N3"
+189.07616	2423019	"Theoretical m/z 189.078979, Mass diff 0.002 (0 ppm), Formula C11H11NO2"
+190.06014	1857547	"Theoretical m/z 190.062994, Mass diff 0.002 (0 ppm), Formula C11H10O3"
+191.06793	16507120	"Theoretical m/z 191.070819, Mass diff 0.002 (0 ppm), Formula C11H11O3"
+192.0757	9191118	"Theoretical m/z 192.077302, Mass diff 0.001 (0 ppm), Formula C9H10N3O2"
+193.07918	1631926
+194.05501	2362425
+202.09644	2545402	"Theoretical m/z 202.098037, Mass diff 0.001 (0 ppm), Formula C11H12N3O"
+203.06805	988449	"Theoretical m/z 203.070819, Mass diff 0.002 (0 ppm), Formula C12H11O3"
+208.07066	16852952	"Theoretical m/z 208.071661, Mass diff 0.001 (4.81 ppm), SMILES O=[N+]C=1C(NC)=C(C=C(C=1C)C)[N+](=O)[O-], Annotation [C9H12N3O3-2H]+, Rule of HR False"
+209.05919	11820053	"Theoretical m/z 209.056232, Mass diff -0.004 (0 ppm), Formula C9H9N2O4"
+210.06245	1323357
+211.05626	3254151
+218.0914	1578222	"Theoretical m/z 218.092406, Mass diff 0.001 (4.61 ppm), SMILES O=[N+]C=1C=C(C(=C([N+]=O)C=1(NCCC))C)C, Annotation [C11H17N3O2-5H]+, Rule of HR True"
+219.09938	956473	"Theoretical m/z 219.100231, Mass diff 0.001 (3.89 ppm), SMILES O=[N+]C=1C=C(C(=C([N+]=O)C=1(NCCC))C)C, Annotation [C11H17N3O2-4H]+, Rule of HR False"
+220.10707	4627898	"Theoretical m/z 220.108056, Mass diff 0.001 (4.48 ppm), SMILES O=[N+]C=1C=C(C(=C([N+]=O)C=1(NCCC))C)C, Annotation [C11H17N3O2-3H]+, Rule of HR True"
+228.11204	1177836	"Theoretical m/z 228.113687, Mass diff 0.001 (0 ppm), Formula C13H14N3O"
+234.08623	950909	"Theoretical m/z 234.087322, Mass diff 0.001 (4.67 ppm), SMILES O=[N+]C=1C(NCCC)=C(C=C(C=1C)C)[N+](=O)[O-], Annotation [C11H16N3O3-4H]+, Rule of HR False"
+236.10188	2805440	"Theoretical m/z 236.102972, Mass diff 0.001 (4.63 ppm), SMILES O=[N+]C=1C(NCCC)=C(C=C(C=1C)C)[N+](=O)[O-], Annotation [C11H16N3O3-2H]+, Rule of HR False"
+252.09671	72876288	"Theoretical m/z 252.097889, Mass diff 0.001 (4.68 ppm), SMILES O=[N+]([O-])C=1C=C(C(=C(C=1(NCCC))[N+](=O)[O-])C)C, Annotation [C11H15N3O4-H]+, Rule of HR True"
+253.10007	9300746
+254.10142	738944
+263.12518	1621080
+281.13574	2778753	"Theoretical m/z 281.136994, Mass diff 0.001 (4.46 ppm), SMILES O=[N+]([O-])C=1C=C(C(=C(C=1(NC(CC)CC))[N+](=O)[O-])C)C, Annotation [C13H19N3O4]+, Rule of HR False"
+
+NAME: Phosmet
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2460.2
+PRECURSORMZ: 316.99213
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H7NO4
+INCHIKEY: WQINSVOOIJDOLJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 15
+76.03039	938223	"Theoretical m/z 76.030753, Mass diff 0 (4.77 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03818	1629764
+78.91741	417336
+78.99396	406285
+79.05384	448837	"Theoretical m/z 79.054228, Mass diff 0 (4.9 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+93.00958	2273096
+104.02512	1400371
+105.03298	1295700	"Theoretical m/z 105.033489, Mass diff 0.001 (4.84 ppm), SMILES O=CC1=CC=CC=C1, Annotation [C7H6O-H]+, Rule of HR True"
+124.94133	446127
+124.98142	449841
+130.02811	1679535	"Theoretical m/z 130.028747, Mass diff 0.001 (4.9 ppm), SMILES O=C(NC)C1=CC=CC=C1, Annotation [C8H9NO-5H]+, Rule of HR True"
+133.02771	3772589
+160.03839	32462268
+161.0417	3305389
+192.01024	413541
+
+NAME: Terbufos
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1748.9
+PRECURSORMZ: 288.04202
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H21O2PS3
+INCHIKEY: XLNZEKHULJKQBA-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOP(=S)(OCC)SCSC(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 37
+78.96666	4765344
+79.94762	2117836
+80.95544	4358990	"Theoretical m/z 80.956397, Mass diff 0 (0 ppm), Formula H2OPS"
+93.00956	10686891	"Theoretical m/z 93.010541, Mass diff 0 (0 ppm), Formula C2H6O2P"
+94.91688	2681445	"Theoretical m/z 94.917904, Mass diff 0 (0 ppm), Formula PS2"
+96.95028	68486008	"Theoretical m/z 96.951312, Mass diff 0 (0 ppm), Formula H2O2PS"
+98.94604	3630837
+103.05706	6923557
+108.9866	12696377
+111.9195	3408562
+112.9273	3455122	"Theoretical m/z 112.928468, Mass diff 0.001 (0 ppm), Formula H2OPS2"
+113.93516	4909655
+114.96072	14302103
+121.04064	8319740
+124.98138	20664108
+126.97716	1323476
+128.9221	20953470	"Theoretical m/z 128.923383, Mass diff 0.001 (0 ppm), Formula H2O2PS2"
+129.92996	2541324
+130.9378	6774726	"Theoretical m/z 130.939033, Mass diff 0.001 (0 ppm), Formula H4O2PS2"
+141.96626	13020066
+142.93771	2560230	"Theoretical m/z 142.939033, Mass diff 0.001 (0 ppm), Formula CH4O2PS2"
+143.96205	1456564
+153.01244	16732426
+156.95322	4932592
+157.96104	3247980
+158.96884	4280730
+174.9095	22016342	"Theoretical m/z 174.911104, Mass diff 0.001 (0 ppm), Formula CH4O2PS3"
+176.90529	2880794
+184.98433	5459457
+185.99216	5506018
+186.94585	2200956
+186.99994	7364585
+202.94066	26631148
+204.93648	3519234
+230.97186	131917936
+231.976	6664243
+232.96759	17918554
+
+NAME: Terbutylazine
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1758.8
+PRECURSORMZ: 229.10765
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H16ClN5
+INCHIKEY: FZXISNSWEXTPMF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 45
+71.06	2574508
+79.00536	1694110	"Theoretical m/z 79.005751, Mass diff 0 (4.94 ppm), SMILES N=C(N)Cl, Annotation [CH3ClN2+H]+, Rule of HR True"
+83.05996	9996581	"Theoretical m/z 83.060373, Mass diff 0 (4.97 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-3H]+, Rule of HR True"
+86.97405	2458024	"Theoretical m/z 86.97445, Mass diff 0 (4.6 ppm), SMILES N=CN=CCl, Annotation [C2H3ClN2-3H]+, Rule of HR True"
+90.01009	1268912	"Theoretical m/z 90.011052, Mass diff 0 (0 ppm), Formula C3H5ClN"
+91.00533	5081380	"Theoretical m/z 91.005751, Mass diff 0 (4.62 ppm), SMILES N=CN=CCl, Annotation [C2H3ClN2+H]+, Rule of HR True"
+93.01916	4409833	"Theoretical m/z 93.020121, Mass diff 0 (0 ppm), Formula C3HN4"
+96.05514	11182075	"Theoretical m/z 96.05562, Mass diff 0 (4.99 ppm), SMILES N=CN=CNCC, Annotation [C4H9N3-3H]+, Rule of HR True"
+99.53018	7325372
+100.52873	2287886
+104.00047	17744846
+105.02094	1096196	"Theoretical m/z 105.021404, Mass diff 0 (4.42 ppm), SMILES N(=CCl)CNC, Annotation [C3H7ClN2-H]+, Rule of HR True"
+105.99753	5459552
+110.04558	6878760	"Theoretical m/z 110.04667, Mass diff 0.001 (0 ppm), Formula C3H4N5"
+119.03646	6373704	"Theoretical m/z 119.037052, Mass diff 0.001 (4.97 ppm), SMILES N(=CCl)CNCC, Annotation [C4H9ClN2-H]+, Rule of HR True"
+121.03348	2363708
+130.00345	1933466
+132.03163	15404442
+134.02866	4431906
+136.08624	7350887	"Theoretical m/z 136.087472, Mass diff 0.001 (0 ppm), Formula C7H10N3"
+137.06886	2657750
+138.07669	28113208
+139.08002	1546901
+145.01421	7832122
+146.022	2180159
+147.01122	2325250
+158.02191	12520288
+160.01894	3491026
+172.03749	22085118
+173.0453	46127464
+174.03453	15223663
+175.0423	14816009
+176.05003	2875172
+178.1077	3732423
+186.05302	2237421
+187.06079	2053570
+197.05772	1530968	"Theoretical m/z 197.059399, Mass diff 0.001 (0 ppm), Formula C8H10ClN4"
+212.06866	2628386	"Theoretical m/z 212.070298, Mass diff 0.001 (0 ppm), Formula C8H11ClN5"
+214.08423	106836840
+215.08742	10030403
+216.08122	33948564
+217.08455	3361684
+229.10765	13517656
+230.11087	1502857
+231.10472	4342840
+
+NAME: Trifluralin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1666.2
+PRECURSORMZ: 335.10678
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H16F3N3O4
+INCHIKEY: ZSDSQXJSNMTJDA-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 66
+75.00368	1780017	"Theoretical m/z 75.004631, Mass diff 0 (0 ppm), Formula C3HF2"
+105.04421	6215666	"Theoretical m/z 105.045273, Mass diff 0.001 (0 ppm), Formula C6H5N2"
+123.00341	2359458	"Theoretical m/z 123.004631, Mass diff 0.001 (0 ppm), Formula C7HF2"
+125.01909	4473420	"Theoretical m/z 125.020282, Mass diff 0.001 (0 ppm), Formula C7H3F2"
+126.01432	4692460	"Theoretical m/z 126.015531, Mass diff 0.001 (0 ppm), Formula C6H2F2N"
+127.02215	3222447	"Theoretical m/z 127.020675, Mass diff -0.002 (0 ppm), Formula C3H5F2O3"
+130.06448	2068956	"Theoretical m/z 130.065674, Mass diff 0.001 (0 ppm), Formula C9H8N"
+131.00964	3356674	"Theoretical m/z 131.01086, Mass diff 0.001 (0 ppm), Formula C6H2F3"
+132.01743	1741102	"Theoretical m/z 132.019787, Mass diff 0.002 (0 ppm), Formula C6H2N3O"
+133.02527	2678984	"Theoretical m/z 133.02651, Mass diff 0.001 (0 ppm), Formula C6H4F3"
+139.022	1886608	"Theoretical m/z 139.020675, Mass diff -0.002 (0 ppm), Formula C4H5F2O3"
+140.02988	4014939	"Theoretical m/z 140.031181, Mass diff 0.001 (0 ppm), Formula C7H4F2N"
+141.02513	3384482	"Theoretical m/z 141.02643, Mass diff 0.001 (0 ppm), Formula C6H3F2N2"
+143.00952	3469162	"Theoretical m/z 143.009282, Mass diff -0.001 (0 ppm), Formula C4H3N2O4"
+144.01735	1725840	"Theoretical m/z 144.019787, Mass diff 0.002 (0 ppm), Formula C7H2N3O"
+145.02516	9547131	"Theoretical m/z 145.024932, Mass diff -0.001 (0 ppm), Formula C4H5N2O4"
+146.02037	2666751	"Theoretical m/z 146.020181, Mass diff -0.001 (0 ppm), Formula C3H4N3O4"
+147.02826	1679734	"Theoretical m/z 147.026904, Mass diff -0.002 (0 ppm), Formula C3H6F3O3"
+148.03595	3371607	"Theoretical m/z 148.035831, Mass diff -0.001 (0 ppm), Formula C3H6N3O4"
+151.03455	2908135	"Theoretical m/z 151.035932, Mass diff 0.001 (0 ppm), Formula C9H5F2"
+152.02977	2116175	"Theoretical m/z 152.031181, Mass diff 0.001 (0 ppm), Formula C8H4F2N"
+153.02501	3169999	"Theoretical m/z 153.02643, Mass diff 0.001 (0 ppm), Formula C7H3F2N2"
+158.02034	3426164	"Theoretical m/z 158.020181, Mass diff -0.001 (0 ppm), Formula C4H4N3O4"
+159.02812	8259080	"Theoretical m/z 159.026904, Mass diff -0.002 (0 ppm), Formula C4H6F3O3"
+160.03592	10879528	"Theoretical m/z 160.035831, Mass diff -0.001 (0 ppm), Formula C4H6N3O4"
+161.01994	2172381	"Theoretical m/z 161.020282, Mass diff 0 (0 ppm), Formula C10H3F2"
+166.04541	2846394	"Theoretical m/z 166.046831, Mass diff 0.001 (0 ppm), Formula C9H6F2N"
+171.01547	3008391	"Theoretical m/z 171.017008, Mass diff 0.001 (0 ppm), Formula C7H2F3N2"
+172.03584	5619329	"Theoretical m/z 172.035831, Mass diff -0.001 (0 ppm), Formula C5H6N3O4"
+173.03111	4059855	"Theoretical m/z 173.032658, Mass diff 0.001 (0 ppm), Formula C7H4F3N2"
+174.01517	4747622
+176.03076	3080337
+185.04366	2044199	"Theoretical m/z 185.042554, Mass diff -0.002 (0 ppm), Formula C6H8F3O3"
+186.03886	6180188	"Theoretical m/z 186.037803, Mass diff -0.002 (0 ppm), Formula C5H7F3NO3"
+187.04658	5412949	"Theoretical m/z 187.048308, Mass diff 0.001 (0 ppm), Formula C8H6F3N2"
+188.01807	7202588	"Theoretical m/z 188.017067, Mass diff -0.002 (0 ppm), Formula C4H5F3NO4"
+189.02586	4436715	"Theoretical m/z 189.02643, Mass diff 0 (0 ppm), Formula C10H3F2N2"
+190.03371	2237859	"Theoretical m/z 190.032717, Mass diff -0.002 (0 ppm), Formula C4H7F3NO4"
+198.05138	4117907	"Theoretical m/z 198.051481, Mass diff 0 (0 ppm), Formula C7H8N3O4"
+199.04669	2982827	"Theoretical m/z 199.048308, Mass diff 0.001 (0 ppm), Formula C9H6F3N2"
+200.05443	2274018	"Theoretical m/z 200.053453, Mass diff -0.002 (0 ppm), Formula C6H9F3NO3"
+201.02588	3991150	"Theoretical m/z 201.02643, Mass diff 0 (0 ppm), Formula C11H3F2N2"
+202.03369	9292457	"Theoretical m/z 202.032717, Mass diff -0.002 (0 ppm), Formula C5H7F3NO4"
+206.02864	21375318
+207.03156	1787997
+212.06694	3459441	"Theoretical m/z 212.067131, Mass diff 0 (0 ppm), Formula C8H10N3O4"
+213.06227	3684944	"Theoretical m/z 213.063958, Mass diff 0.001 (0 ppm), Formula C10H8F3N2"
+214.07011	4170270	"Theoretical m/z 214.074228, Mass diff 0.004 (0 ppm), Formula C12H10N2O2"
+217.00812	2440330
+218.02858	2231219	"Theoretical m/z 218.026489, Mass diff -0.003 (0 ppm), Formula C8H6F2NO4"
+219.02385	1693582
+231.02382	1947284	"Theoretical m/z 231.025761, Mass diff 0.001 (0 ppm), Formula C13H5F2O2"
+232.03162	6977626	"Theoretical m/z 232.032243, Mass diff 0 (0 ppm), Formula C11H4F2N3O"
+234.01092	2792672
+248.02641	25813254
+249.02985	2369235
+260.06287	5448901	"Theoretical m/z 260.064142, Mass diff 0.001 (4.89 ppm), SMILES O=[N+]C1=CC(=CC([N+]=O)=C1(NCCC))C(F)(F)F, Annotation [C10H12F3N3O2-3H]+, Rule of HR True"
+264.02127	164187104
+265.02472	14900002
+274.06201	4129358
+290.07318	19677018
+291.07675	2160552
+306.06787	107158808
+307.07153	12362124
+316.10846	6390679
+318.10409	7754021
+
+
+NAME: 2,2',3,4,4',5',6-Heptabromodiphenyl ether
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3206.1
+PRECURSORMZ: 722.44855
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Br7O
+INCHIKEY: ILPSCQCLBHQUEM-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 186
+70.07772	97814
+73.04681	116850
+74.01511	420828	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+79.05424	181748
+79.92562	133326
+80.91579	82129
+81.06991	192909
+83.08553	141527
+91.05427	88543
+93.06995	111120
+94.04136	416238
+95.08556	398677
+97.10121	94033
+106.94914	79645	"Theoretical m/z 106.949637, Mass diff 0 (0 ppm), Formula C2H4Br"
+107.08553	124166
+109.10121	200782
+110.10902	60809
+117.92353	81325
+122.10895	71703
+123.1168	125852
+127.92551	61422
+129.92368	54293
+131.08554	52443
+133.01353	71766
+134.01504	140922
+135.02287	466521	"Theoretical m/z 135.023475, Mass diff 0 (0 ppm), Formula C11H3"
+135.06241	484390
+135.11681	123155
+136.03064	67494
+137.13246	72865
+138.91777	54909	"Theoretical m/z 138.918337, Mass diff 0 (0 ppm), Formula C5Br"
+139.92558	450553
+140.93338	753189	"Theoretical m/z 140.933987, Mass diff 0 (0 ppm), Formula C5H2Br"
+141.92352	458999
+142.93137	694756
+146.42938	117810
+147.42844	220433
+148.42734	103981
+149.13245	53978
+151.92557	768733
+152.93333	481081	"Theoretical m/z 152.933987, Mass diff 0 (0 ppm), Formula C6H2Br"
+153.92346	759241
+154.93121	447086
+163.14807	140901
+177.16362	65573
+186.88763	192806
+187.38286	102904
+187.88654	198484
+188.88574	58292
+191.17931	387827
+192.18256	67413
+194.84384	106054	"Theoretical m/z 194.844499, Mass diff 0 (0 ppm), Formula C3HBr2"
+196.84192	239398
+198.87511	86566
+199.8859	81764
+200.88492	242698
+201.88406	237955
+202.87112	70413
+212.9334	112619	"Theoretical m/z 212.933987, Mass diff 0 (0 ppm), Formula C11H2Br"
+213.94139	154689
+214.93123	251447
+215.9393	131389
+216.94693	96146
+218.84386	628373	"Theoretical m/z 218.844499, Mass diff 0 (0 ppm), Formula C5HBr2"
+219.21075	143519
+219.83386	107471
+220.84186	1180261
+221.84976	176861
+222.83977	603105	"Theoretical m/z 222.839414, Mass diff -0.001 (0 ppm), Formula C4HBr2O"
+223.8475	66007
+225.34784	130038
+226.34676	452358
+227.34573	649654
+227.84738	80613
+228.34474	463156
+229.34352	91356
+230.84392	226748	"Theoretical m/z 230.843942, Mass diff 0 (0.1 ppm), SMILES C=1C=C(C=C(C=1)Br)Br, Annotation [C6H4Br2-3H]+, Rule of HR True"
+231.85165	356952
+232.84189	445989
+233.84985	666500
+234.83978	233373	"Theoretical m/z 234.839414, Mass diff -0.001 (0 ppm), Formula C5HBr2O"
+235.84786	340794
+239.84938	59582
+240.84813	219663
+241.847	312711
+242.84613	187070
+247.8468	93674
+249.84453	207846
+251.84241	99187
+278.8045	255831
+279.80344	1184491
+280.30508	129589
+280.80243	2298515
+281.05112	68726
+281.30402	280751
+281.80136	2242036
+282.30307	309057
+282.80032	1131433
+283.30206	137982
+283.79938	193191
+292.85962	632442	"Theoretical m/z 292.860149, Mass diff 0 (0 ppm), Formula C11H3Br2"
+293.86298	62728
+294.85736	1246264
+295.85986	127518
+296.85544	602562	"Theoretical m/z 296.855064, Mass diff -0.001 (0 ppm), Formula C10H3Br2O"
+297.76215	56935
+297.85892	55342
+298.76974	183557	"Theoretical m/z 298.770661, Mass diff 0 (0 ppm), Formula C5H2Br3"
+299.06158	96576
+299.76034	190050
+300.768	543008
+301.75815	154299
+302.76602	554040	"Theoretical m/z 302.765576, Mass diff -0.001 (0 ppm), Formula C4H2Br3O"
+304.76364	177314
+309.76193	131906
+311.76013	398528
+313.75815	406842
+315.75616	118623
+321.86166	65378
+322.85196	120264
+323.86072	123406
+327.75513	197680
+329.75284	194351
+331.75076	62666
+340.77368	65778
+371.77737	64687
+372.76846	194956
+373.77566	229203
+374.78332	316834
+375.7738	243670
+376.68036	137927	"Theoretical m/z 376.681173, Mass diff 0 (0 ppm), Formula C5HBr4"
+376.78134	200844
+377.77222	85855
+378.67859	483836
+380.67654	768383	"Theoretical m/z 380.676088, Mass diff -0.001 (0 ppm), Formula C4HBr4O"
+382.67444	475585
+384.6731	124007
+399.77286	312988
+401.77072	960695
+402.77405	138740
+403.76883	1086144
+404.77231	141772
+405.76651	436582
+408.6713	74051
+450.69574	161552	"Theoretical m/z 450.696823, Mass diff 0.001 (0 ppm), Formula C11H3Br4"
+452.69418	615673
+453.69635	65848
+454.69214	964950	"Theoretical m/z 454.691738, Mass diff -0.001 (0 ppm), Formula C10H3Br4O"
+455.69608	120113
+456.69009	615646
+457.69345	73363
+458.6879	170862
+479.69876	211183
+480.68845	174936
+481.69681	768616
+482.68512	284477
+483.69464	1045053
+484.68134	245527
+485.69275	709496
+486.69647	69254
+487.69134	149664
+557.6106	539208
+558.61359	61518
+559.60846	2704436
+560.61188	330614
+561.60644	5115266
+562.60986	668100
+563.60431	4929560
+564.60785	647484
+565.6023	2279009
+566.60571	325662
+567.59992	438809
+568.60358	53864
+641.53796	132517
+643.53394	175512
+645.53296	127262
+717.44922	223563
+719.44641	679269
+720.44904	87077
+721.44446	1129900
+722.44855	136468
+723.4422	1052584
+724.44501	150739
+725.44025	608927
+726.44202	63366
+727.43866	150476
+
+
+NAME: 2-Chlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1463
+PRECURSORMZ: 188.0363
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H9Cl
+INCHIKEY: LAXBNTIAOJWAOP-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)C2=CC=CC=C2Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 34
+74.01419	533417
+75.02203	943321
+76.02983	2505350
+76.5315	346466
+77.03763	401633
+79.92464	297604
+81.92258	303472
+86.01405	423348	"Theoretical m/z 86.01565, Mass diff 0.001 (0 ppm), Formula C7H2"
+87.0219	741412	"Theoretical m/z 87.023475, Mass diff 0.001 (0 ppm), Formula C7H3"
+91.05313	282116	"Theoretical m/z 91.054775, Mass diff 0.001 (0 ppm), Formula C7H7"
+94.04018	3602299
+98.01392	570231
+99.02173	528684	"Theoretical m/z 99.023475, Mass diff 0.001 (0 ppm), Formula C8H3"
+102.04517	334781	"Theoretical m/z 102.04695, Mass diff 0.001 (0 ppm), Formula C8H6"
+113.03716	330504	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+114.04501	269649
+125.03702	397016	"Theoretical m/z 125.039125, Mass diff 0.002 (0 ppm), Formula C10H5"
+126.04483	1534786
+127.05261	538298	"Theoretical m/z 127.054775, Mass diff 0.002 (0 ppm), Formula C10H7"
+149.02144	331854
+150.04451	2104637
+151.05228	3215919	"Theoretical m/z 151.054775, Mass diff 0.002 (0 ppm), Formula C12H7"
+152.06006	15521917
+153.06779	6803167
+154.07115	753818
+155.05835	304006
+169.06259	735672
+179.05808	862536
+187.02858	289154	"Theoretical m/z 187.031453, Mass diff 0.002 (0 ppm), Formula C12H8Cl"
+188.03628	26481920
+189.03957	3423899
+190.0332	8676665
+191.03659	1108235
+281.04761	453836
+
+NAME: 2,3-Dichlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1668.2
+PRECURSORMZ: 221.9986
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H8Cl2
+INCHIKEY: XOMKZKJEJBZBJJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 43
+71.08518	268962
+74.01475	590407	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02258	1681216	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03039	1078876	"Theoretical m/z 76.030753, Mass diff 0 (4.77 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03818	246443
+79.92522	393152
+80.00307	336619
+81.92318	472293
+84.98355	466105	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.10076	243229
+86.01467	616139	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02253	623974	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.52952	565085
+93.01086	2930400
+93.51254	337239
+94.00937	940022
+96.98356	243908	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01463	1002304
+99.02244	1019980	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+102.04589	264631	"Theoretical m/z 102.04695, Mass diff 0.001 (0 ppm), Formula C8H6"
+111.02235	590826	"Theoretical m/z 111.023475, Mass diff 0.001 (0 ppm), Formula C9H3"
+113.03796	346184	"Theoretical m/z 113.039125, Mass diff 0.001 (0 ppm), Formula C9H5"
+122.0145	254173
+123.02226	320284	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+125.03793	442830	"Theoretical m/z 125.039125, Mass diff 0.001 (0 ppm), Formula C10H5"
+126.04575	1181286
+149.02257	556672
+150.04558	4093446
+151.05334	3083610
+152.06114	17103588
+153.0645	1867037
+169.06381	645588
+179.05934	791575
+186.02202	2239139
+187.02982	1409602
+188.01904	840718
+189.02684	410334
+207.03124	252990
+221.99858	24157000
+223.00188	2961819
+223.99553	15726746
+224.99886	1559392
+225.99255	2563470
+
+NAME: 2,2',5-Trichlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1753.3
+PRECURSORMZ: 255.95943
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H7Cl3
+INCHIKEY: DCMURXAZTZQAFB-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 58
+74.01473	698100
+75.02258	1941166	"Theoretical m/z 75.022928, Mass diff 0 (4.63 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-3H]+, Rule of HR True"
+75.52422	192835
+79.92522	359834
+80.00307	279090
+81.92317	399081
+85.00689	447730	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01466	545204	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02254	452181	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+89.52946	220129
+92.00301	737016
+93.01086	3174334
+93.51252	391095
+94.00938	897673
+96.98351	471628	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01463	1174935
+99.02243	1175632	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+106.50992	414186
+108.98346	260083	"Theoretical m/z 108.983957, Mass diff 0 (4.56 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99125	1987762
+110.49288	372671
+110.98973	1500532
+111.02236	377739	"Theoretical m/z 111.023475, Mass diff 0.001 (0 ppm), Formula C9H3"
+111.49136	237804
+111.98829	208536
+122.01444	458058
+123.02227	760680	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+124.03013	345115
+125.03793	528217	"Theoretical m/z 125.039125, Mass diff 0.001 (0 ppm), Formula C10H5"
+127.97947	415672
+128.97792	368087
+136.00671	185564
+149.03777	882586	"Theoretical m/z 149.039125, Mass diff 0.001 (0 ppm), Formula C12H5"
+150.04553	5257708
+151.05328	2929650	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.05661	294128
+160.00652	342816
+169.06383	433735
+179.0593	542528
+184.00639	307333
+185.01408	353085
+186.022	17766624
+187.02533	2282768
+188.01901	5770607
+189.02237	683607
+219.98288	613893
+220.99075	8372300
+221.99403	1479334
+222.98776	5499068
+223.99107	755122
+224.98479	904449
+255.95943	13463077
+256.96277	1702580
+257.95645	12969940
+258.95987	1639102
+259.95346	4283280
+260.95688	517672
+261.95062	448898
+
+NAME: 2,4',5-Trichlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1846.2
+PRECURSORMZ: 255.9595
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H7Cl3
+INCHIKEY: VAHKBZSAUKPEOV-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 50
+74.01473	800654
+75.02258	1978542	"Theoretical m/z 75.022928, Mass diff 0 (4.63 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+79.92521	332985
+80.00304	261413
+81.92317	358491
+85.00687	349108	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01469	555181	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02253	477938	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.00301	865518
+93.01085	2979146
+93.51255	333073
+94.00935	898327
+96.9835	483511	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01463	1144045
+99.02244	1102183	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+106.5099	439622
+108.98335	257970
+109.99123	1988575
+110.4929	367927
+110.98973	1561575
+122.01446	377925
+123.02228	703266	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+124.03014	373989
+125.03794	507334	"Theoretical m/z 125.039125, Mass diff 0.001 (0 ppm), Formula C10H5"
+127.97944	483873
+128.97795	511451
+136.00678	250303
+150.04555	5197884
+151.05333	2833962	"Theoretical m/z 151.054775, Mass diff 0.001 (0 ppm), Formula C12H7"
+152.05667	265904
+160.00655	428044
+169.06383	405328
+179.0594	535093
+184.00639	364102
+185.01428	486235
+186.022	14344904
+187.02531	1947410
+188.019	4637896
+189.02234	578939
+219.98291	929371
+220.99095	630096	"Theoretical m/z 220.991932, Mass diff 0.001 (4.44 ppm), SMILES C=1C=CC(=C(C=1)C2=CC=C(C=C2)Cl)Cl, Annotation [C12H8Cl2-H]+, Rule of HR True"
+221.98	631869
+222.9881	386702
+255.95947	24666394
+256.9628	3082541
+257.95642	24245546
+258.95981	3165135
+259.95346	7930494
+260.95685	878036
+261.95056	901455
+
+NAME: 2,2',3,5'-Tetrachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1962.9
+PRECURSORMZ: 289.92108
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H6Cl4
+INCHIKEY: ALDJIKXAHSDLLB-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 81
+73.51101	142303
+74.01492	724524	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02277	818142	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+79.92543	209273
+83.97596	254436
+85.0071	520754	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01489	383943	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02274	339438	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.00324	2230809
+92.50491	374855
+93.0018	790784
+96.98377	550081	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01488	1229319
+99.0227	992753	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+106.51019	278562
+107.97586	168416
+108.98372	719188	"Theoretical m/z 108.983957, Mass diff 0 (2.17 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99153	3239478
+110.49319	399941
+110.99003	1828994
+111.02264	227780	"Theoretical m/z 111.023475, Mass diff 0 (0 ppm), Formula C9H3"
+111.49168	254298
+111.98856	315403
+120.96438	189954
+121.0645	202745
+122.01477	634872
+123.02258	932459	"Theoretical m/z 123.023475, Mass diff 0 (0 ppm), Formula C10H3"
+124.03044	320062
+126.97197	1014482
+127.4759	282399
+127.97049	972350
+128.47436	331124
+128.96898	363425
+132.98355	198505	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.99139	172276
+135.0226	259461	"Theoretical m/z 135.023475, Mass diff 0 (0 ppm), Formula C11H3"
+144.96024	481200	"Theoretical m/z 144.960636, Mass diff 0 (2.73 ppm), SMILES C=1C=C(C=CC=1Cl)Cl, Annotation [C6H4Cl2-H]+, Rule of HR True"
+145.95876	597010
+146.01471	200768
+146.95718	364240
+147.02243	623489	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+148.03024	334496
+149.03812	727570	"Theoretical m/z 149.039125, Mass diff 0 (0 ppm), Formula C12H5"
+150.04593	3986756
+151.04927	446630
+158.99902	215793	"Theoretical m/z 159.000153, Mass diff 0.001 (0 ppm), Formula C10H4Cl"
+160.00693	156295
+169.96794	193315
+182.99895	167833	"Theoretical m/z 183.000153, Mass diff 0.001 (0 ppm), Formula C12H4Cl"
+184.00685	1861817
+185.0146	1289750	"Theoretical m/z 185.015803, Mass diff 0.001 (0 ppm), Formula C12H6Cl"
+186.00389	740871
+187.01161	383634
+193.96785	254275
+195.96487	148442
+203.02521	299804
+207.03175	238738
+213.02081	359956
+218.97575	171398	"Theoretical m/z 218.976281, Mass diff 0.001 (2.43 ppm), SMILES C1=CC=C(C=C1)C=2C=C(C=CC=2Cl)Cl, Annotation [C12H8Cl2-3H]+, Rule of HR True"
+219.98349	14036612
+220.98682	1925087
+221.98047	8963622
+222.98381	1199525
+223.97754	1563322
+224.98106	153684
+253.94441	351172
+254.95229	7903185	"Theoretical m/z 254.952961, Mass diff 0.001 (2.63 ppm), SMILES C=1C=CC(=C(C=1)C=2C=C(C=CC=2Cl)Cl)Cl, Annotation [C12H7Cl3-H]+, Rule of HR True"
+255.95554	1315954
+256.94931	7101440
+257.95252	1068678
+258.94644	2237486
+259.9494	226019
+260.94354	183502
+289.92108	10979791	"Theoretical m/z 289.921815, Mass diff 0.001 (2.53 ppm), SMILES C2=CC(C=1C=C(C=CC=1Cl)Cl)=C(C(=C2)Cl)Cl, Annotation [C12H6Cl4]+, Rule of HR False"
+290.92441	1450023
+291.91809	13897702
+292.92145	1823634
+293.9151	6759612
+294.91834	906188
+295.91202	1424174
+296.91538	172025
+
+NAME: 2,3',4,4'-Tetrachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2053
+PRECURSORMZ: 289.92032
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H6Cl4
+INCHIKEY: RKLLTEAEZIJBAU-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 63
+74.01472	759782	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02257	815961	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+79.92521	501562
+81.92316	550676
+83.97572	272618
+84.98354	480060	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+86.01467	488527	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.02251	331956	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+92.00299	2372045
+92.50468	352514
+93.00156	798398
+96.98348	504122	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01462	1119916
+99.02242	1043145	"Theoretical m/z 99.023475, Mass diff 0.001 (0 ppm), Formula C8H3"
+108.98341	718757
+109.99123	3077997
+110.49287	384053
+110.98972	1869323
+111.98826	300586
+122.01444	531434
+123.02226	799142	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+124.03014	276124
+126.97161	1067457
+127.47557	371123
+127.97012	1056140
+128.47406	342455
+128.96864	347338
+135.02228	288019	"Theoretical m/z 135.023475, Mass diff 0.001 (0 ppm), Formula C11H3"
+144.95984	505584
+145.95836	567832
+146.95686	415182
+147.02208	653545	"Theoretical m/z 147.023475, Mass diff 0.001 (0 ppm), Formula C12H3"
+148.02983	345861
+149.03774	1235591	"Theoretical m/z 149.039125, Mass diff 0.001 (0 ppm), Formula C12H5"
+150.04553	3486860
+151.04884	390748
+169.9675	466282
+171.96455	294304
+184.00636	2128566
+185.01421	1194212	"Theoretical m/z 185.015803, Mass diff 0.001 (0 ppm), Formula C12H6Cl"
+186.00339	819294
+187.01115	359814
+193.96738	260768
+203.02473	269819
+207.0312	260920
+213.02023	328273
+219.98288	11055293
+220.98624	1584601
+221.97989	7185202
+222.98323	912111
+223.97691	1194712
+253.94373	568979
+254.9521	348957
+255.94086	582666
+256.94925	351922
+289.92032	19992814
+290.92371	2571285
+291.9173	25831694
+292.92059	3338852
+293.91428	12615353
+294.91745	1666443
+295.91119	2720361
+296.91449	362984
+
+NAME: 2,2',3,4',5,5',6-Heptachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2394.2
+PRECURSORMZ: 391.80286
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Cl7
+INCHIKEY: UDMZPLROONOSEF-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 128
+72.08852	201930
+73.02805	284941
+79.92522	438784
+83.97569	286591
+85.02804	322933
+85.10076	554299
+86.01465	238814	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+89.98734	320235
+90.49128	431437
+90.99515	301618
+91.48975	134384
+94.96787	248983	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.97566	139345
+97.00676	191623	"Theoretical m/z 97.007825, Mass diff 0.001 (0 ppm), Formula C8H"
+98.01463	413426
+99.04359	227869
+100.05137	255527
+106.94436	240643	"Theoretical m/z 106.94553, Mass diff 0.001 (0 ppm), Formula C3HCl2"
+107.47171	227653
+107.97553	735283
+108.47022	453778
+108.94153	405658
+109.00674	398084	"Theoretical m/z 109.007825, Mass diff 0.001 (0 ppm), Formula C9H"
+110.01454	398296
+112.0468	281458
+113.0227	842636
+117.93652	136773
+119.97539	334281
+120.96419	262408
+122.01441	430775
+125.45991	299064
+125.96382	1815793
+126.45847	343328
+126.96233	1794529
+127.46404	139906
+127.96084	532651
+130.94418	205038	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.97543	708965
+132.94127	342007
+133.01283	211407
+133.97247	221444
+142.9442	838819
+143.44818	194114
+143.94269	1105827
+143.97528	306172
+144.44701	199003
+144.94116	714365
+144.98323	174661	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+146.01428	272123
+148.0677	169500
+155.97513	226418
+157.12132	269727
+160.93242	2341094
+161.43411	328237
+161.93092	3752989
+162.43269	356110
+162.92943	2379199
+163.43108	162382
+163.92793	835256
+166.94411	154478	"Theoretical m/z 166.94553, Mass diff 0.001 (0 ppm), Formula C8HCl2"
+178.4169	208524
+178.91133	306372
+179.41559	281967
+179.9098	265698
+179.97514	247666
+180.41417	264679
+180.98315	375808	"Theoretical m/z 180.984503, Mass diff 0.001 (0 ppm), Formula C12H2Cl"
+181.41223	152005
+181.99069	190295
+183.98775	272950
+191.95164	200456
+195.90106	459831
+196.89958	890917
+197.40108	145045
+197.8981	916404
+198.8965	361394
+199.89504	144184
+207.03114	369551
+214.92053	153457	"Theoretical m/z 214.922208, Mass diff 0.001 (0 ppm), Formula C9H2Cl3"
+215.95163	695389
+216.95967	743588	"Theoretical m/z 216.96118, Mass diff 0.001 (0 ppm), Formula C12H3Cl2"
+217.9487	542218
+218.95664	418495
+219.94554	128950
+239.88622	145745
+250.92084	130193	"Theoretical m/z 250.922208, Mass diff 0.001 (0 ppm), Formula C12H2Cl3"
+251.92813	4029834
+252.93138	746400
+253.92514	3919401
+254.92844	513169
+255.92226	1258472
+256.92569	153931
+261.88882	150043
+263.88599	175484
+273.84711	130049
+285.8891	606047
+286.89694	878212	"Theoretical m/z 286.898886, Mass diff 0.001 (0 ppm), Formula C12H3Cl4"
+287.88602	755911
+288.8941	632162
+290.89102	486742
+321.86533	7858769
+322.86871	988244
+323.8623	12660539
+324.86554	1657437
+325.85934	7296839
+326.86261	995616
+327.85635	2465626
+328.85919	319403
+329.85333	388814
+356.83404	2286722
+357.83737	447865
+358.83102	5390310
+359.83414	657417
+360.82806	4199480
+361.83139	569049
+362.82504	1804370
+364.82205	417081
+391.80286	5619000
+392.80615	752533
+393.79974	12035656
+394.80307	1579663
+395.79675	11249869
+396.80011	1465218
+397.79373	6257266
+398.79715	768263
+399.7908	1981634
+400.79437	286563
+401.78775	270552
+
+NAME: 2,2',3,4,4',5',6-Heptachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2386
+PRECURSORMZ: 391.80396
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Cl7
+INCHIKEY: KQBFUDNJKCZEDQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 130
+73.0071	322859	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+79.92542	269887
+81.92338	222556
+83.97598	291019
+85.00708	309259	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01491	210657	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+89.98759	309280
+90.49154	467081
+90.98609	310809
+91.49001	166132
+95.97588	238066
+97.007	206689	"Theoretical m/z 97.007825, Mass diff 0 (0 ppm), Formula C8H"
+98.01488	409554
+106.94881	215407
+107.47194	229112
+107.97583	693109
+108.47972	444869
+108.94675	407505
+109.00702	687480	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+109.47822	152576
+110.0148	418597
+117.93694	132204
+119.97583	207410
+119.99907	358333	"Theoretical m/z 120, Mass diff 0 (0 ppm), Formula C10"
+121.00685	210373	"Theoretical m/z 121.007825, Mass diff 0 (0 ppm), Formula C10H"
+121.06448	190714
+122.01478	383444
+125.46022	311765
+125.96413	1644150
+126.45875	511513
+126.96263	1563124
+127.46429	300072
+127.96116	494481
+130.94469	187478	"Theoretical m/z 130.94553, Mass diff 0 (0 ppm), Formula C5HCl2"
+131.97577	681470
+132.98355	377368	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.97276	243641
+141.93675	129882
+142.9446	857434	"Theoretical m/z 142.944986, Mass diff 0 (2.7 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2-3H]+, Rule of HR True"
+143.44617	151943
+143.9431	1166942
+143.97571	250298
+144.44754	197081
+144.94161	670219
+144.98344	206781	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+145.9402	127152
+146.01463	732448
+147.02251	282721	"Theoretical m/z 147.023475, Mass diff 0 (0 ppm), Formula C12H3"
+155.97563	229639
+156.98332	152240	"Theoretical m/z 156.984503, Mass diff 0.001 (0 ppm), Formula C10H2Cl"
+160.93283	2120012
+161.43451	302834
+161.93132	3607542
+162.433	504291
+162.92986	2364636
+163.43146	293961
+163.92834	698342
+166.94434	157021	"Theoretical m/z 166.94553, Mass diff 0.001 (0 ppm), Formula C8HCl2"
+167.95226	159201
+178.41724	276576
+178.91167	204437
+179.41571	525479
+179.91028	272021
+179.97551	511349
+180.41423	442897
+180.90883	140345
+180.98338	336475	"Theoretical m/z 180.984503, Mass diff 0.001 (0 ppm), Formula C12H2Cl"
+181.4128	182238
+181.99114	883569
+182.99475	206876
+183.9882	245579
+191.95219	229482
+195.90166	330376
+196.90008	865800
+197.89862	786174
+198.89722	395973
+204.91814	144351
+207.03175	128561
+215.95221	617511
+216.9602	670313	"Theoretical m/z 216.96118, Mass diff 0 (0 ppm), Formula C12H3Cl2"
+217.94925	517172
+218.95732	388346
+237.88977	156343
+239.8869	234757
+250.92111	223913	"Theoretical m/z 250.922208, Mass diff 0.001 (0 ppm), Formula C12H2Cl3"
+251.92879	3606480
+252.93208	664077
+253.92581	3583471
+254.92909	529093
+255.92285	1150412
+256.92602	127619
+257.91977	140850
+261.88986	171743
+263.88681	207125
+273.84808	142436
+285.88965	527571
+286.8978	777748	"Theoretical m/z 286.898886, Mass diff 0.001 (0 ppm), Formula C12H3Cl4"
+287.88681	744102
+288.89487	1070358
+289.88385	449680
+290.89194	523126
+321.86618	7563085
+322.86945	1031354
+323.86316	11917516
+324.86649	1582183
+325.86017	7669694
+326.86356	978237
+327.85718	2445558
+328.86056	317015
+329.85431	396702
+356.83499	1937815	"Theoretical m/z 356.836048, Mass diff 0.001 (2.96 ppm), SMILES C=1C=C(C=C(C=1C=2C(=CC(=C(C=2Cl)Cl)Cl)Cl)Cl)Cl, Annotation [C12H4Cl6-H]+, Rule of HR True"
+357.83844	332845
+358.83197	3880408
+359.83496	541034
+360.82898	2982702
+361.83206	372277
+362.82605	1303304
+363.82907	165468
+364.82309	263167
+391.80396	5824881	"Theoretical m/z 391.804902, Mass diff 0.001 (2.4 ppm), SMILES C2=C(C=1C(=CC(=C(C=1Cl)Cl)Cl)Cl)C(=CC(=C2Cl)Cl)Cl, Annotation [C12H3Cl7]+, Rule of HR False"
+392.80719	723496
+393.80078	12521001
+394.80411	1621834
+395.79773	12232942
+396.80115	1525921
+397.79477	6339693
+398.79822	844384
+399.79184	2041010
+400.79514	256252
+401.78888	370388
+
+NAME: 2,2',3,3',4,4',5-Heptachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2566.5
+PRECURSORMZ: 391.80292
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H3Cl7
+INCHIKEY: RMPWIIKNWPVWNG-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 135
+73.00691	285267	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+79.92522	497008
+81.92317	516408
+83.97575	288023
+85.00684	285638	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10076	134374
+86.01466	194660	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+89.98741	284526
+90.49126	377427
+90.9952	250310
+91.48982	125661
+94.9679	142108	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.93875	225991
+95.97567	213671
+97.00681	221938	"Theoretical m/z 97.007825, Mass diff 0 (0 ppm), Formula C8H"
+98.01462	471174
+106.94443	182861	"Theoretical m/z 106.94553, Mass diff 0.001 (0 ppm), Formula C3HCl2"
+107.47167	226465
+107.97554	686943
+108.47949	358627
+108.94646	356383
+109.00666	586188	"Theoretical m/z 109.007825, Mass diff 0.001 (0 ppm), Formula C9H"
+109.47804	147677
+110.01463	341701
+117.93654	157827
+119.97557	238164
+119.99886	384766	"Theoretical m/z 120, Mass diff 0.001 (0 ppm), Formula C10"
+120.96418	270175
+121.06416	217775
+122.01444	268954
+125.4599	317580
+125.96382	1576365
+126.45844	492161
+126.96232	1517364
+127.46398	216351
+127.96082	457288
+130.94432	200222	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.97543	588981
+132.98322	364435	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.97252	197949
+141.93651	153522
+142.94424	833115
+143.44859	137054
+143.94273	1171918
+143.99861	257093	"Theoretical m/z 144, Mass diff 0.001 (0 ppm), Formula C12"
+144.44708	188747
+144.94128	705742
+144.98306	185243	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+146.0143	596260
+147.02203	225600	"Theoretical m/z 147.023475, Mass diff 0.001 (0 ppm), Formula C12H3"
+155.97522	253374
+160.93245	2127845
+161.43413	288869
+161.93094	3497294
+162.43262	466618
+162.92946	2147841
+163.43115	252270
+163.92796	699227
+166.94392	145780	"Theoretical m/z 166.94553, Mass diff 0.001 (0 ppm), Formula C8HCl2"
+167.95177	145200
+168.94113	128564	"Theoretical m/z 168.937858, Mass diff -0.004 (0 ppm), Formula C5H4Cl3"
+177.91284	179671
+178.41687	274452
+178.91139	329712
+179.41536	547349
+179.90987	334507
+179.9751	195487
+180.41382	470378
+180.91539	196699
+180.9829	323758	"Theoretical m/z 180.984503, Mass diff 0.001 (0 ppm), Formula C12H2Cl"
+181.41242	191591
+181.99069	829816
+182.994	197392
+183.98782	231997
+191.95175	154556
+195.90112	256019
+196.89958	540221
+197.89806	580010
+198.89671	270318
+202.92042	128796	"Theoretical m/z 202.922208, Mass diff 0.001 (0 ppm), Formula C8H2Cl3"
+204.91768	172384
+207.0312	346214
+215.95164	574232
+216.95966	592125	"Theoretical m/z 216.96118, Mass diff 0.001 (0 ppm), Formula C12H3Cl2"
+217.94862	432398
+218.95662	367994
+227.90952	123415
+237.88928	166834
+239.88612	210911
+250.92027	234171	"Theoretical m/z 250.922208, Mass diff 0.001 (0 ppm), Formula C12H2Cl3"
+251.92819	3513595
+252.9174	221565
+252.9314	672425
+253.92517	3514910
+254.92836	480036
+255.92226	1106102
+256.92557	137168
+257.91962	137723
+263.88614	130720
+285.88907	579949
+286.89712	760995	"Theoretical m/z 286.898886, Mass diff 0.001 (0 ppm), Formula C12H3Cl4"
+287.88605	807234
+288.8941	1029028
+289.88324	477468
+290.89124	507395
+292.8887	133057
+321.86536	7165677
+322.86859	965330
+323.86233	11521823
+324.86566	1547131
+325.85938	7550562
+326.86258	955355
+327.85648	2431073
+328.85962	307140
+329.85358	419027
+356.83408	2666135
+357.83777	425679
+358.83108	5071238
+359.8342	719705
+360.82809	3990439
+361.83142	543467
+362.82513	1685743
+363.82831	189526
+364.82193	409632
+391.80292	4714843
+392.80634	602778
+393.7998	10722646
+394.8031	1361180
+395.79675	10228078
+396.80014	1286333
+397.79379	5417086
+398.79718	701478
+399.79077	1692480
+400.7944	230267
+401.78772	325897
+
+NAME: 2,2',3,4,5'-Pentachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2162.5
+PRECURSORMZ: 323.88104
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H5Cl5
+INCHIKEY: OPKYDBFRKPQCBS-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 87
+73.00693	288512	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.51082	211726
+74.01473	533337	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+79.92521	495254
+81.92317	528167
+83.97574	334995
+85.00687	404530	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01468	409701	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+90.9952	201768
+91.49911	286862
+92.003	1452287
+92.50466	243689
+93.00156	436619
+95.93874	169041
+96.98353	394610	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01463	967709
+99.02245	577212	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97557	357095
+108.98344	1991867	"Theoretical m/z 108.983957, Mass diff 0.001 (4.74 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.48507	269460
+109.98193	1378067
+110.01456	272165
+110.98045	389494
+119.99891	200158	"Theoretical m/z 120, Mass diff 0.001 (0 ppm), Formula C10"
+120.96412	187519
+121.06417	168772
+122.01445	656789
+123.02225	538568	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+126.97162	3407082
+127.47333	430775
+127.97013	3162041
+128.47182	383504
+128.96864	949516
+131.97545	250042
+132.9832	330180	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.99106	199168
+134.98027	203949
+143.95203	566561
+144.45606	266760
+144.95056	771588
+145.45454	367567
+145.94902	360253
+146.0143	374219
+147.0221	587840	"Theoretical m/z 147.023475, Mass diff 0.001 (0 ppm), Formula C12H3"
+148.02991	516182
+149.03777	770669	"Theoretical m/z 149.039125, Mass diff 0.001 (0 ppm), Formula C12H5"
+157.99084	230487
+161.94029	344433
+162.93877	573238
+163.93726	345675
+169.96738	190541
+181.99077	246401
+182.99858	680355	"Theoretical m/z 183.000153, Mass diff 0.001 (0 ppm), Formula C12H4Cl"
+184.00635	3980850
+185.00969	708350
+186.0034	1203015
+207.03125	267516
+217.9673	1230072
+218.97533	932142	"Theoretical m/z 218.976831, Mass diff 0.001 (0 ppm), Formula C12H5Cl2"
+219.96436	912973
+220.97232	560125
+221.96166	181287
+246.98131	212844
+253.94379	12028852
+254.94708	1628610
+255.9408	11769573
+256.94415	1542635
+257.93787	3838435
+258.94125	442087
+259.93503	420503
+287.90469	198347
+288.91254	4963937
+289.91559	883121
+290.90948	6468896
+291.91269	899010
+292.90656	3141644
+293.90997	376356
+294.90353	673379
+323.88104	10230728
+324.88437	1268942
+325.87805	16493268
+326.88138	2086246
+327.87503	10541702
+328.87842	1348128
+329.87207	3328237
+330.87537	422695
+331.86911	561052
+
+NAME: 2,3,3',4',6-Pentachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2184
+PRECURSORMZ: 323.88104
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H5Cl5
+INCHIKEY: ARXHIJMGSIYYRZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 68
+74.01472	297944	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+81.92318	591579
+83.97573	330814
+85.00685	329783	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.10077	297637
+86.01466	384302	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+91.4991	360130
+92.00301	940442
+93.00157	485347
+96.98351	372424	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01463	928159
+99.02244	567877	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+107.97559	341825
+108.98342	1895866	"Theoretical m/z 108.983957, Mass diff 0.001 (4.92 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.4851	319114
+109.98194	1295246
+110.01456	271803
+110.98042	297727
+122.01444	594083
+122.94332	521402
+123.02226	551919	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+126.97163	2962211
+127.47337	441108
+127.97013	2826203
+128.47174	367341
+128.96863	650669
+132.98328	402256	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+143.95206	423092
+144.45615	288851
+144.95053	901228
+146.01433	614231
+147.02212	649383	"Theoretical m/z 147.023475, Mass diff 0.001 (0 ppm), Formula C12H3"
+148.02991	523070
+149.0377	814818	"Theoretical m/z 149.039125, Mass diff 0.001 (0 ppm), Formula C12H5"
+161.94034	338904
+162.9388	503495
+163.93732	385350
+181.99072	361856
+182.9986	689003	"Theoretical m/z 183.000153, Mass diff 0.001 (0 ppm), Formula C12H4Cl"
+184.00636	3762311
+185.00977	703076
+186.00337	1203042
+203.92836	268284
+217.96728	1412510
+218.97531	891473	"Theoretical m/z 218.976831, Mass diff 0.001 (0 ppm), Formula C12H5Cl2"
+219.96431	931222
+220.97235	476116
+253.94379	10444564
+254.9471	1250696
+255.94078	10392588
+256.94412	1338255
+257.93784	3296509
+258.94122	443299
+259.93497	326939
+287.9046	334309
+288.9126	599918	"Theoretical m/z 288.91399, Mass diff 0.001 (4.81 ppm), SMILES C1=CC(=C(C=C1C=2C=C(C=CC=2Cl)Cl)Cl)Cl, Annotation [C12H6Cl4-H]+, Rule of HR True"
+289.90182	489206
+290.9097	597380
+292.90659	408251
+323.88104	15926354
+324.8844	2031161
+325.87805	25273288
+326.88138	3258012
+327.875	14903004
+328.87833	2057742
+329.87198	4895958
+330.87543	513702
+331.86902	709279
+
+NAME: 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2778.4
+PRECURSORMZ: 459.7247
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12HCl9
+INCHIKEY: JFIMDKGRGPNPRQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 181
+79.92521	395408
+81.92316	403842
+83.99908	150977	"Theoretical m/z 84, Mass diff 0 (0 ppm), Formula C7"
+89.98736	596196
+90.98586	166927
+94.96783	237907	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.93873	203209
+95.96635	185941
+96.99328	142058
+106.96774	443699	"Theoretical m/z 106.968853, Mass diff 0.001 (0 ppm), Formula C6Cl"
+107.47163	451083
+107.97551	562328
+108.47012	231484
+108.94653	78339
+109.00679	235290	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+117.93656	279233
+118.96775	133263	"Theoretical m/z 118.968853, Mass diff 0.001 (0 ppm), Formula C7Cl"
+119.9336	435798
+119.99883	252390	"Theoretical m/z 120, Mass diff 0.001 (0 ppm), Formula C10"
+124.45209	174261
+124.94132	365189
+125.45062	184586
+125.95449	322200
+126.44919	83605
+126.95303	113538
+129.93651	134921
+130.93501	146374
+130.94429	84083	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.97539	487774
+133.01286	166288
+133.97243	87407
+140.90508	119560	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+141.93642	477872
+142.44032	487362
+142.93497	353197
+142.96768	491101	"Theoretical m/z 142.968853, Mass diff 0.001 (0 ppm), Formula C9Cl"
+143.43881	655979
+143.93338	479203
+143.99867	764596	"Theoretical m/z 144, Mass diff 0.001 (0 ppm), Formula C12"
+144.43735	294684
+144.94147	96062
+145.00653	232472	"Theoretical m/z 145.007825, Mass diff 0.001 (0 ppm), Formula C12H"
+153.9362	92486
+155.97525	210688
+159.42072	113236
+159.92461	1191481
+160.41928	313193
+160.92313	2059009
+161.42488	365850
+161.92166	1297776
+162.4234	182401
+162.92013	436405
+163.91864	76515
+165.93625	279391
+166.90208	149261
+167.93326	243128
+168.92986	83751
+176.90504	216033
+177.4092	119729
+177.90356	413679
+178.40742	262010
+178.90202	378217
+179.40619	209122
+179.90057	231359
+179.97505	825936
+180.40469	88201
+180.97873	99610
+181.97214	189775
+189.93607	161418
+190.99998	92151
+191.93309	116167
+194.89326	1358496
+195.39479	164963
+195.89175	3035174
+196.39339	405196
+196.89026	2992800
+197.39191	384421
+197.88876	1511830
+198.39038	208587
+198.88725	507792
+201.91264	138934
+203.90984	101011
+207.03124	427451
+212.37762	182273
+213.37613	411082
+213.87074	125398
+213.93594	251077
+214.37466	514996
+214.94398	208662	"Theoretical m/z 214.94553, Mass diff 0.001 (0 ppm), Formula C12HCl2"
+215.37314	311743
+215.93321	144659
+216.3718	128948
+216.94086	129092
+225.91258	122939
+227.9097	125494
+229.86206	264684
+230.8605	672488
+231.3622	83814
+231.85899	852390
+232.36073	100055
+232.85762	677723
+233.35907	93624
+233.85597	312405
+234.85461	93871
+236.88147	84980	"Theoretical m/z 236.883236, Mass diff 0.001 (0 ppm), Formula C8HCl4"
+238.87842	111792
+248.88124	124967	"Theoretical m/z 248.883236, Mass diff 0.001 (0 ppm), Formula C9HCl4"
+249.91249	1256334
+250.91571	324066
+251.90955	1262636
+252.91272	214829
+253.90642	382114
+261.87048	96515
+271.85025	81517
+272.88098	134276	"Theoretical m/z 272.883236, Mass diff 0.002 (0 ppm), Formula C11HCl4"
+273.84698	127246
+274.87854	138663
+275.84421	107174
+281.04974	84050
+283.87344	233812
+284.88138	454883	"Theoretical m/z 284.883236, Mass diff 0.001 (0 ppm), Formula C12HCl4"
+285.87042	329007
+286.87833	570607
+287.86795	202522
+288.87555	277174
+295.85022	79053
+297.8468	115259
+299.84402	77389
+319.84967	2687634
+320.85297	405310
+321.84674	4375286
+322.84992	620271
+323.84375	2861986
+324.84692	377361
+325.84079	936181
+326.84433	124407
+327.83814	165835
+353.81024	98094
+354.81815	506539	"Theoretical m/z 354.820941, Mass diff 0.002 (0 ppm), Formula C12HCl6"
+355.80759	258985
+356.8154	972586
+357.81879	295314
+358.8125	786216
+359.8175	191268
+360.80966	338512
+362.80679	84819
+389.7872	2995297
+390.7905	389706
+391.78421	6729092
+392.78748	895309
+393.7811	6382146
+394.78433	803429
+395.77811	3370432
+396.78156	446649
+397.77512	1075972
+398.77896	133972
+399.77212	205366
+424.75592	1107369
+425.75916	170654
+426.75262	2851357
+427.75668	418277
+428.74972	3175617
+429.75369	462939
+430.74664	2026972
+431.75064	277446
+432.74359	833024
+433.74704	111993
+434.73996	205660
+459.7247	2095029	"Theoretical m/z 459.72696, Mass diff 0.002 (4.92 ppm), SMILES C2=C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl, Annotation [C12HCl9]+, Rule of HR False"
+460.72781	268097
+461.72162	5972664
+462.72501	762190
+463.71823	7586878
+464.72159	965879
+465.71521	5567532
+466.71857	694389
+467.71216	2671020
+468.71552	345326
+469.70929	841394
+470.71298	101467
+471.70606	147213
+
+NAME: 2,2',3,5,5',6-Hexachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2211.2
+PRECURSORMZ: 357.84189
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl6
+INCHIKEY: UHCLFIWDCYOTOL-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 112
+73.00692	366858	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.5108	203769
+74.01473	234622	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+79.92521	534792
+81.92317	576629
+83.97575	269067
+85.00686	377975	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01465	270486	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+90.49132	334358
+90.99519	297204
+91.49898	275205
+95.93881	223453
+97.00674	259553	"Theoretical m/z 97.007825, Mass diff 0.001 (0 ppm), Formula C8H"
+98.01462	726301
+99.02241	149691	"Theoretical m/z 99.023475, Mass diff 0.001 (0 ppm), Formula C8H3"
+107.97556	529962
+108.47948	276682
+108.98341	2120905
+109.48506	367643
+109.98193	1358503
+110.98039	274896
+119.97553	322065
+120.96414	233298
+121.06416	226840
+122.01446	650549
+122.94332	194606
+123.0222	192029	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+125.96381	1099548
+126.46543	276276
+126.96233	1080604
+127.46389	234522
+127.96082	294848
+130.9444	142052	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.97543	524536
+132.98334	407382	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.97246	207550
+134.98021	167714
+142.94417	171968	"Theoretical m/z 142.94553, Mass diff 0.001 (0 ppm), Formula C6HCl2"
+143.95206	3021386
+144.45366	375907
+144.95053	3823782
+144.98335	172699	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+145.45221	459665
+145.94904	2259452
+146.01425	553899
+146.45067	221012
+146.9475	356243
+147.02211	857807	"Theoretical m/z 147.023475, Mass diff 0.001 (0 ppm), Formula C12H3"
+148.02989	470858
+155.9752	211385
+156.98306	143788	"Theoretical m/z 156.984503, Mass diff 0.001 (0 ppm), Formula C10H2Cl"
+157.99077	172701
+160.9324	282304
+161.43672	145659
+161.93092	461620
+162.4352	253028
+162.92949	305781
+163.43347	167863
+168.9829	160825	"Theoretical m/z 168.984503, Mass diff 0.001 (0 ppm), Formula C11H2Cl"
+178.92065	554014
+179.91916	954264
+180.91769	955735	"Theoretical m/z 180.914536, Mass diff -0.004 (0 ppm), Formula C3H5Cl4"
+180.98297	205165	"Theoretical m/z 180.984503, Mass diff 0.001 (0 ppm), Formula C12H2Cl"
+181.91608	313707
+181.99071	620936
+182.91457	146813
+182.9985	912816	"Theoretical m/z 183.000153, Mass diff 0.001 (0 ppm), Formula C12H4Cl"
+183.98779	297581
+184.99564	213146
+191.95186	173266
+193.94873	149610
+207.03122	311348
+215.95171	155449
+216.95944	417154	"Theoretical m/z 216.96118, Mass diff 0.001 (0 ppm), Formula C12H3Cl2"
+217.96727	4129540
+218.97058	734581
+219.96431	2595534
+220.96764	356817
+221.96133	476354
+251.92815	747483
+252.93613	890020	"Theoretical m/z 252.937858, Mass diff 0.001 (0 ppm), Formula C12H4Cl3"
+253.92519	782382
+254.93326	824423
+255.92224	316961
+256.93048	279634
+287.90463	9516322
+288.90793	1272921
+289.90164	12342542
+290.90494	1550773
+291.89871	5913194
+292.90207	742783
+293.89581	1331757
+294.89877	170673
+322.87314	4936366
+323.87656	727585
+324.87021	7911468
+325.87341	1050921
+326.86722	4986988
+327.87039	626498
+328.86423	1605295
+329.86758	212505
+330.86139	280175
+357.84189	7209536
+358.84522	948403
+359.83887	13922027
+360.84226	1740135
+361.83588	10802318
+362.83929	1433729
+363.83289	4586166
+364.83618	583036
+365.82962	1102826
+366.83286	143331
+
+NAME: 2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2592.5
+PRECURSORMZ: 421.81342
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H5Cl7O
+INCHIKEY: KMYYWRRSXKVAQO-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=C(C(=C(C(=C1Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 187
+79.92521	466680
+81.06949	126794
+81.92316	464785
+83.98739	443558
+84.98585	141454	"Theoretical m/z 84.984503, Mass diff -0.002 (0 ppm), Formula C4H2Cl"
+85.00687	261649	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.96282	166553	"Theoretical m/z 86.963767, Mass diff 0 (0 ppm), Formula C3ClO"
+88.96793	124203
+89.98735	219320
+94.96783	167329	"Theoretical m/z 94.968853, Mass diff 0 (0 ppm), Formula C5Cl"
+95.93877	124939
+95.97568	113926
+96.98354	174451	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.0146	117270
+101.47178	196291
+102.47023	109670
+107.97557	263996
+108.94155	253563
+109.00678	427249	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+110.01459	153807
+116.90531	128592	"Theoretical m/z 116.906558, Mass diff 0.001 (0 ppm), Formula CCl3"
+118.90231	266580
+118.94846	132139
+119.45989	276925
+119.97553	380947
+120.45847	273020
+120.96413	126856
+121.06416	138238
+122.01447	120226
+125.4599	124194
+125.96381	142151
+126.45842	130955
+126.96229	140296
+129.93645	134215
+130.94431	192734	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.97545	519321
+132.94133	134010
+133.00659	344321	"Theoretical m/z 133.007825, Mass diff 0.001 (0 ppm), Formula C11H"
+133.97238	99972
+134.01445	299884
+136.94426	324794
+137.43898	141555
+137.94281	422895
+138.94127	181386
+140.90524	315576	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+141.9364	99857
+142.9442	717420
+143.94275	661787
+143.97536	222219
+144.94118	405295
+144.98312	146302	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+146.01428	266795
+154.42856	503919
+154.94395	191759	"Theoretical m/z 154.94553, Mass diff 0.001 (0 ppm), Formula C7HCl2"
+155.42703	701969
+155.92868	101906
+155.97514	221272
+156.42561	487210
+156.94109	165437
+157.42419	141427
+166.90218	146978	"Theoretical m/z 166.898886, Mass diff -0.004 (0 ppm), Formula C2H3Cl4"
+167.97522	171314
+168.98294	432851	"Theoretical m/z 168.984503, Mass diff 0.001 (0 ppm), Formula C11H2Cl"
+169.972	102153
+170.9799	118926
+177.91269	138705
+178.91147	288719
+178.96346	117308
+179.90984	158881
+179.97502	152113
+181.99083	101348
+202.9438	188321	"Theoretical m/z 202.94553, Mass diff 0.001 (0 ppm), Formula C11HCl2"
+203.95177	171723
+204.94106	190207	"Theoretical m/z 204.937858, Mass diff -0.004 (0 ppm), Formula C8H4Cl3"
+205.94876	130244
+207.03122	303864
+211.90471	216208
+212.90338	172974	"Theoretical m/z 212.906558, Mass diff 0.003 (0 ppm), Formula C9Cl3"
+213.90157	102315
+214.92055	302320	"Theoretical m/z 214.922208, Mass diff 0.001 (0 ppm), Formula C9H2Cl3"
+215.95154	263235
+216.91763	319001	"Theoretical m/z 216.914536, Mass diff -0.004 (0 ppm), Formula C6H5Cl4"
+217.94868	229996
+218.91466	103063	"Theoretical m/z 218.917123, Mass diff 0.002 (0 ppm), Formula C8H2Cl3O"
+238.92033	2331886	"Theoretical m/z 238.922208, Mass diff 0.001 (0 ppm), Formula C11H2Cl3"
+239.92345	334316
+240.91734	2215101	"Theoretical m/z 240.914536, Mass diff -0.003 (0 ppm), Formula C8H5Cl4"
+241.92035	272711
+242.91443	674768	"Theoretical m/z 242.917123, Mass diff 0.002 (0 ppm), Formula C10H2Cl3O"
+249.88925	106587
+250.92036	180490	"Theoretical m/z 250.922208, Mass diff 0.001 (0 ppm), Formula C12H2Cl3"
+251.85886	119130
+251.92824	568780
+252.9174	165025	"Theoretical m/z 252.914536, Mass diff -0.003 (0 ppm), Formula C9H5Cl4"
+253.92517	564352
+255.92246	212447
+260.8396	101721	"Theoretical m/z 260.836591, Mass diff -0.004 (0 ppm), Formula C4H3Cl6"
+263.88599	102676
+272.88135	244329	"Theoretical m/z 272.883236, Mass diff 0.001 (0 ppm), Formula C11HCl4"
+273.88922	807022
+274.87857	407383	"Theoretical m/z 274.875564, Mass diff -0.004 (0 ppm), Formula C8H4Cl5"
+275.88614	1076744
+276.87588	154605	"Theoretical m/z 276.87815, Mass diff 0.002 (0 ppm), Formula C10HCl4O"
+277.88324	471921
+284.85788	255674	"Theoretical m/z 284.859913, Mass diff 0.001 (0 ppm), Formula C9H2Cl5"
+285.88907	490486
+286.85492	481886	"Theoretical m/z 286.852241, Mass diff -0.003 (0 ppm), Formula C6H5Cl6"
+287.88599	827129
+288.85214	419751	"Theoretical m/z 288.854828, Mass diff 0.002 (0 ppm), Formula C8H2Cl5O"
+289.88309	476430
+290.849	186161	"Theoretical m/z 290.847156, Mass diff -0.002 (0 ppm), Formula C5H5Cl6O"
+291.88028	152232
+301.884	194652
+303.88101	264342
+305.87769	119943
+308.85764	3794673	"Theoretical m/z 308.859913, Mass diff 0.002 (0 ppm), Formula C11H2Cl5"
+309.86099	529643
+310.85471	6249868	"Theoretical m/z 310.852241, Mass diff -0.003 (0 ppm), Formula C8H5Cl6"
+311.858	822081
+312.85172	3994645	"Theoretical m/z 312.854828, Mass diff 0.003 (0 ppm), Formula C10H2Cl5O"
+313.85495	463850
+314.84872	1296956	"Theoretical m/z 314.847156, Mass diff -0.002 (0 ppm), Formula C7H5Cl6O"
+315.85181	145959
+316.84576	218757
+318.81848	135574	"Theoretical m/z 318.820941, Mass diff 0.002 (0 ppm), Formula C9HCl6"
+320.8154	405772	"Theoretical m/z 320.813269, Mass diff -0.003 (0 ppm), Formula C6H4Cl7"
+321.86517	326852
+322.81259	353096	"Theoretical m/z 322.815856, Mass diff 0.003 (0 ppm), Formula C8HCl6O"
+322.85446	133754	"Theoretical m/z 322.852241, Mass diff -0.003 (0 ppm), Formula C9H5Cl6"
+323.86243	531808
+324.80963	217785	"Theoretical m/z 324.808184, Mass diff -0.002 (0 ppm), Formula C5H4Cl7O"
+324.85165	124531	"Theoretical m/z 324.854828, Mass diff 0.003 (0 ppm), Formula C11H2Cl5O"
+325.85928	329324
+327.85693	139673
+336.85239	523763	"Theoretical m/z 336.854828, Mass diff 0.002 (0 ppm), Formula C12H2Cl5O"
+338.84936	856251	"Theoretical m/z 338.847156, Mass diff -0.003 (0 ppm), Formula C9H5Cl6O"
+339.85159	109741
+340.8464	513497
+342.81848	578622	"Theoretical m/z 342.820941, Mass diff 0.002 (0 ppm), Formula C11HCl6"
+344.81543	756640	"Theoretical m/z 344.813269, Mass diff -0.003 (0 ppm), Formula C8H4Cl7"
+345.82156	139169
+346.81241	677801	"Theoretical m/z 346.815856, Mass diff 0.003 (0 ppm), Formula C10HCl6O"
+347.82037	121522
+348.80963	286568	"Theoretical m/z 348.808184, Mass diff -0.002 (0 ppm), Formula C7H4Cl7O"
+351.87555	193345
+353.87262	328750
+355.82599	425152
+357.82318	418476
+359.82004	299703
+361.81699	129467
+371.82101	143538
+373.81799	375845
+375.83383	440760
+377.83069	235386
+378.79501	3079515	"Theoretical m/z 378.797619, Mass diff 0.002 (0 ppm), Formula C11H2Cl7"
+379.79822	406023
+380.79205	6835458
+381.79535	801368
+382.789	6705656	"Theoretical m/z 382.792533, Mass diff 0.003 (0 ppm), Formula C10H2Cl7O"
+383.79233	785784
+384.7861	3510612
+385.78943	407994
+386.78311	1116363
+387.7865	152032
+388.78021	213314
+388.84097	198012
+390.83865	156569
+406.78989	1208566
+407.79291	141602
+408.7869	2694138
+409.7905	348952
+410.78394	2583766
+411.78744	314966
+412.78107	1325370
+413.78442	168994
+414.77802	404228
+421.81342	4294546	"Theoretical m/z 421.815461, Mass diff 0.002 (4.84 ppm), SMILES O(C2=C(C(=C(C1=CC(=C(C=C1Cl)Cl)Cl)C(=C2Cl)Cl)Cl)Cl)C, Annotation [C13H5Cl7O]+, Rule of HR False"
+422.81677	590574
+423.81036	9957727
+424.81369	1233446
+425.80731	9539148
+426.81036	1255016
+427.80392	4945008
+428.80753	601277
+429.80087	1526212
+430.80423	214489
+431.79828	267497
+
+NAME: 2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2492.5
+PRECURSORMZ: 387.85245
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H6Cl6O
+INCHIKEY: TXGGVMUGQFGMGI-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=C(C(=CC(=C1Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 192
+71.98742	207622
+73.00694	245383	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+74.01474	132408	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+79.92522	407626
+80.91537	113676
+81.92316	414761
+82.94455	171355	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+83.98745	411995
+84.4913	272949
+84.9416	179158
+85.00687	527479	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+85.4898	119582
+86.01466	398137	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+86.96284	124531	"Theoretical m/z 86.963767, Mass diff 0 (0 ppm), Formula C3ClO"
+87.02247	136166	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.96786	119705
+90.49126	126706
+95.97559	276296
+96.98353	363726	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01465	469198
+98.98055	200702
+101.97559	148773
+102.47958	203389
+102.98348	303064
+103.48734	309556
+104.02512	171683	"Theoretical m/z 104.026215, Mass diff 0.001 (0 ppm), Formula C7H4O"
+104.06152	113586
+104.4859	126003
+106.94447	469467	"Theoretical m/z 106.94553, Mass diff 0.001 (0 ppm), Formula C3HCl2"
+107.97558	349369
+108.94152	789123
+109.00678	479006	"Theoretical m/z 109.007825, Mass diff 0 (0 ppm), Formula C9H"
+110.01459	504490
+111.02237	157239	"Theoretical m/z 111.023475, Mass diff 0.001 (0 ppm), Formula C9H3"
+116.98089	121272
+117.97929	124483
+119.45998	132624
+119.96385	717444
+120.4678	588621
+120.98331	709042	"Theoretical m/z 120.984503, Mass diff 0.001 (0 ppm), Formula C7H2Cl"
+121.06419	405489
+121.46629	527546
+121.96088	241931
+122.0144	457803
+122.46478	141843
+122.94335	160832
+122.96205	172253
+122.98034	143296
+125.96374	297111
+126.96231	307033
+128.00163	121592
+130.94434	333713	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.97546	350428
+132.94128	576031
+132.98335	330075	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.96124	184311
+134.01442	497586
+134.96907	436644
+135.02217	757577	"Theoretical m/z 135.023475, Mass diff 0.001 (0 ppm), Formula C11H3"
+135.96754	261658
+136.96608	131035
+137.0379	175924	"Theoretical m/z 137.039125, Mass diff 0.001 (0 ppm), Formula C11H5"
+137.44818	617690
+137.94984	121094
+138.4467	756716
+139.44522	363634
+140.90514	174778	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+142.9442	282616
+143.97537	340406
+144.98311	491938	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+146.01428	334319
+146.98018	208870
+154.94409	162607	"Theoretical m/z 154.94553, Mass diff 0.001 (0 ppm), Formula C7HCl2"
+156.94109	180348
+161.93094	162509
+168.98297	410298	"Theoretical m/z 168.984503, Mass diff 0.001 (0 ppm), Formula C11H2Cl"
+169.99086	241283
+170.97995	161545	"Theoretical m/z 170.976831, Mass diff -0.004 (0 ppm), Formula C8H5Cl2"
+170.99861	884778	"Theoretical m/z 171.000153, Mass diff 0.001 (0 ppm), Formula C11H4Cl"
+171.95076	226019
+172.00641	204589
+172.9956	236875
+180.95961	282475	"Theoretical m/z 180.96118, Mass diff 0.001 (0 ppm), Formula C9H3Cl2"
+181.99075	270718
+182.95665	221769	"Theoretical m/z 182.953508, Mass diff -0.004 (0 ppm), Formula C6H6Cl3"
+183.98775	120439
+194.9243	125602
+195.92281	112990
+202.94406	164930	"Theoretical m/z 202.94553, Mass diff 0.001 (0 ppm), Formula C11HCl2"
+203.92859	177495
+204.95949	2197636	"Theoretical m/z 204.96118, Mass diff 0.001 (0 ppm), Formula C11H3Cl2"
+205.96745	670782
+206.95656	1908766	"Theoretical m/z 206.953508, Mass diff -0.004 (0 ppm), Formula C8H6Cl3"
+207.0312	210987
+207.96481	410390
+208.97218	558113
+209.01042	521069
+214.92053	374845	"Theoretical m/z 214.922208, Mass diff 0.001 (0 ppm), Formula C9H2Cl3"
+215.95164	190979
+216.9175	522679	"Theoretical m/z 216.914536, Mass diff -0.004 (0 ppm), Formula C6H5Cl4"
+217.96735	604025
+218.91452	257560	"Theoretical m/z 218.917123, Mass diff 0.002 (0 ppm), Formula C8H2Cl3O"
+219.96451	381385
+238.92035	480287	"Theoretical m/z 238.922208, Mass diff 0.001 (0 ppm), Formula C11H2Cl3"
+239.92827	868743
+240.93619	1560404	"Theoretical m/z 240.937858, Mass diff 0.001 (0 ppm), Formula C11H4Cl3"
+241.9254	932126
+242.93323	1225045	"Theoretical m/z 242.930186, Mass diff -0.004 (0 ppm), Formula C8H7Cl4"
+243.92235	370435
+244.93034	352471
+250.89694	280960	"Theoretical m/z 250.898886, Mass diff 0.001 (0 ppm), Formula C9H3Cl4"
+251.8862	115947
+251.92815	634359
+252.89397	450219	"Theoretical m/z 252.891214, Mass diff -0.003 (0 ppm), Formula C6H6Cl5"
+253.92523	696545
+254.89102	238304	"Theoretical m/z 254.8938, Mass diff 0.002 (0 ppm), Formula C8H3Cl4O"
+255.92253	292267
+263.88614	125126
+267.92306	214288
+268.93112	159806
+269.93875	2802249
+270.9419	516880
+271.93579	2531134
+272.93906	383262
+273.93292	894381
+274.89697	4358276	"Theoretical m/z 274.898886, Mass diff 0.001 (0 ppm), Formula C11H3Cl4"
+275.90008	696328
+276.89392	5671406	"Theoretical m/z 276.891214, Mass diff -0.003 (0 ppm), Formula C8H6Cl5"
+277.89719	720278
+278.89093	2946984	"Theoretical m/z 278.8938, Mass diff 0.002 (0 ppm), Formula C10H3Cl4O"
+279.89426	332677
+280.88797	739435
+284.85785	678811	"Theoretical m/z 284.859913, Mass diff 0.002 (0 ppm), Formula C9H2Cl5"
+286.85492	1184810	"Theoretical m/z 286.852241, Mass diff -0.003 (0 ppm), Formula C6H5Cl6"
+287.90478	640103
+288.85196	848418	"Theoretical m/z 288.854828, Mass diff 0.002 (0 ppm), Formula C8H2Cl5O"
+288.8941	135665	"Theoretical m/z 288.891214, Mass diff -0.003 (0 ppm), Formula C9H6Cl5"
+289.90167	772281
+290.84897	328944	"Theoretical m/z 290.847156, Mass diff -0.002 (0 ppm), Formula C5H5Cl6O"
+291.8988	312870
+302.89163	674714	"Theoretical m/z 302.8938, Mass diff 0.002 (0 ppm), Formula C12H3Cl4O"
+303.89996	479219
+304.88864	1267448	"Theoretical m/z 304.886128, Mass diff -0.003 (0 ppm), Formula C9H6Cl5O"
+305.89676	644932
+306.90472	909112
+307.8938	354328
+308.85757	946075	"Theoretical m/z 308.859913, Mass diff 0.002 (0 ppm), Formula C11H2Cl5"
+309.86645	238048
+310.8548	1013742	"Theoretical m/z 310.852241, Mass diff -0.003 (0 ppm), Formula C8H5Cl6"
+311.86322	270824
+312.85181	687625	"Theoretical m/z 312.854828, Mass diff 0.002 (0 ppm), Formula C10H2Cl5O"
+313.86008	178126
+314.84885	218877	"Theoretical m/z 314.847156, Mass diff -0.002 (0 ppm), Formula C7H5Cl6O"
+317.91495	202481
+319.91186	230114
+321.86533	361231
+323.86249	400093
+325.8595	277704
+337.86005	154868
+339.87579	3224567
+340.87924	446891
+341.87283	4805152
+342.87631	664214
+343.86981	3054677
+344.83408	3904686	"Theoretical m/z 344.836591, Mass diff 0.002 (0 ppm), Formula C11H3Cl6"
+345.86685	1376137
+346.83106	6921278
+347.8345	889263
+348.82809	5325698	"Theoretical m/z 348.831506, Mass diff 0.003 (0 ppm), Formula C10H3Cl6O"
+349.83145	618122
+350.8251	2257997
+351.82819	276279
+352.82224	525664
+372.82886	3642886
+373.83234	431901
+374.82593	6866244
+375.82928	882477
+376.82294	5340202
+377.82629	680417
+378.81988	2300421
+379.82306	291554
+380.81702	531101
+387.85245	5627412
+388.85584	783457
+389.84943	10861496
+390.85275	1470425
+391.84644	8457637
+392.84985	1164699
+393.84323	3586330
+394.84653	524131
+395.8403	860545
+396.84418	111222
+
+NAME: 2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2554.1
+PRECURSORMZ: 387.85245
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H6Cl6O
+INCHIKEY: AMJYFQPBRAAINT-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=C(C=C(C(=C1Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 164
+79.92521	408303
+81.92316	463191
+82.94454	124703	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+83.98741	339172
+84.4913	178071
+84.9859	162438	"Theoretical m/z 84.984503, Mass diff -0.002 (0 ppm), Formula C4H2Cl"
+85.00684	324795	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01468	237533	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+95.97566	206966
+96.98351	268024	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.01462	399793
+101.47172	124350
+101.97564	115634
+102.47029	139720
+106.94444	453194	"Theoretical m/z 106.94553, Mass diff 0.001 (0 ppm), Formula C3HCl2"
+107.97555	274032
+108.9415	686236
+108.98338	379020	"Theoretical m/z 108.984503, Mass diff 0.001 (0 ppm), Formula C6H2Cl"
+110.01453	298217
+110.93845	121113
+119.45996	139683
+119.96385	467343
+120.45847	142584
+120.96214	433550	"Theoretical m/z 120.96118, Mass diff -0.002 (0 ppm), Formula C4H3Cl2"
+121.06415	268817
+121.96088	113630
+122.01438	262172
+122.94334	124118
+125.96384	283028
+126.96236	375083
+128.00163	149835
+130.94437	242762	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.97546	341857
+132.94132	445579
+132.98328	294801	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.97255	130407
+134.01444	320922
+135.0222	280012	"Theoretical m/z 135.023475, Mass diff 0.001 (0 ppm), Formula C11H3"
+137.44815	703262
+137.94972	181619
+138.44669	1007983
+138.94832	140192
+139.44518	487997
+140.90523	129422	"Theoretical m/z 140.906558, Mass diff 0.001 (0 ppm), Formula C3Cl3"
+142.90219	205479
+143.95198	324528
+144.95055	298125
+144.98317	114730	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+146.01422	267678
+147.02211	110252	"Theoretical m/z 147.023475, Mass diff 0.001 (0 ppm), Formula C12H3"
+149.02249	762090
+154.94411	122472	"Theoretical m/z 154.94553, Mass diff 0.001 (0 ppm), Formula C7HCl2"
+155.9753	156100
+156.94121	134588
+161.93097	143660
+167.97524	114277
+168.94099	115780	"Theoretical m/z 168.937858, Mass diff -0.004 (0 ppm), Formula C5H4Cl3"
+168.98308	323142	"Theoretical m/z 168.984503, Mass diff 0.001 (0 ppm), Formula C11H2Cl"
+169.99075	250560
+173.41544	147008
+174.4138	133531
+180.95966	186181	"Theoretical m/z 180.96118, Mass diff 0.001 (0 ppm), Formula C9H3Cl2"
+181.99069	234666
+182.9568	199650	"Theoretical m/z 182.953508, Mass diff -0.004 (0 ppm), Formula C6H6Cl3"
+183.98781	134547
+193.92583	172672
+194.92435	357585
+195.92291	259289
+196.92146	111957
+202.94395	143801	"Theoretical m/z 202.94553, Mass diff 0.001 (0 ppm), Formula C11HCl2"
+203.9283	144043
+204.95953	1827679	"Theoretical m/z 204.96118, Mass diff 0.001 (0 ppm), Formula C11H3Cl2"
+205.96286	325179
+206.95659	1120235	"Theoretical m/z 206.953508, Mass diff -0.004 (0 ppm), Formula C8H6Cl3"
+207.03119	282095
+207.95984	162685
+208.95361	181398
+215.92845	171617
+216.95979	218027	"Theoretical m/z 216.96118, Mass diff 0.001 (0 ppm), Formula C12H3Cl2"
+217.96735	595415
+218.95664	177659	"Theoretical m/z 218.953508, Mass diff -0.004 (0 ppm), Formula C9H6Cl3"
+219.96429	467996
+221.97989	119782
+238.92049	438435	"Theoretical m/z 238.922208, Mass diff 0.001 (0 ppm), Formula C11H2Cl3"
+239.92831	647075
+240.9174	500621	"Theoretical m/z 240.914536, Mass diff -0.003 (0 ppm), Formula C8H5Cl4"
+241.92528	616090
+242.9145	216987	"Theoretical m/z 242.917123, Mass diff 0.002 (0 ppm), Formula C10H2Cl3O"
+243.92241	187003
+250.89694	210532	"Theoretical m/z 250.898886, Mass diff 0.001 (0 ppm), Formula C9H3Cl4"
+251.9281	567816
+252.89392	358186	"Theoretical m/z 252.891214, Mass diff -0.003 (0 ppm), Formula C6H6Cl5"
+253.92516	790748
+254.89101	286640	"Theoretical m/z 254.8938, Mass diff 0.002 (0 ppm), Formula C8H3Cl4O"
+254.93407	149521	"Theoretical m/z 254.930186, Mass diff -0.004 (0 ppm), Formula C9H7Cl4"
+255.94081	452644
+274.89697	4019116	"Theoretical m/z 274.898886, Mass diff 0.001 (0 ppm), Formula C11H3Cl4"
+275.90021	613360
+276.89389	4985355	"Theoretical m/z 276.891214, Mass diff -0.003 (0 ppm), Formula C8H6Cl5"
+277.89712	644378
+278.8909	2452055	"Theoretical m/z 278.8938, Mass diff 0.002 (0 ppm), Formula C10H3Cl4O"
+279.89416	273008
+280.88797	503104
+282.94644	122674	"Theoretical m/z 282.948423, Mass diff 0.001 (0 ppm), Formula C13H6Cl3O"
+284.85782	496323	"Theoretical m/z 284.859913, Mass diff 0.002 (0 ppm), Formula C9H2Cl5"
+284.94357	130799
+286.85492	908774	"Theoretical m/z 286.852241, Mass diff -0.003 (0 ppm), Formula C6H5Cl6"
+287.90472	633201
+288.85196	653951	"Theoretical m/z 288.854828, Mass diff 0.002 (0 ppm), Formula C8H2Cl5O"
+288.89401	148938	"Theoretical m/z 288.891214, Mass diff -0.003 (0 ppm), Formula C9H6Cl5"
+289.90176	826763
+290.84894	273427	"Theoretical m/z 290.847156, Mass diff -0.002 (0 ppm), Formula C5H5Cl6O"
+290.90469	111221
+291.89877	449925
+293.89627	111329
+302.8916	422527	"Theoretical m/z 302.8938, Mass diff 0.002 (0 ppm), Formula C12H3Cl4O"
+304.88873	553409	"Theoretical m/z 304.886128, Mass diff -0.003 (0 ppm), Formula C9H6Cl5O"
+306.88568	256523
+308.8577	606028	"Theoretical m/z 308.859913, Mass diff 0.002 (0 ppm), Formula C11H2Cl5"
+309.86584	156672
+310.85477	883119	"Theoretical m/z 310.852241, Mass diff -0.003 (0 ppm), Formula C8H5Cl6"
+311.86316	277952
+312.85187	623244	"Theoretical m/z 312.854828, Mass diff 0.002 (0 ppm), Formula C10H2Cl5O"
+313.8591	178467
+314.849	226983	"Theoretical m/z 314.847156, Mass diff -0.002 (0 ppm), Formula C7H5Cl6O"
+317.91495	282509
+318.9043	120235
+319.91196	370760
+321.90921	421691
+323.86233	428989
+325.85944	285524
+337.86032	1022994
+338.86264	108070
+339.85718	1609580
+340.86121	113335
+341.85416	1034901
+343.85147	319431
+344.83404	3856844	"Theoretical m/z 344.836591, Mass diff 0.002 (0 ppm), Formula C11H3Cl6"
+345.83752	490643
+346.83106	7370713
+347.83447	887528
+348.82806	5882534	"Theoretical m/z 348.831506, Mass diff 0.003 (0 ppm), Formula C10H3Cl6O"
+349.83139	719392
+350.8251	2479706
+351.8284	300038
+352.8223	604518
+352.88351	545540
+354.88055	834124
+355.88608	123841
+356.87756	563261
+358.87494	173121
+372.82886	566483
+374.82593	1068405
+376.82309	847808
+378.82022	341068
+387.85245	5600522
+388.85584	743067
+389.84943	10622596
+390.85281	1486230
+391.8464	8467188
+392.84979	1237118
+393.84323	3556111
+394.84674	494772
+395.84024	865846
+
+NAME: 2,2',3,4,5,5'-Hexachlorobiphenyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2321.8
+PRECURSORMZ: 357.84189
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl6
+INCHIKEY: UCLKLGIYGBLTSM-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 104
+73.00691	375038	"Theoretical m/z 73.007825, Mass diff 0 (0 ppm), Formula C6H"
+73.5108	170212
+74.01471	257333	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+79.92521	437594
+81.92316	448356
+83.97572	235199
+85.00687	341815	"Theoretical m/z 85.007825, Mass diff 0 (0 ppm), Formula C7H"
+86.01466	247501	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+90.49127	331818
+90.99519	231245
+91.49912	201227
+95.97566	207100
+97.00678	287126	"Theoretical m/z 97.007825, Mass diff 0 (0 ppm), Formula C8H"
+98.01463	640045
+99.02242	260580	"Theoretical m/z 99.023475, Mass diff 0.001 (0 ppm), Formula C8H3"
+107.97557	502521
+108.47949	284603
+108.98343	1944183	"Theoretical m/z 108.983957, Mass diff 0.001 (4.83 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.48509	330266
+109.98193	1260927
+110.98045	247057
+119.97543	377027
+121.00654	220954	"Theoretical m/z 121.007825, Mass diff 0.001 (0 ppm), Formula C10H"
+121.06414	232185
+122.01443	569552
+123.02224	168507	"Theoretical m/z 123.023475, Mass diff 0.001 (0 ppm), Formula C10H3"
+125.96381	1206845
+126.46541	238272
+126.96233	1092914
+127.464	218458
+127.96087	287947
+130.94426	147273	"Theoretical m/z 130.94553, Mass diff 0.001 (0 ppm), Formula C5HCl2"
+131.97545	529210
+132.9832	333012	"Theoretical m/z 132.984503, Mass diff 0.001 (0 ppm), Formula C8H2Cl"
+133.97238	210761
+134.96895	160435
+143.95204	2926456
+144.45371	404718
+144.95053	3740158
+144.98312	149988	"Theoretical m/z 144.984503, Mass diff 0.001 (0 ppm), Formula C9H2Cl"
+145.45215	499794
+145.94902	2292808
+146.01428	513367
+146.45071	191196
+146.94757	885559
+147.02208	512252	"Theoretical m/z 147.023475, Mass diff 0.001 (0 ppm), Formula C12H3"
+148.02991	493855
+155.97516	184866
+156.98305	147141	"Theoretical m/z 156.984503, Mass diff 0.001 (0 ppm), Formula C10H2Cl"
+157.99078	159839
+160.93239	273129
+161.43646	176309
+161.93092	459357
+162.43512	376758
+162.9294	297491
+163.43349	222590
+168.94132	162283
+178.92053	396772
+179.9191	734850
+180.91768	685758	"Theoretical m/z 180.914536, Mass diff -0.004 (0 ppm), Formula C3H5Cl4"
+181.91618	228030
+181.99066	597332
+182.99857	735514	"Theoretical m/z 183.000153, Mass diff 0.001 (0 ppm), Formula C12H4Cl"
+183.98779	308570
+184.99558	226845
+207.03122	211758
+216.95952	367882	"Theoretical m/z 216.96118, Mass diff 0.001 (0 ppm), Formula C12H3Cl2"
+217.96726	3954508
+218.97055	707635
+219.96429	2509556
+220.96756	344486
+221.9613	426224
+251.92815	854654
+252.93632	816819
+253.92512	919382
+254.93333	786498
+255.92213	362700
+256.93018	246057
+287.90463	9688356
+288.90796	1368759
+289.90164	12921190
+290.90497	1697073
+291.89868	6107624
+292.90201	791015
+293.89572	1370379
+294.89923	160188
+322.87314	3665519
+323.87653	630104
+324.87021	5778557
+325.87329	776757
+326.86722	3824430
+327.87027	485730
+328.86423	1210790
+329.86746	152454
+330.86142	193983
+357.84189	7422704
+358.84528	923789
+359.83887	14454377
+360.84228	1803809
+361.83588	11352855
+362.8392	1425279
+363.83289	4761034
+364.83621	621972
+365.82977	1129959
+
+NAME: Praziquantel
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2970.6
+PRECURSORMZ: 312.18323
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H24N2O2
+INCHIKEY: FSVJFNAIGNNGKK-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 57
+77.0386	306266	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04646	248924	"Theoretical m/z 78.046403, Mass diff 0 (0.73 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05427	301814	"Theoretical m/z 79.054228, Mass diff 0 (0.53 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06993	224383	"Theoretical m/z 81.069878, Mass diff 0 (0.65 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.08555	799331	"Theoretical m/z 83.085529, Mass diff 0 (0.25 ppm), SMILES C1CCCCC1, Annotation [C6H12-H]+, Rule of HR True"
+89.03861	162379	"Theoretical m/z 89.038575, Mass diff 0 (0.39 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-3H]+, Rule of HR True"
+91.05429	389257	"Theoretical m/z 91.054226, Mass diff 0 (0.71 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+95.08558	113142	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+98.06013	135157	"Theoretical m/z 98.060037, Mass diff 0 (0.95 ppm), SMILES O=C(N(C)CC)C, Annotation [C5H11NO-3H]+, Rule of HR True"
+102.04642	150884	"Theoretical m/z 102.046398, Mass diff 0 (0.21 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05427	575612	"Theoretical m/z 103.054223, Mass diff 0 (0.45 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+104.0257	328376	"Theoretical m/z 104.026215, Mass diff 0 (0 ppm), Formula C7H4O"
+105.06995	638589	"Theoretical m/z 105.069873, Mass diff 0 (0.73 ppm), SMILES C=1C=CC(=CC=1)CC, Annotation [C8H10-H]+, Rule of HR True"
+109.10125	130421	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+110.07268	169156	"Theoretical m/z 110.072615, Mass diff 0 (0.59 ppm), SMILES O=CC1CCCCC1, Annotation [C7H12O-2H]+, Rule of HR False"
+113.04715	1041165
+114.05502	232706	"Theoretical m/z 114.054958, Mass diff 0 (0.54 ppm), SMILES O=CCN(C(=O)C)C, Annotation [C5H9NO2-H]+, Rule of HR True"
+115.05426	1493453	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06207	426222	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06988	1388419	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.07326	153042
+126.05501	327016	"Theoretical m/z 126.054956, Mass diff 0 (0.43 ppm), SMILES O=CCNC(=O)CCC, Annotation [C6H11NO2-3H]+, Rule of HR True"
+128.0621	492759	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06992	477826	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.0652	4778718	"Theoretical m/z 130.065118, Mass diff 0 (0.63 ppm), SMILES C1=CC=C2C(=C1)CNCC2, Annotation [C9H11N-3H]+, Rule of HR True"
+131.07301	1957533	"Theoretical m/z 131.072943, Mass diff 0 (0.51 ppm), SMILES C1=CC=C2C(=C1)CNCC2, Annotation [C9H11N-2H]+, Rule of HR False"
+132.0808	10760813	"Theoretical m/z 132.080768, Mass diff 0 (0.24 ppm), SMILES C1=CC=C2C(=C1)CNCC2, Annotation [C9H11N-H]+, Rule of HR True"
+133.08414	1115873
+143.073	219384	"Theoretical m/z 143.072949, Mass diff 0 (0.36 ppm), SMILES C1=CC=C2C(=C1)CCNC2C, Annotation [C10H13N-4H]+, Rule of HR False"
+144.0808	779176	"Theoretical m/z 144.080774, Mass diff 0 (0.18 ppm), SMILES C1=CC=C2C(=C1)CCNC2C, Annotation [C10H13N-3H]+, Rule of HR True"
+145.08859	3345752	"Theoretical m/z 145.088599, Mass diff 0 (0.06 ppm), SMILES C1=CC=C2C(=C1)CCNC2C, Annotation [C10H13N-2H]+, Rule of HR False"
+146.09639	3273618	"Theoretical m/z 146.096424, Mass diff 0 (0.23 ppm), SMILES C1=CC=C2C(=C1)CCNC2C, Annotation [C10H13N-H]+, Rule of HR True"
+147.09976	355619
+152.07065	134334	"Theoretical m/z 152.070602, Mass diff 0 (0.32 ppm), SMILES O=CCNC(=O)CCCCC, Annotation [C8H15NO2-5H]+, Rule of HR True"
+156.08072	219625	"Theoretical m/z 156.081324, Mass diff 0 (0 ppm), Formula C11H10N"
+157.08856	241701
+158.09638	108585	"Theoretical m/z 158.096974, Mass diff 0 (0 ppm), Formula C11H12N"
+159.09166	252700	"Theoretical m/z 159.091668, Mass diff 0 (0.05 ppm), SMILES NCC2NCCC1=CC=CC=C12, Annotation [C10H14N2-3H]+, Rule of HR True"
+171.09164	214971	"Theoretical m/z 171.091674, Mass diff 0 (0.2 ppm), SMILES C1=CC=C2C(=C1)CCNC2CNC, Annotation [C11H16N2-5H]+, Rule of HR True"
+172.0757	147916	"Theoretical m/z 172.075693, Mass diff 0 (0.04 ppm), SMILES O=CN2CCC1=CC=CC=C1C2C, Annotation [C11H13NO-3H]+, Rule of HR True"
+173.1073	1355909	"Theoretical m/z 173.107324, Mass diff 0 (0.14 ppm), SMILES C1=CC=C2C(=C1)CCNC2CNC, Annotation [C11H16N2-3H]+, Rule of HR True"
+174.09128	397045	"Theoretical m/z 174.091343, Mass diff 0 (0.36 ppm), SMILES O=CN2CCC1=CC=CC=C1C2C, Annotation [C11H13NO-H]+, Rule of HR True"
+181.10963	147936	"Theoretical m/z 181.109732, Mass diff 0 (0.56 ppm), SMILES O=CCN(C(=O)C1CCCCC1)C, Annotation [C10H17NO2-2H]+, Rule of HR False"
+184.09946	250159	"Theoretical m/z 184.100048, Mass diff 0 (0 ppm), Formula C12H12N2"
+185.08347	4654317	"Theoretical m/z 185.083508, Mass diff 0 (0.2 ppm), SMILES O=C(N2CCC1=CC=CC=C1C2C)C, Annotation [C12H15NO-4H]+, Rule of HR False"
+185.10722	394872	"Theoretical m/z 185.107873, Mass diff 0 (0 ppm), Formula C12H13N2"
+186.08687	658699
+187.08647	261804
+199.08656	173584	"Theoretical m/z 199.086593, Mass diff 0 (0.16 ppm), SMILES O=CN(C)CC2NCCC1=CC=CC=C12, Annotation [C12H16N2O-5H]+, Rule of HR True"
+200.09438	451643
+201.10217	6029831	"Theoretical m/z 201.102237, Mass diff 0 (0.33 ppm), SMILES O=C3N2CCC1=CC=CC=C1C2CNC3, Annotation [C12H14N2O-H]+, Rule of HR True"
+202.10545	1046476
+203.11789	130369	"Theoretical m/z 203.117887, Mass diff 0 (0.01 ppm), SMILES O=C3N2CCC1=CC=CC=C1C2CNC3, Annotation [C12H14N2O+H]+, Rule of HR True"
+207.03233	149223
+284.18842	311323
+312.18323	3172432	"Theoretical m/z 312.183228, Mass diff 0 (0.01 ppm), SMILES O=C4N2CCC1=CC=CC=C1C2CN(C(=O)C3CCCCC3)C4, Annotation [C19H24N2O2]+, Rule of HR False"
+313.1868	648690
+
+NAME: Mexacarbate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1812.3
+PRECURSORMZ: 222.13622
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H18N2O2
+INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 39
+77.03854	2256996	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05421	1074503	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+85.10116	653002	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+91.05421	4572119	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05756	523320
+93.06989	741400	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.06512	447481	"Theoretical m/z 94.065674, Mass diff 0 (0 ppm), Formula C6H8N"
+95.08551	453075	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+96.08073	636116	"Theoretical m/z 96.081324, Mass diff 0 (0 ppm), Formula C6H10N"
+103.0542	487933	"Theoretical m/z 103.054223, Mass diff 0 (0.23 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-3H]+, Rule of HR True"
+105.06988	1084494	"Theoretical m/z 105.069873, Mass diff 0 (0.06 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+106.06511	1437981	"Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N"
+107.04911	1355965	"Theoretical m/z 107.049141, Mass diff 0 (-0.29 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+117.06982	868669	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.06504	722312	"Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N"
+119.04913	889369	"Theoretical m/z 119.049142, Mass diff 0 (0.1 ppm), SMILES OC1=CC(=CC(=C1)C)C, Annotation [C8H10O-3H]+, Rule of HR True"
+120.08075	2193836	"Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N"
+121.06474	3190186	"Theoretical m/z 121.064792, Mass diff 0 (0.43 ppm), SMILES OC1=CC(=CC(=C1)C)C, Annotation [C8H10O-H]+, Rule of HR True"
+122.07254	3230159	"Theoretical m/z 122.072617, Mass diff 0 (0.63 ppm), SMILES OC1=CC(=CC(=C1)C)C, Annotation [C8H10O]+, Rule of HR False"
+123.08033	1330481	"Theoretical m/z 123.080442, Mass diff 0 (0.91 ppm), SMILES OC1=CC(=CC(=C1)C)C, Annotation [C8H10O+H]+, Rule of HR True"
+130.06511	455603	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+132.08075	957777	"Theoretical m/z 132.080774, Mass diff 0 (0.18 ppm), SMILES C=1C=CC(=C(C=1)N(C)C)C, Annotation [C9H13N-3H]+, Rule of HR True"
+133.0522	1745059	"Theoretical m/z 133.052764, Mass diff 0 (0 ppm), Formula C8H7NO"
+133.06476	3657723	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+134.07253	23412092	"Theoretical m/z 134.073165, Mass diff 0 (0 ppm), Formula C9H10O"
+135.08026	6512428	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+136.08376	695587
+136.112	1372176	"Theoretical m/z 136.112074, Mass diff 0 (0.54 ppm), SMILES C=1C=CC(=C(C=1)N(C)C)C, Annotation [C9H13N+H]+, Rule of HR True"
+148.07562	5302633	"Theoretical m/z 148.075693, Mass diff 0 (0.49 ppm), SMILES OC=1C=CC(=C(C=1)C)N(C)C, Annotation [C9H13NO-3H]+, Rule of HR True"
+149.08353	5961968
+150.09128	22707954	"Theoretical m/z 150.091343, Mass diff 0 (0.42 ppm), SMILES OC=1C=CC(=C(C=1)C)N(C)C, Annotation [C9H13NO-H]+, Rule of HR True"
+151.0946	2199419
+162.09129	521156	"Theoretical m/z 162.091889, Mass diff 0 (0 ppm), Formula C10H12NO"
+163.09904	435000	"Theoretical m/z 163.099158, Mass diff 0 (0.72 ppm), SMILES OC=1C=C(C(=C(C=1)C)N(C)C)C, Annotation [C10H15NO-2H]+, Rule of HR False"
+164.10704	26040832	"Theoretical m/z 164.106983, Mass diff 0 (0.35 ppm), SMILES OC=1C=C(C(=C(C=1)C)N(C)C)C, Annotation [C10H15NO-H]+, Rule of HR True"
+165.11468	40249436
+166.11803	4044604
+222.13622	3625702	"Theoretical m/z 222.136277, Mass diff 0 (0.26 ppm), SMILES O=C(OC=1C=C(C(=C(C=1)C)N(C)C)C)NC, Annotation [C12H18N2O2]+, Rule of HR False"
+223.13939	473880
+
+NAME: Aminocarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1743.2
+PRECURSORMZ: 208.12054
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H16N2O2
+INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C=CC(=C1)OC(=O)NC)N(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 29
+77.03853	2299018	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04638	517301	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05419	1578399	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.04943	408376	"Theoretical m/z 80.050024, Mass diff 0 (0 ppm), Formula C5H6N"
+85.10113	672437	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+91.05419	1870980	"Theoretical m/z 91.054226, Mass diff 0 (0.39 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.06199	770880	"Theoretical m/z 92.062051, Mass diff 0 (0.66 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8]+, Rule of HR False"
+105.06986	1435952	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.06509	1791946	"Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N"
+107.04909	2514591	"Theoretical m/z 107.049141, Mass diff 0 (-0.48 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05689	2878409	"Theoretical m/z 108.056969, Mass diff 0 (0.74 ppm), SMILES OC=1C=CC=C(C=1)C, Annotation [C7H8O]+, Rule of HR False"
+109.06476	1146806	"Theoretical m/z 109.064794, Mass diff 0 (0.32 ppm), SMILES OC=1C=CC=C(C=1)C, Annotation [C7H8O+H]+, Rule of HR True"
+116.04938	435358	"Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N"
+117.0698	461962	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.065	737164	"Theoretical m/z 118.065126, Mass diff 0 (1.07 ppm), SMILES C=1C=CC(=CC=1)N(C)C, Annotation [C8H11N-3H]+, Rule of HR True"
+119.0491	477771	"Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O"
+120.05689	14145035	"Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O"
+121.06467	4229872	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+122.07248	818544	"Theoretical m/z 122.073165, Mass diff 0 (0 ppm), Formula C8H10O"
+122.09629	2046439	"Theoretical m/z 122.096426, Mass diff 0 (1.11 ppm), SMILES C=1C=CC(=CC=1)N(C)C, Annotation [C8H11N+H]+, Rule of HR True"
+134.05995	5248198	"Theoretical m/z 134.060037, Mass diff 0 (0.65 ppm), SMILES OC=1C=CC(=CC=1)N(C)C, Annotation [C8H11NO-3H]+, Rule of HR True"
+135.06775	3613308
+136.07561	16628502	"Theoretical m/z 136.075687, Mass diff 0 (0.57 ppm), SMILES OC=1C=CC(=CC=1)N(C)C, Annotation [C8H11NO-H]+, Rule of HR True"
+137.07893	1526590
+148.07562	447273	"Theoretical m/z 148.076239, Mass diff 0 (0 ppm), Formula C9H10NO"
+150.09131	26359546	"Theoretical m/z 150.091343, Mass diff 0 (0.22 ppm), SMILES OC=1C=CC(=C(C=1)C)N(C)C, Annotation [C9H13NO-H]+, Rule of HR True"
+151.09895	38510900	"Theoretical m/z 151.099168, Mass diff 0 (1.44 ppm), SMILES OC=1C=CC(=C(C=1)C)N(C)C, Annotation [C9H13NO]+, Rule of HR False"
+152.1023	3591390
+208.12054	1972022	"Theoretical m/z 208.120637, Mass diff 0 (0.46 ppm), SMILES O=C(OC=1C=CC(=C(C=1)C)N(C)C)NC, Annotation [C11H16N2O2]+, Rule of HR False"
+
+NAME: Isocarbophos
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2005.3
+PRECURSORMZ: 289.05295
+PRECURSORTYPE: [M-CH3]+.
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H16NO4PS
+INCHIKEY: YFVOXLJXJBQDEF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 48
+78.01031	5214732	"Theoretical m/z 78.010326, Mass diff 0 (0.21 ppm), SMILES O(C)PN, Annotation [CH6NOP-H]+, Rule of HR True"
+91.05422	4254213	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.02562	36393208	"Theoretical m/z 92.025664, Mass diff 0 (0.48 ppm), SMILES OC=1C=CC=CC=1, Annotation [C6H6O-2H]+, Rule of HR False"
+93.0573	14421984	"Theoretical m/z 93.057849, Mass diff 0 (0 ppm), Formula C6H7N"
+94.0052	30840968	"Theoretical m/z 94.005245, Mass diff 0 (0.48 ppm), SMILES OP(OC)N, Annotation [CH6NO2P-H]+, Rule of HR True"
+96.00272	2287151
+105.03346	3354912	"Theoretical m/z 105.033489, Mass diff 0 (0.27 ppm), SMILES O=CC1=CC=CC=C1, Annotation [C7H6O-H]+, Rule of HR True"
+108.00273	7631312	"Theoretical m/z 108.003682, Mass diff 0 (0 ppm), Formula C2H7NPS"
+109.01061	2093309	"Theoretical m/z 109.011196, Mass diff 0 (0 ppm), Formula C6H5S"
+109.98236	32780570	"Theoretical m/z 109.982395, Mass diff 0 (0.32 ppm), SMILES O(C)P(N)=S, Annotation [CH6NOPS-H]+, Rule of HR True"
+112.01575	9285481	"Theoretical m/z 112.016044, Mass diff 0 (0 ppm), Formula C5H4O3"
+112.99972	53790416	"Theoretical m/z 113.00037, Mass diff 0 (0 ppm), Formula CH6O4P"
+120.02053	37482296	"Theoretical m/z 120.020583, Mass diff 0 (0.44 ppm), SMILES O=CC1=CC=CC=C1(O), Annotation [C7H6O2-2H]+, Rule of HR False"
+121.02829	87758640	"Theoretical m/z 121.028408, Mass diff 0 (0.97 ppm), SMILES O=CC1=CC=CC=C1(O), Annotation [C7H6O2-H]+, Rule of HR True"
+122.03161	6688576
+123.02611	3393207
+124.03402	2128562	"Theoretical m/z 124.034982, Mass diff 0 (0 ppm), Formula C3H11NPS"
+134.03619	2526474	"Theoretical m/z 134.036779, Mass diff 0 (0 ppm), Formula C8H6O2"
+135.04399	4254898	"Theoretical m/z 135.044604, Mass diff 0 (0 ppm), Formula C8H7O2"
+135.99767	157238864	"Theoretical m/z 135.998596, Mass diff 0 (0 ppm), Formula C3H7NOPS"
+136.02138	2704354	"Theoretical m/z 136.022095, Mass diff 0 (0 ppm), Formula C7H6NS"
+137.00095	15609689
+137.99338	11979811
+138.99416	2260751	"Theoretical m/z 138.994891, Mass diff 0 (0 ppm), Formula C6H4O2P"
+153.00038	2052355	"Theoretical m/z 152.997654, Mass diff -0.003 (0 ppm), Formula C10HO2"
+154.97136	5388923	"Theoretical m/z 154.972047, Mass diff 0 (0 ppm), Formula C6H4OPS"
+163.02112	3298688	"Theoretical m/z 163.021761, Mass diff 0 (0 ppm), Formula C9H7OS"
+166.00517	2546180	"Theoretical m/z 166.00579, Mass diff 0 (0 ppm), Formula C7H5NO2P"
+166.98921	2845802	"Theoretical m/z 166.989806, Mass diff 0 (0 ppm), Formula C7H4O3P"
+171.02045	3613610	"Theoretical m/z 171.021106, Mass diff 0 (0 ppm), Formula C7H8O3P"
+178.0446	6751136	"Theoretical m/z 178.045547, Mass diff 0 (0 ppm), Formula C6H13NOPS"
+183.97415	2176254
+186.98505	5099418	"Theoretical m/z 186.985144, Mass diff 0 (0.5 ppm), SMILES OP(OC=1C=CC=CC=1)(N)=S, Annotation [C6H8NO2PS-2H]+, Rule of HR False"
+196.01573	4177425	"Theoretical m/z 196.015802, Mass diff 0 (0.37 ppm), SMILES O=CC1=CC=CC=C1(OP(OC)N), Annotation [C8H10NO3P-3H]+, Rule of HR True"
+197.97723	10013309	"Theoretical m/z 197.977319, Mass diff 0 (0.45 ppm), SMILES O=CC1=CC=CC=C1(OP(N)=S), Annotation [C7H8NO2PS-3H]+, Rule of HR True"
+198.96115	2652325	"Theoretical m/z 198.961877, Mass diff 0 (0 ppm), Formula C7H4O3PS"
+202.00847	9140035	"Theoretical m/z 202.008609, Mass diff 0 (0.69 ppm), SMILES O(C=1C=CC=CC=1)P(OC)(N)=S, Annotation [C7H10NO2PS-H]+, Rule of HR True"
+203.01634	5934926	"Theoretical m/z 203.016434, Mass diff 0 (0.47 ppm), SMILES O(C=1C=CC=CC=1)P(OC)(N)=S, Annotation [C7H10NO2PS]+, Rule of HR False"
+211.99287	9614536	"Theoretical m/z 211.993511, Mass diff 0 (0 ppm), Formula C8H7NO2PS"
+213.98413	1639821	"Theoretical m/z 213.984808, Mass diff 0.001 (3.17 ppm), SMILES O=CC1=CC=CC=C1(OP(OC)=S), Annotation [C8H9O3PS-2H]+, Rule of HR False"
+214.02623	13187942	"Theoretical m/z 214.026371, Mass diff 0 (0.66 ppm), SMILES O=C(O)C1=CC=CC=C1(OP(OC)N), Annotation [C8H10NO4P-H]+, Rule of HR True"
+215.98784	4337286	"Theoretical m/z 215.987873, Mass diff 0 (0.15 ppm), SMILES O=CC1=CC=CC=C1(OP(O)(N)=S), Annotation [C7H8NO3PS-H]+, Rule of HR True"
+230.00348	42072808	"Theoretical m/z 230.003528, Mass diff 0 (0.21 ppm), SMILES O=CC1=CC=CC=C1(OP(OC)(N)=S), Annotation [C8H10NO3PS-H]+, Rule of HR True"
+230.98749	9693792	"Theoretical m/z 230.987552, Mass diff 0 (0.27 ppm), SMILES O=C(O)C1=CC=CC=C1(OP(OC)=S), Annotation [C8H9O4PS-H]+, Rule of HR True"
+231.99919	2519441
+247.00613	5584202
+272.02643	2857445
+289.05295	3449508
+
+NAME: Acephate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1464.3
+PRECURSORMZ: 182.05708
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C4H10NO3PS
+INCHIKEY: YASYVMFAVPKPKE-UHFFFAOYSA-N
+INCHI: 
+SMILES: O=C(NP(=O)(OC)SC)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 131
+68.37469	6942
+71.47649	3009
+78.04639	27401	"Theoretical m/z 78.047261, Mass diff 0 (0 ppm), Formula C2H9NP"
+78.99432	4555	"Theoretical m/z 78.994342, Mass diff 0 (0.28 ppm), SMILES O=POC, Annotation [CH5O2P-H]+, Rule of HR True"
+79.98956	3998	"Theoretical m/z 79.99014, Mass diff 0 (0 ppm), Formula H3NO2P"
+81.65372	3561
+82.07765	5870
+82.53803	3271
+85.02835	3255	"Theoretical m/z 85.028954, Mass diff 0 (0 ppm), Formula C4H5O2"
+88.05186	21035	"Theoretical m/z 88.052429, Mass diff 0 (0 ppm), Formula C4H8O2"
+94.00523	134050	"Theoretical m/z 94.005245, Mass diff 0 (0.16 ppm), SMILES O=P(OC)N, Annotation [CH6NO2P-H]+, Rule of HR True"
+94.04134	5393	"Theoretical m/z 94.042176, Mass diff 0 (0 ppm), Formula C2H9NOP"
+98.0362	21055	"Theoretical m/z 98.03709, Mass diff 0 (0 ppm), Formula CH9NO2P"
+98.10898	78842
+99.044	25921
+100.12011	5473
+109.59191	3227
+111.04404	8726
+111.39463	3191
+113.05955	8181
+115.03892	29381
+117.01846	39497
+124.07571	12517
+124.12459	20982
+130.07764	29051
+130.51472	2835
+132.05688	30207
+132.08891	6508
+134.99252	12331
+135.04394	21105
+136.01576	205447	"Theoretical m/z 136.015812, Mass diff 0 (0.38 ppm), SMILES O=C(NP(=O)OC)C, Annotation [C3H8NO3P-H]+, Rule of HR True"
+138.14018	5499
+141.98477	16543
+142.99255	5454	"Theoretical m/z 142.993177, Mass diff 0 (0 ppm), Formula C2H8O3PS"
+152.15608	11893
+158.07259	15663
+160.08823	24295
+161.05959	3708
+162.96973	11204
+163.07526	5301
+164.02306	9999
+165.16377	8555
+170.07239	17997
+172.088	16209
+178.9644	26622
+179.17937	2209
+180.94371	4698
+181.0855	27196
+182.05708	9055
+185.02654	23118
+186.09929	24439
+187.14807	22770
+189.02165	13972
+189.16365	12521
+192.98032	39396
+194.20273	14665
+196.12457	8487
+196.98477	26799
+197.09586	3828
+198.10394	5875
+199.11168	20675
+200.08293	9740
+201.09076	13427
+202.17146	10515
+203.00111	25279
+203.17928	5244
+204.18729	16099
+205.19516	7739
+206.10895	9751
+206.99586	2581
+208.07298	25457
+210.10371	20169
+213.09099	31516
+214.0938	8990
+217.10097	10515
+219.13791	16095
+224.91559	8507
+226.04193	14422
+226.09845	29797
+226.99541	44308
+227.07297	3374
+230.13023	11272
+233.15349	4546
+234.97266	23489
+238.96761	11725
+252.98306	56670
+253.10121	7087
+253.9826	9586
+256.95138	22642
+261.18533	3247
+263.00372	13026
+263.14304	3616
+267.99759	8666
+269.13803	3808
+269.97757	9658
+272.94638	6303
+273.00134	2142
+275.38849	5499
+280.95297	40577
+293.17438	4508
+295.93967	17410
+302.0148	46354
+303.05521	27978
+306.97589	18967
+308.95532	17497
+309.96316	4487
+314.92908	21846
+324.00705	6059
+331.9595	4153
+335.70178	3284
+346.9726	64040
+348.97022	13217
+356.07025	13593
+367.94931	17232
+376.03274	63554
+378.03088	14258
+380.99368	14587
+381.99554	9357
+386.98636	4838
+387.97067	14353
+397.0253	9067
+402.00226	55391
+440.44443	4210
+448.34985	17054
+449.26514	3716
+500.00211	3234
+500.17694	3382
+504.10809	31548
+509.47861	3341
+658.6416	3469
+725.18414	3356
+
+NAME: Carbaryl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1908
+PRECURSORMZ: 201.07829
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H11NO2
+INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
+INCHI: 
+SMILES: CNC(=O)OC1=CC=CC2=CC=CC=C21
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 12
+88.03073	2636757	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03854	14360774	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+113.03854	3685205	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.04642	3605950
+115.05421	118622360	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06193	97968256	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06527	9156961
+126.04632	3574706
+127.05414	2633766	"Theoretical m/z 127.054233, Mass diff 0 (0.73 ppm), SMILES C=1C=CC2=CC=CC=C2(C=1), Annotation [C10H8-H]+, Rule of HR True"
+143.04919	3213524	"Theoretical m/z 143.049137, Mass diff 0 (0.37 ppm), SMILES OC1=CC=CC2=CC=CC=C12, Annotation [C10H8O-H]+, Rule of HR True"
+144.0569	247253456
+145.06015	22681006
+
+NAME: Mevinphos
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1445.5
+PRECURSORMZ: 224.04439
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C7H13O6P
+INCHIKEY: GEPDYQSQVLXLEU-AATRIKPKSA-N
+INCHI: 
+SMILES: CC(=CC(=O)OC)OP(=O)(OC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 17
+67.05421	425784	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+69.06985	5211616	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+78.99433	1848670	"Theoretical m/z 78.994342, Mass diff 0 (0.16 ppm), SMILES O=POC, Annotation [CH5O2P-H]+, Rule of HR True"
+94.98918	502611	"Theoretical m/z 94.989261, Mass diff 0 (0.86 ppm), SMILES O=P(O)OC, Annotation [CH5O3P-H]+, Rule of HR True"
+95.997	397606
+109.00491	6053124	"Theoretical m/z 109.004909, Mass diff 0 (0.01 ppm), SMILES O=P(OC)OC, Annotation [C2H7O3P-H]+, Rule of HR True"
+112.12463	454927
+112.99974	1103614	"Theoretical m/z 112.999823, Mass diff 0 (0.73 ppm), SMILES O=P(O)(O)OC, Annotation [CH5O4P+H]+, Rule of HR True"
+125.13246	518233
+127.01539	38439912	"Theoretical m/z 127.01547, Mass diff 0 (0.63 ppm), SMILES O=P(O)(OC)OC, Annotation [C2H7O4P+H]+, Rule of HR True"
+128.01869	868659
+134.03618	627079
+141.03101	673716	"Theoretical m/z 141.031126, Mass diff 0 (0.82 ppm), SMILES O=P(OC)(OC)OC, Annotation [C3H9O4P+H]+, Rule of HR True"
+164.02321	10716375
+165.02669	732514
+192.0181	6424899
+193.02605	1207044	"Theoretical m/z 193.026035, Mass diff 0 (0.08 ppm), SMILES O=C(OC)C=C(OP(=O)OC)C, Annotation [C6H11O5P-H]+, Rule of HR True"
+
+NAME: Dicrotophos
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1656.1
+PRECURSORMZ: 237.07594
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H16NO5P
+INCHIKEY: VEENJGZXVHKXNB-VOTSOKGWSA-N
+INCHI: 
+SMILES: CC(=CC(=O)N(C)C)OP(=O)(OC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 27
+67.05421	1727909	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+68.04947	1172035	"Theoretical m/z 68.050024, Mass diff 0 (0 ppm), Formula C4H6N"
+71.08549	2505430	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+72.04433	656075	"Theoretical m/z 72.044388, Mass diff 0 (-0.8 ppm), SMILES CN(C)C#[O+], Annotation [C3H6NO]+, Rule of HR True"
+78.99432	906940	"Theoretical m/z 78.994342, Mass diff 0 (0.28 ppm), SMILES O=POC, Annotation [CH5O2P-H]+, Rule of HR True"
+79.0542	895491	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+82.07769	1204436	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08549	1898836	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+85.10114	4045532	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+96.09334	615181	"Theoretical m/z 96.0939, Mass diff 0 (0 ppm), Formula C7H12"
+99.11679	669625	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+109.00491	2427311	"Theoretical m/z 109.004909, Mass diff 0 (0.01 ppm), SMILES O=P(OC)OC, Annotation [C2H7O3P-H]+, Rule of HR True"
+110.06001	1410285	"Theoretical m/z 110.060589, Mass diff 0 (0 ppm), Formula C6H8NO"
+111.06783	1788293
+111.11679	1017554	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+112.99973	577237	"Theoretical m/z 112.999823, Mass diff 0 (0.82 ppm), SMILES O=P(O)(O)OC, Annotation [CH5O4P+H]+, Rule of HR True"
+125.08351	845557	"Theoretical m/z 125.084064, Mass diff 0 (0 ppm), Formula C7H11NO"
+127.01538	43503540	"Theoretical m/z 127.01547, Mass diff 0 (0.71 ppm), SMILES O=P(O)(OC)OC, Annotation [C2H7O4P+H]+, Rule of HR True"
+128.0619	1046550	"Theoretical m/z 128.062911, Mass diff 0 (0 ppm), Formula C6H11NP"
+164.02321	1708861
+165.06988	873701	"Theoretical m/z 165.068056, Mass diff -0.002 (0 ppm), Formula C6H14O3P"
+167.08548	932567	"Theoretical m/z 167.083706, Mass diff -0.002 (0 ppm), Formula C6H16O3P"
+182.10893	668507
+192.01811	1480400
+193.02605	1685136	"Theoretical m/z 193.026035, Mass diff 0 (0.08 ppm), SMILES O=CC=C(OP(=O)(OC)OC)C, Annotation [C6H11O5P-H]+, Rule of HR True"
+194.05762	1278393	"Theoretical m/z 194.057676, Mass diff 0 (0.29 ppm), SMILES O=C(C=C(OP(=O)OC)C)NC, Annotation [C6H12NO4P+H]+, Rule of HR True"
+237.07594	490452	"Theoretical m/z 237.076066, Mass diff 0 (0.53 ppm), SMILES O=C(C=C(OP(=O)(OC)OC)C)N(C)C, Annotation [C8H16NO5P]+, Rule of HR False"
+
+NAME: Monocrotophos
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1723.1
+PRECURSORMZ: 223.13278
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C7H14NO5P
+INCHIKEY: KRTSDMXIXPKRQR-AATRIKPKSA-N
+INCHI: 
+SMILES: CC(=CC(=O)NC)OP(=O)(OC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 85
+67.05419	49228	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+73.02837	26267	"Theoretical m/z 73.02841, Mass diff 0 (0.55 ppm), SMILES O=CC=CO, Annotation [C3H4O2+H]+, Rule of HR True"
+78.04639	15741	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+80.06201	18198	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+82.07767	81875	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+91.05418	122290	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.06199	20807	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06987	56522	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+96.04436	73932	"Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO"
+97.05219	110971
+99.04399	27805	"Theoretical m/z 99.044604, Mass diff 0 (0 ppm), Formula C5H7O2"
+101.05968	16434	"Theoretical m/z 101.059708, Mass diff 0 (-0.27 ppm), SMILES COC(=O)CC[CH2+], Annotation [C5H9O2]+, Rule of HR True"
+103.05415	20082
+104.06197	88355	"Theoretical m/z 104.062911, Mass diff 0 (0 ppm), Formula C4H11NP"
+105.06984	63462
+106.04128	70307	"Theoretical m/z 106.041865, Mass diff 0 (0 ppm), Formula C7H6O"
+108.05688	13235	"Theoretical m/z 108.057515, Mass diff 0 (0 ppm), Formula C7H8O"
+108.09328	22894	"Theoretical m/z 108.094211, Mass diff 0 (0 ppm), Formula C4H15NP"
+109.00489	109696	"Theoretical m/z 109.004909, Mass diff 0 (0.18 ppm), SMILES O=P(OC)OC, Annotation [C2H7O3P-H]+, Rule of HR True"
+110.07256	15066	"Theoretical m/z 110.073165, Mass diff 0 (0 ppm), Formula C7H10O"
+111.04401	33088	"Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2"
+112.9997	32862	"Theoretical m/z 112.999823, Mass diff 0 (1.08 ppm), SMILES O=P(O)(O)OC, Annotation [CH5O4P+H]+, Rule of HR True"
+114.06748	30039	"Theoretical m/z 114.06808, Mass diff 0 (0 ppm), Formula C6H10O2"
+119.08546	23558
+122.03612	13507	"Theoretical m/z 122.036779, Mass diff 0 (0 ppm), Formula C7H6O2"
+124.12457	17915
+125.05973	30433	"Theoretical m/z 125.060255, Mass diff 0 (0 ppm), Formula C7H9O2"
+127.01536	1265269	"Theoretical m/z 127.01547, Mass diff 0 (0.87 ppm), SMILES O=P(O)(OC)OC, Annotation [C2H7O4P+H]+, Rule of HR True"
+127.05401	21195	"Theoretical m/z 127.052406, Mass diff -0.002 (0 ppm), Formula C3H12O3P"
+129.06972	69501
+130.07761	75283	"Theoretical m/z 130.078561, Mass diff 0 (0 ppm), Formula C6H13NP"
+134.03607	33679	"Theoretical m/z 134.03709, Mass diff 0 (0 ppm), Formula C4H9NO2P"
+134.07246	24332	"Theoretical m/z 134.073476, Mass diff 0 (0 ppm), Formula C5H13NOP"
+136.08363	15540
+137.05969	30752
+137.13237	44549
+138.14027	31777
+139.07521	29482
+146.0725	42901	"Theoretical m/z 146.073476, Mass diff 0 (0 ppm), Formula C6H13NOP"
+149.02324	30581
+149.09602	24431
+150.04623	32559
+150.09946	27393
+151.07529	18465
+152.06189	34098
+153.06969	13513	"Theoretical m/z 153.068056, Mass diff -0.002 (0 ppm), Formula C5H14O3P"
+154.06223	12898	"Theoretical m/z 154.063305, Mass diff 0.001 (0 ppm), Formula C4H13NO3P"
+160.08821	28830	"Theoretical m/z 160.089126, Mass diff 0 (0 ppm), Formula C7H15NOP"
+164.02316	177965
+164.15614	14654
+165.06984	50350	"Theoretical m/z 165.068056, Mass diff -0.002 (0 ppm), Formula C6H14O3P"
+165.1637	16665
+169.10107	30360
+170.07246	31938
+177.09082	14168
+179.08543	41214
+180.07764	51993	"Theoretical m/z 180.078955, Mass diff 0.001 (0 ppm), Formula C6H15NO3P"
+180.0932	44332
+181.08562	36703
+183.08041	28782
+185.09599	98717
+186.95845	32973
+187.14784	16675
+192.01807	131727
+193.02603	100581	"Theoretical m/z 193.026035, Mass diff 0 (0.03 ppm), SMILES O=CC=C(OP(=O)(OC)OC)C, Annotation [C6H11O5P-H]+, Rule of HR True"
+194.10896	18315
+195.11684	46706
+196.1246	25224
+198.10376	16249
+200.10394	48939
+207.11688	12674
+208.07297	39216	"Theoretical m/z 208.07387, Mass diff 0 (0 ppm), Formula C7H15NO4P"
+208.12468	32781
+212.08304	20373
+212.1559	15560
+213.09097	14215
+213.16377	17070
+218.98486	21193
+221.09593	22877
+221.13252	13403
+223.13278	17315
+226.09885	22507
+244.21846	17079
+246.23415	13995
+342.01846	14924
+
+NAME: Dimethoate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1702.2
+PRECURSORMZ: 228.99893
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C5H12NO3PS2
+INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
+INCHI: 
+SMILES: CNC(=O)CSP(=S)(OC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 33
+69.06982	1538937	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+70.07768	532530	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+77.03852	314486
+78.9943	6076470	"Theoretical m/z 78.994891, Mass diff 0 (0 ppm), Formula CH4O2P"
+86.00585	3140084	"Theoretical m/z 86.006445, Mass diff 0 (0 ppm), Formula C3H4NS"
+87.01368	24095090
+88.01703	2435124
+89.00945	1482047
+91.0542	569001
+92.02595	1210720	"Theoretical m/z 92.026525, Mass diff 0 (0 ppm), Formula C2H7NOP"
+93.00996	9839753	"Theoretical m/z 93.00999, Mass diff 0 (0.33 ppm), SMILES O(C)POC, Annotation [C2H7O2P-H]+, Rule of HR True"
+94.01329	748083
+94.97143	623775	"Theoretical m/z 94.9715, Mass diff 0 (0.74 ppm), SMILES O(C)P=S, Annotation [CH5OPS-H]+, Rule of HR True"
+95.08546	462474
+95.92509	475123
+104.06197	1097844	"Theoretical m/z 104.062911, Mass diff 0 (0 ppm), Formula C4H11NP"
+105.06983	273718
+110.96635	1009603	"Theoretical m/z 110.966411, Mass diff 0 (0.55 ppm), SMILES OP(OC)=S, Annotation [CH5O2PS-H]+, Rule of HR True"
+118.98569	258120	"Theoretical m/z 118.983661, Mass diff -0.003 (0 ppm), Formula H7O3S2"
+119.99357	458126	"Theoretical m/z 119.994166, Mass diff 0 (0 ppm), Formula C3H6NS2"
+123.998	1503707	"Theoretical m/z 123.998596, Mass diff 0 (0 ppm), Formula C2H7NOPS"
+124.98197	21904680	"Theoretical m/z 124.982067, Mass diff 0 (0.77 ppm), SMILES O(C)P(OC)=S, Annotation [C2H7O2PS-H]+, Rule of HR True"
+125.9853	1050509
+126.97772	1392736
+140.97685	398803	"Theoretical m/z 140.977527, Mass diff 0 (0 ppm), Formula C2H6O3PS"
+142.99255	5635614	"Theoretical m/z 142.993177, Mass diff 0 (0 ppm), Formula C2H8O3PS"
+155.96997	466212	"Theoretical m/z 155.970667, Mass diff 0 (0 ppm), Formula C2H7NOPS2"
+156.95406	1073737	"Theoretical m/z 156.954136, Mass diff 0 (0.48 ppm), SMILES O(C)P(OC)(=S)S, Annotation [C2H7O2PS2-H]+, Rule of HR True"
+158.96965	572437	"Theoretical m/z 158.969786, Mass diff 0 (0.85 ppm), SMILES O(C)P(OC)(=S)S, Annotation [C2H7O2PS2+H]+, Rule of HR True"
+169.96185	330951
+170.96965	661583	"Theoretical m/z 170.969791, Mass diff 0 (0.82 ppm), SMILES O(C)P(OC)(=S)SC, Annotation [C3H9O2PS2-H]+, Rule of HR True"
+173.95683	408590	"Theoretical m/z 173.960103, Mass diff 0.003 (0 ppm), Formula C5H5NPS2"
+197.98054	271846	"Theoretical m/z 197.980686, Mass diff 0 (0.74 ppm), SMILES O=C(NC)CSP(OC)=S, Annotation [C4H10NO2PS2-H]+, Rule of HR True"
+
+NAME: Dimethomorph _isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3077
+PRECURSORMZ: 387.12283
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H22ClNO4
+INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 51
+125.01514	1350192	"Theoretical m/z 125.015255, Mass diff 0 (0.92 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.04628	788521
+137.05957	1613615	"Theoretical m/z 137.059711, Mass diff 0 (1.03 ppm), SMILES O(C=1C=CC=CC=1(OC))C, Annotation [C8H10O2-H]+, Rule of HR True"
+138.06741	980740	"Theoretical m/z 138.067536, Mass diff 0 (0.91 ppm), SMILES O(C=1C=CC=CC=1(OC))C, Annotation [C8H10O2]+, Rule of HR False"
+138.9944	4611578	"Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO"
+140.99141	1398446
+150.04625	1391377
+151.05411	2024990	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06192	6730367
+153.06548	1097766
+163.05402	2034075	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06184	1956095
+165.05456	35782468	"Theoretical m/z 165.054626, Mass diff 0 (-0.4 ppm), SMILES COC1=C(OC)C=C(C=C1)[C+]=O, Annotation [C9H9O3]+, Rule of HR True"
+166.05785	4481184
+167.0854	881314	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+176.0619	2900950	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+177.06981	1169224	"Theoretical m/z 177.070425, Mass diff 0 (0 ppm), Formula C14H9"
+178.07753	1588940	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08525	910012	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.05667	860058	"Theoretical m/z 180.058002, Mass diff 0.001 (0 ppm), Formula C10H11ClN"
+186.02306	815066
+194.07252	1405490	"Theoretical m/z 194.073165, Mass diff 0 (0 ppm), Formula C14H10O"
+195.08034	1436444	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+199.03073	2708149	"Theoretical m/z 199.031453, Mass diff 0 (0 ppm), Formula C13H8Cl"
+201.02772	1120852
+215.02574	2026608	"Theoretical m/z 215.026368, Mass diff 0 (0 ppm), Formula C13H8ClO"
+223.07521	1407460	"Theoretical m/z 223.075837, Mass diff 0.001 (2.81 ppm), SMILES O=C(C=CC1=CC=C(C=C1)Cl)N(C)CC, Annotation [C12H14ClNO]+, Rule of HR False"
+227.02576	2004575	"Theoretical m/z 227.026368, Mass diff 0 (0 ppm), Formula C14H8ClO"
+229.04158	1335505	"Theoretical m/z 229.041467, Mass diff 0 (0.49 ppm), SMILES O(C1=CC=CC(=C1)CC2=CC=C(C=C2)Cl)C, Annotation [C14H13ClO-3H]+, Rule of HR True"
+238.09845	1116276	"Theoretical m/z 238.099317, Mass diff 0.001 (3.64 ppm), SMILES O=C(C=CC1=CC=C(C=C1)Cl)N(CC)CC, Annotation [C13H16ClNO+H]+, Rule of HR True"
+242.04921	2800366	"Theoretical m/z 242.049292, Mass diff 0 (0.34 ppm), SMILES O(C1=CC=CC(=C1)C(=C)C2=CC=C(C=C2)Cl)C, Annotation [C15H13ClO-2H]+, Rule of HR False"
+243.02063	2339473	"Theoretical m/z 243.021282, Mass diff 0 (0 ppm), Formula C14H8ClO2"
+244.04631	1154023
+257.03613	1080573	"Theoretical m/z 257.036371, Mass diff 0 (0.94 ppm), SMILES OC=1C=CC(=CC=1(OC))C(=C)C2=CC=C(C=C2)Cl, Annotation [C15H13ClO2-3H]+, Rule of HR True"
+258.04419	2756274
+260.04108	941706
+266.09354	796592	"Theoretical m/z 266.093756, Mass diff 0 (0.81 ppm), SMILES O=CC=C(C1=CC=CC=C1)C=2C=CC(OC)=C(OC)C=2, Annotation [C17H16O3-2H]+, Rule of HR False"
+271.05179	1758896	"Theoretical m/z 271.052021, Mass diff 0 (0.85 ppm), SMILES O=CC=C(C1=CC=C(C=C1)Cl)C=2C=CC=C(OC)C=2, Annotation [C16H13ClO2-H]+, Rule of HR True"
+273.06732	3236112	"Theoretical m/z 273.067676, Mass diff 0 (1.3 ppm), SMILES O(C=1C=CC(=CC=1(OC))C(=C)C2=CC=C(C=C2)Cl)C, Annotation [C16H15ClO2-H]+, Rule of HR True"
+274.07541	4878959
+275.06454	1715853	"Theoretical m/z 275.062753, Mass diff -0.002 (0 ppm), Formula C19H12Cl"
+276.07266	1704350
+300.05457	822164	"Theoretical m/z 300.054785, Mass diff 0 (0.72 ppm), SMILES O=CC=C(C1=CC=C(C=C1)Cl)C=2C=CC(OC)=C(OC)C=2, Annotation [C17H15ClO3-2H]+, Rule of HR False"
+301.06244	78228112	"Theoretical m/z 301.06261, Mass diff 0 (0.57 ppm), SMILES O=CC=C(C1=CC=C(C=C1)Cl)C=2C=CC(OC)=C(OC)C=2, Annotation [C17H15ClO3-H]+, Rule of HR True"
+302.06537	13606061
+303.05945	25253222	"Theoretical m/z 303.057668, Mass diff -0.002 (0 ppm), Formula C20H12ClO"
+304.06232	4233758
+387.12283	16370290	"Theoretical m/z 387.1232, Mass diff 0 (0.96 ppm), SMILES O=C(C=C(C1=CC=C(C=C1)Cl)C=2C=CC(OC)=C(OC)C=2)N3CCOCC3, Annotation [C21H22ClNO4]+, Rule of HR False"
+388.12616	3870246
+389.11948	4905328
+390.12308	1135308
+
+NAME: Dimethomorph_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3111.3
+PRECURSORMZ: 387.12283
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H22ClNO4
+INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 49
+125.01522	652061	"Theoretical m/z 125.015255, Mass diff 0 (0.28 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.0675	423070	"Theoretical m/z 126.06808, Mass diff 0 (0 ppm), Formula C7H10O2"
+137.05955	700896	"Theoretical m/z 137.059711, Mass diff 0 (1.18 ppm), SMILES O(C=1C=CC=CC=1(OC))C, Annotation [C8H10O2-H]+, Rule of HR True"
+138.06744	523169	"Theoretical m/z 138.067536, Mass diff 0 (0.7 ppm), SMILES O(C=1C=CC=CC=1(OC))C, Annotation [C8H10O2]+, Rule of HR False"
+138.99443	2176390	"Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO"
+140.99138	688569
+150.0464	673372
+151.05411	1135329	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06194	3246111
+153.06535	638994
+163.05417	1088244	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06172	1065502
+165.0546	17465114	"Theoretical m/z 165.054626, Mass diff 0 (-0.16 ppm), SMILES COC1=C(OC)C=C(C=C1)[C+]=O, Annotation [C9H9O3]+, Rule of HR True"
+166.05789	2289232
+176.06198	1430137	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+177.06979	620255	"Theoretical m/z 177.070425, Mass diff 0 (0 ppm), Formula C14H9"
+178.07753	746013	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+181.06468	401239	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+186.02293	411701
+194.07245	746675	"Theoretical m/z 194.073165, Mass diff 0 (0 ppm), Formula C14H10O"
+195.08025	768616	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+199.03072	1338492	"Theoretical m/z 199.031453, Mass diff 0 (0 ppm), Formula C13H8Cl"
+201.02788	494355	"Theoretical m/z 201.031847, Mass diff 0.003 (0 ppm), Formula C9H10ClO3"
+215.0256	1028607	"Theoretical m/z 215.026368, Mass diff 0 (0 ppm), Formula C13H8ClO"
+223.07529	708686	"Theoretical m/z 223.075837, Mass diff 0.001 (2.45 ppm), SMILES O=C(C=CC1=CC=C(C=C1)Cl)N(C)CC, Annotation [C12H14ClNO]+, Rule of HR False"
+227.02615	815681	"Theoretical m/z 227.026368, Mass diff 0 (0 ppm), Formula C14H8ClO"
+229.04131	699033	"Theoretical m/z 229.041467, Mass diff 0 (0.69 ppm), SMILES O(C1=CC=CC(=C1)CC2=CC=C(C=C2)Cl)C, Annotation [C14H13ClO-3H]+, Rule of HR True"
+238.09874	650502	"Theoretical m/z 238.099317, Mass diff 0.001 (2.43 ppm), SMILES O=C(C=CC1=CC=C(C=C1)Cl)N(CC)CC, Annotation [C13H16ClNO+H]+, Rule of HR True"
+242.04901	1396124	"Theoretical m/z 242.049292, Mass diff 0 (1.17 ppm), SMILES O(C1=CC=CC(=C1)C(=C)C2=CC=C(C=C2)Cl)C, Annotation [C15H13ClO-2H]+, Rule of HR False"
+243.02063	1115634	"Theoretical m/z 243.021282, Mass diff 0 (0 ppm), Formula C14H8ClO2"
+244.04605	502433
+257.03619	496376	"Theoretical m/z 257.036371, Mass diff 0 (0.7 ppm), SMILES OC=1C=CC(=CC=1(OC))C(=C)C2=CC=C(C=C2)Cl, Annotation [C15H13ClO2-3H]+, Rule of HR True"
+258.0444	1358455
+260.04141	420894
+266.09329	441242	"Theoretical m/z 266.093756, Mass diff 0 (1.75 ppm), SMILES O=CC=C(C1=CC=CC=C1)C=2C=CC(OC)=C(OC)C=2, Annotation [C17H16O3-2H]+, Rule of HR False"
+271.05188	788929	"Theoretical m/z 271.052021, Mass diff 0 (0.52 ppm), SMILES O=CC=C(C1=CC=C(C=C1)Cl)C=2C=CC=C(OC)C=2, Annotation [C16H13ClO2-H]+, Rule of HR True"
+273.06735	1622822	"Theoretical m/z 273.067676, Mass diff 0 (1.19 ppm), SMILES O(C=1C=CC(=CC=1(OC))C(=C)C2=CC=C(C=C2)Cl)C, Annotation [C16H15ClO2-H]+, Rule of HR True"
+274.07544	2543247
+275.07855	901029
+276.07278	767612
+300.05466	388454	"Theoretical m/z 300.054785, Mass diff 0 (0.42 ppm), SMILES O=CC=C(C1=CC=C(C=C1)Cl)C=2C=CC(OC)=C(OC)C=2, Annotation [C17H15ClO3-2H]+, Rule of HR False"
+301.06247	38493372	"Theoretical m/z 301.06261, Mass diff 0 (0.47 ppm), SMILES O=CC=C(C1=CC=C(C=C1)Cl)C=2C=CC(OC)=C(OC)C=2, Annotation [C17H15ClO3-H]+, Rule of HR True"
+302.06531	6770462
+303.05942	12532743	"Theoretical m/z 303.057668, Mass diff -0.002 (0 ppm), Formula C20H12ClO"
+304.06232	1958636
+387.12283	8155075	"Theoretical m/z 387.1232, Mass diff 0 (0.96 ppm), SMILES O=C(C=C(C1=CC=C(C=C1)Cl)C=2C=CC(OC)=C(OC)C=2)N3CCOCC3, Annotation [C21H22ClNO4]+, Rule of HR False"
+388.12631	1818413
+389.11948	2506720
+390.12341	613246
+
+NAME: Vamidothion
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2125.3
+PRECURSORMZ: 285.00922
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H18NO4PS2
+INCHIKEY: LESVOLZBIFDZGS-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C(=O)NC)SCCSP(=O)(OC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 36
+78.99432	1761499	"Theoretical m/z 78.994342, Mass diff 0 (0.28 ppm), SMILES O=POC, Annotation [CH5O2P-H]+, Rule of HR True"
+82.07767	91730	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+85.01063	676909	"Theoretical m/z 85.011196, Mass diff 0 (0 ppm), Formula C4H5S"
+86.05999	590415	"Theoretical m/z 86.060039, Mass diff 0 (0.57 ppm), SMILES O=C(NC)CC, Annotation [C4H9NO-H]+, Rule of HR True"
+87.02628	2042941	"Theoretical m/z 87.0263, Mass diff 0 (0.23 ppm), SMILES CCSCC, Annotation [C4H10S-3H]+, Rule of HR True"
+87.06783	8802697
+88.03408	1194355	"Theoretical m/z 88.034125, Mass diff 0 (0.51 ppm), SMILES CCSCC, Annotation [C4H10S-2H]+, Rule of HR False"
+89.03854	88369
+92.98274	94574	"Theoretical m/z 92.982715, Mass diff 0 (0.27 ppm), SMILES C(CS)S, Annotation [C2H6S2-H]+, Rule of HR True"
+93.0573	92966	"Theoretical m/z 93.057849, Mass diff 0 (0 ppm), Formula C6H7N"
+104.06198	103789	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+104.98264	105190	"Theoretical m/z 104.983267, Mass diff 0 (0 ppm), Formula C3H5S2"
+105.06985	133580	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+109.0049	989636	"Theoretical m/z 109.004909, Mass diff 0 (0.08 ppm), SMILES O=P(OC)OC, Annotation [C2H7O3P-H]+, Rule of HR True"
+110.96635	238325	"Theoretical m/z 110.966411, Mass diff 0 (0.55 ppm), SMILES O=P(OC)S, Annotation [CH5O2PS-H]+, Rule of HR True"
+111.97417	837553
+112.07562	745115	"Theoretical m/z 112.076239, Mass diff 0 (0 ppm), Formula C6H10NO"
+114.01337	114046	"Theoretical m/z 114.013386, Mass diff 0 (0.14 ppm), SMILES O=CC(C)SCC, Annotation [C5H10OS-4H]+, Rule of HR False"
+114.05493	103956	"Theoretical m/z 114.055503, Mass diff 0 (0 ppm), Formula C5H8NO2"
+114.06748	100398	"Theoretical m/z 114.06808, Mass diff 0 (0 ppm), Formula C6H10O2"
+117.06978	374876
+118.07758	228037	"Theoretical m/z 118.078561, Mass diff 0 (0 ppm), Formula C5H13NP"
+119.03986	381735
+119.08547	379991
+124.98201	1690348	"Theoretical m/z 124.982067, Mass diff 0 (0.45 ppm), SMILES O=P(OC)SC, Annotation [C2H7O2PS-H]+, Rule of HR True"
+126.06738	99661	"Theoretical m/z 126.06808, Mass diff 0 (0 ppm), Formula C7H10O2"
+127.01539	792539	"Theoretical m/z 127.01602, Mass diff 0 (0 ppm), Formula C2H8O4P"
+141.98479	1135769	"Theoretical m/z 141.984803, Mass diff 0 (0.09 ppm), SMILES O=P(OC)(OC)S, Annotation [C2H7O3PS]+, Rule of HR False"
+142.99257	1024330	"Theoretical m/z 142.992628, Mass diff 0 (0.41 ppm), SMILES O=P(OC)(OC)S, Annotation [C2H7O3PS+H]+, Rule of HR True"
+145.05551	1115136	"Theoretical m/z 145.055579, Mass diff 0 (0.47 ppm), SMILES O=C(NC)C(C)SCC, Annotation [C6H13NOS-2H]+, Rule of HR False"
+146.06331	651452	"Theoretical m/z 146.063404, Mass diff 0 (0.64 ppm), SMILES O=C(NC)C(C)SCC, Annotation [C6H13NOS-H]+, Rule of HR True"
+146.07248	533679	"Theoretical m/z 146.073476, Mass diff 0 (0 ppm), Formula C6H13NOP"
+147.08031	118499
+164.06226	729582
+169.00821	624801	"Theoretical m/z 169.008274, Mass diff 0 (0.38 ppm), SMILES O=P(OC)(OC)SCC, Annotation [C4H11O3PS-H]+, Rule of HR True"
+205.10124	811171
+
+NAME: Temephos
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3218.5
+PRECURSORMZ: 465.9894
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H20O6P2S3
+INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
+INCHI: 
+SMILES: COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 62
+71.08549	1134488	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+78.99432	19245276	"Theoretical m/z 78.994891, Mass diff 0 (0 ppm), Formula CH4O2P"
+93.01	31096338	"Theoretical m/z 93.00999, Mass diff 0 (0.1 ppm), SMILES O(C)POC, Annotation [C2H7O2P-H]+, Rule of HR True"
+109.00489	11284398	"Theoretical m/z 109.004909, Mass diff 0 (0.18 ppm), SMILES OP(OC)OC, Annotation [C2H7O3P-H]+, Rule of HR True"
+115.05416	2087454	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+124.98201	34245616	"Theoretical m/z 124.982067, Mass diff 0 (0.45 ppm), SMILES O(C)P(OC)=S, Annotation [C2H7O2PS-H]+, Rule of HR True"
+127.01538	7815340	"Theoretical m/z 127.01602, Mass diff 0 (0 ppm), Formula C2H8O4P"
+139.05409	1904900	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+142.99257	2523948	"Theoretical m/z 142.992628, Mass diff 0 (0.41 ppm), SMILES OP(OC)(OC)=S, Annotation [C2H7O3PS+H]+, Rule of HR True"
+159.02624	1734681	"Theoretical m/z 159.029348, Mass diff 0.003 (0 ppm), Formula C6H7O5"
+160.03403	2117910	"Theoretical m/z 160.037173, Mass diff 0.003 (0 ppm), Formula C6H8O5"
+171.02618	13190364	"Theoretical m/z 171.029348, Mass diff 0.003 (0 ppm), Formula C7H7O5"
+172.03401	4382790
+172.97632	2263556	"Theoretical m/z 172.976872, Mass diff 0 (0 ppm), Formula C2H7O5P2"
+184.0341	3457104
+187.02106	1844564	"Theoretical m/z 187.021761, Mass diff 0 (0 ppm), Formula C11H7OS"
+197.04187	1248173
+198.04971	1467928
+199.02113	1675402	"Theoretical m/z 199.021219, Mass diff 0 (0.45 ppm), SMILES OC1=CC=C(C=C1)SC2=CC=CC=C2, Annotation [C12H10OS-3H]+, Rule of HR True"
+200.02895	4360889	"Theoretical m/z 200.029044, Mass diff 0 (0.47 ppm), SMILES OC1=CC=C(C=C1)SC2=CC=CC=C2, Annotation [C12H10OS-2H]+, Rule of HR False"
+201.03227	1047456
+202.98679	43912040	"Theoretical m/z 202.987436, Mass diff 0 (0 ppm), Formula C3H9O6P2"
+204.00621	4256360
+213.99046	1466764
+214.99835	4551360	"Theoretical m/z 214.998917, Mass diff 0 (0 ppm), Formula C12H7S2"
+215.05222	1192980	"Theoretical m/z 215.053061, Mass diff 0 (0 ppm), Formula C13H11OS"
+216.00618	3289755
+217.00934	1847081
+229.01413	1667159	"Theoretical m/z 229.014567, Mass diff 0 (0 ppm), Formula C13H9S2"
+230.02211	1571232
+230.99327	8252241	"Theoretical m/z 230.993832, Mass diff 0 (0 ppm), Formula C12H7OS2"
+232.00159	2385103
+232.94922	1159279	"Theoretical m/z 232.949045, Mass diff 0 (0.75 ppm), SMILES OP(OC1=CC=C(C=C1)S)(OC)=S, Annotation [C7H9O3PS2-3H]+, Rule of HR True"
+246.97047	3110613	"Theoretical m/z 246.970988, Mass diff 0 (0 ppm), Formula C12H7S3"
+247.97878	1280569	"Theoretical m/z 247.974573, Mass diff -0.005 (0 ppm), Formula C14O5"
+248.98634	2284304	"Theoretical m/z 248.987042, Mass diff 0 (0 ppm), Formula C11H7O3P2"
+261.9938	1198199
+263.00101	1816280	"Theoretical m/z 263.001419, Mass diff 0 (0 ppm), Formula C12H7O5S"
+313.01123	1525286	"Theoretical m/z 313.01164, Mass diff 0 (1.31 ppm), SMILES OC1=CC=C(C=C1)SC2=CC=C(OP(OC)=S)C=C2, Annotation [C13H13O3PS2+H]+, Rule of HR True"
+324.00372	1106542
+325.0115	9459432	"Theoretical m/z 325.011646, Mass diff 0 (0.45 ppm), SMILES O(C1=CC=C(C=C1)SC2=CC=CC=C2)P(OC)(OC)=S, Annotation [C14H15O3PS2-H]+, Rule of HR True"
+326.01498	1793476
+339.02731	12351849	"Theoretical m/z 339.027848, Mass diff 0 (0 ppm), Formula C15H16O3PS2"
+340.03055	2925875
+341.00662	7417888	"Theoretical m/z 341.00658, Mass diff 0 (0.12 ppm), SMILES OC1=CC=C(C=C1)SC2=CC=C(OP(OC)(OC)=S)C=C2, Annotation [C14H15O4PS2-H]+, Rule of HR True"
+355.97577	3098156
+356.02982	4465612
+356.98331	6399825	"Theoretical m/z 356.984269, Mass diff 0 (0 ppm), Formula C14H14O3PS3"
+357.03336	4822816	"Theoretical m/z 357.03017, Mass diff -0.004 (0 ppm), Formula C15H19O2P2S2"
+357.98795	1529462
+372.00711	14221524
+373.01022	2306639
+374.00241	1735355
+402.04495	2828595
+402.99887	1124296	"Theoretical m/z 402.998706, Mass diff 0 (0.41 ppm), SMILES O(C1=CC=C(C=C1)SC2=CC=C(OP(OC)(OC)=S)C=C2)POC, Annotation [C15H18O5P2S2-H]+, Rule of HR True"
+433.00888	1921758	"Theoretical m/z 433.009296, Mass diff 0 (0.96 ppm), SMILES O(C1=CC=C(C=C1)SC2=CC=C(OP(OC)(OC)=S)C=C2)P(OC)OC, Annotation [C16H20O6P2S2-H]+, Rule of HR True"
+434.01706	7245184
+435.02029	2128642
+465.98938	104399360	"Theoretical m/z 465.989167, Mass diff 0 (0.46 ppm), SMILES O(C1=CC=C(C=C1)SC2=CC=C(OP(OC)(OC)=S)C=C2)P(OC)(OC)=S, Annotation [C16H20O6P2S3]+, Rule of HR False"
+466.99246	19230388
+467.98376	12487823
+468.98767	2450167
+
+NAME: Methomyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1568.5
+PRECURSORMZ: 162.09949
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C5H10N2O2S
+INCHIKEY: UHXUZOCRWCRNSJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(=NOC(=O)NC)SC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 110
+73.02837	16903	"Theoretical m/z 73.028954, Mass diff 0 (0 ppm), Formula C3H5O2"
+76.03072	10458
+77.03852	55828
+79.04975	9290	"Theoretical m/z 79.050752, Mass diff 0 (0 ppm), Formula CH7N2O2"
+80.06199	26028
+85.02839	39961	"Theoretical m/z 85.028954, Mass diff 0 (0 ppm), Formula C4H5O2"
+86.03612	19040	"Theoretical m/z 86.036779, Mass diff 0 (0 ppm), Formula C4H6O2"
+87.06782	13790
+88.02151	891636	"Theoretical m/z 88.021549, Mass diff 0 (0.44 ppm), SMILES N=C(C)SC, Annotation [C3H7NS-H]+, Rule of HR True"
+88.05184	23965	"Theoretical m/z 88.052429, Mass diff 0 (0 ppm), Formula C4H8O2"
+89.03852	58366
+90.04639	36426
+95.04911	12836
+96.04435	12292	"Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO"
+96.05692	12003
+97.0648	30023
+102.04636	14828
+104.06197	10082
+105.02425	457739
+105.06984	231677
+106.04126	14948
+115.03893	44487
+115.05416	110491	"Theoretical m/z 115.054124, Mass diff -0.001 (0 ppm), Formula CH11N2O2S"
+118.07757	27282
+120.09324	13559
+123.1167	13288
+124.0518	9471
+126.06743	26437
+127.05403	21356	"Theoretical m/z 127.054124, Mass diff 0 (0 ppm), Formula C2H11N2O2S"
+128.06192	77271
+129.06975	239503
+130.07762	33011
+131.04901	20150
+132.09323	16869
+134.03607	11341
+134.99275	13054
+135.08029	23792
+136.08372	16033
+137.13235	10747
+140.05753	10718
+142.07762	12961
+144.09322	54131
+145.06471	9847
+147.08029	22776
+150.04625	18080
+150.14023	12118
+152.06198	15326
+153.03688	10087
+153.06973	78116
+154.07759	15069
+159.08032	16618
+159.11673	21460
+160.08821	13309
+161.09598	13148
+162.96973	13344
+163.14796	21051
+164.15591	11764
+165.06982	308223
+165.16376	27323
+167.08142	17013
+169.10101	30034
+170.07248	14421
+171.08046	14937
+171.11664	75656
+172.0881	18253
+180.95346	19239
+181.08563	17233
+183.08037	19542
+184.08824	66415
+185.09598	80318
+186.14015	47005
+187.14798	18287
+189.16353	12051
+190.09846	13558
+191.10634	19138
+191.1429	20717
+192.98039	29366
+193.01683	16227
+196.98486	20168
+198.10402	15117
+199.04224	13591
+199.14815	21083
+200.10414	22073
+201.18477	28535
+204.1144	11431
+207.10172	13284
+208.07289	17885
+208.12437	13806
+209.1326	9982
+210.10397	15635
+211.0752	9773
+213.09102	31085
+215.08533	9632
+216.09352	9217
+217.12218	20392
+221.08461	22414
+222.08371	9288
+223.09651	10435
+223.13255	15717
+225.04279	20057
+226.99532	20128
+227.0397	12919
+237.14844	13509
+241.12259	9214
+266.99887	24916
+281.051	11337
+301.01419	24282
+302.01346	9684
+325.98633	10304
+434.99991	28265
+
+NAME: Ethiofencarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1850.2
+PRECURSORMZ: 169.06355
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H15NO2S
+INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCSCC1=CC=CC=C1OC(=O)NC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 15
+77.03855	13985773	"Theoretical m/z 77.038578, Mass diff 0 (0.36 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04641	6440518	"Theoretical m/z 78.046403, Mass diff 0 (0.09 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05421	13785747	"Theoretical m/z 79.054228, Mass diff 0 (0.22 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+91.05423	1772922	"Theoretical m/z 91.054226, Mass diff 0 (0.05 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+95.04913	2584242	"Theoretical m/z 95.049141, Mass diff 0 (-0.12 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+107.04911	132476440	"Theoretical m/z 107.049141, Mass diff 0 (-0.29 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05238	18012446
+109.01057	2088900	"Theoretical m/z 109.011196, Mass diff 0 (0 ppm), Formula C6H5S"
+121.01058	1346309	"Theoretical m/z 121.010644, Mass diff 0 (0.53 ppm), SMILES C1=CC=C(C=C1)CS, Annotation [C7H8S-3H]+, Rule of HR True"
+137.00552	3483633	"Theoretical m/z 137.005563, Mass diff 0 (0.31 ppm), SMILES OC1=CC=CC=C1CS, Annotation [C7H8OS-3H]+, Rule of HR True"
+139.02115	4352836	"Theoretical m/z 139.021213, Mass diff 0 (0.45 ppm), SMILES OC1=CC=CC=C1CS, Annotation [C7H8OS-H]+, Rule of HR True"
+165.07846	1702527	"Theoretical m/z 165.078431, Mass diff 0 (0.18 ppm), SMILES O=C(OC1=CC=CC=C1C)NC, Annotation [C9H11NO2]+, Rule of HR False"
+168.0603	31533380
+169.06355	2692264
+170.05605	1511835
+
+NAME: Furathiocarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2521
+PRECURSORMZ: 382.15558
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H26N2O5S
+INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 56
+69.06985	1386066	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+71.08551	3755809	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+77.03856	3975737	"Theoretical m/z 77.038578, Mass diff 0 (0.23 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05421	3165082	"Theoretical m/z 79.054228, Mass diff 0 (0.22 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+85.10116	5179414	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.02631	1468709	"Theoretical m/z 87.026846, Mass diff 0 (0 ppm), Formula C4H7S"
+89.03855	1539374	"Theoretical m/z 89.038575, Mass diff 0 (0.29 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.03722	2217198	"Theoretical m/z 90.037745, Mass diff 0 (0 ppm), Formula C3H8NS"
+91.05422	11894774	"Theoretical m/z 91.054226, Mass diff 0 (0.06 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05756	1394778
+93.06989	1410134	"Theoretical m/z 93.069876, Mass diff 0 (0.15 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+95.08552	7189710	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+99.1168	1270370	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+103.0542	2929442	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06987	5818624	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.0491	56054476	"Theoretical m/z 107.049141, Mass diff 0 (-0.38 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05243	4446112
+115.05419	7947455	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.062	1611226	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06982	11683592	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.07314	1569808
+119.0491	2131511	"Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O"
+121.06475	3057800	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+122.03616	1751599	"Theoretical m/z 122.036233, Mass diff 0 (0.6 ppm), SMILES O=COC1=CC=CC=C1, Annotation [C7H6O2]+, Rule of HR False"
+123.04398	3244946	"Theoretical m/z 123.044058, Mass diff 0 (0.63 ppm), SMILES O=COC1=CC=CC=C1, Annotation [C7H6O2+H]+, Rule of HR True"
+125.00553	3990712	"Theoretical m/z 125.006111, Mass diff 0 (0 ppm), Formula C6H5OS"
+127.05416	1116936	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+131.04912	3993712	"Theoretical m/z 131.049142, Mass diff 0 (0.17 ppm), SMILES O2C=1C=CC=CC=1CC2C, Annotation [C9H10O-3H]+, Rule of HR True"
+133.06476	1922914	"Theoretical m/z 133.064792, Mass diff 0 (0.24 ppm), SMILES O2C=1C=CC=CC=1CC2C, Annotation [C9H10O-H]+, Rule of HR True"
+134.0726	1236388	"Theoretical m/z 134.072617, Mass diff 0 (0.13 ppm), SMILES O2C=1C=CC=CC=1CC2C, Annotation [C9H10O]+, Rule of HR False"
+135.08034	111409800	"Theoretical m/z 135.080442, Mass diff 0 (0.76 ppm), SMILES O2C=1C=CC=CC=1CC2C, Annotation [C9H10O+H]+, Rule of HR True"
+136.08372	10984663
+137.08699	1202730
+145.06476	12709637	"Theoretical m/z 145.064788, Mass diff 0 (0.19 ppm), SMILES OC1=CC=CC(=C1)CC(C)C, Annotation [C10H14O-5H]+, Rule of HR True"
+146.0725	2713162	"Theoretical m/z 146.072623, Mass diff 0 (0.84 ppm), SMILES O2C=1C=CC=CC=1CC2(C)C, Annotation [C10H12O-2H]+, Rule of HR False"
+147.04393	3844233	"Theoretical m/z 147.044061, Mass diff 0 (0.89 ppm), SMILES OC2=CC=CC1=C2(OC(C)C1), Annotation [C9H10O2-3H]+, Rule of HR True"
+148.05179	2501031	"Theoretical m/z 148.051886, Mass diff 0 (0.65 ppm), SMILES OC2=CC=CC1=C2(OC(C)C1), Annotation [C9H10O2-2H]+, Rule of HR False"
+149.05968	6654334	"Theoretical m/z 149.059711, Mass diff 0 (0.21 ppm), SMILES OC2=CC=CC1=C2(OC(C)C1), Annotation [C9H10O2-H]+, Rule of HR True"
+151.02109	1750528	"Theoretical m/z 151.021761, Mass diff 0 (0 ppm), Formula C8H7OS"
+161.05971	7214270	"Theoretical m/z 161.060255, Mass diff 0 (0 ppm), Formula C10H9O2"
+162.06752	3136184	"Theoretical m/z 162.067526, Mass diff 0 (0.04 ppm), SMILES OC2=CC=CC1=C2(OC(C)(C)C1), Annotation [C10H12O2-2H]+, Rule of HR False"
+163.07527	103087264	"Theoretical m/z 163.075351, Mass diff 0 (0.5 ppm), SMILES OC2=CC=CC1=C2(OC(C)(C)C1), Annotation [C10H12O2-H]+, Rule of HR True"
+164.07866	18667888
+165.03673	3103722	"Theoretical m/z 165.037411, Mass diff 0 (0 ppm), Formula C9H9OS"
+165.0865	1646423	"Theoretical m/z 165.087532, Mass diff 0 (0 ppm), Formula C5H13N2O4"
+166.04459	2713860
+167.05244	9196738	"Theoretical m/z 167.053061, Mass diff 0 (0 ppm), Formula C9H11OS"
+179.01607	4028577	"Theoretical m/z 179.016675, Mass diff 0 (0 ppm), Formula C9H7O2S"
+194.0396	72505904
+195.04282	9999388
+196.03536	4343693
+252.06877	1730040	"Theoretical m/z 252.068897, Mass diff 0 (0.5 ppm), SMILES O=C(OC2=CC=CC1=C2(OC(C)(C)C1))N(C)S, Annotation [C12H15NO3S-H]+, Rule of HR True"
+325.13416	25737232
+326.13763	4317245
+327.12961	1470922
+382.15558	3003258	"Theoretical m/z 382.155701, Mass diff 0 (0.32 ppm), SMILES O=C(OC2=CC=CC1=C2(OC(C)(C)C1))N(C)SN(C(=O)OCCCC)C, Annotation [C18H26N2O5S]+, Rule of HR False"
+
+NAME: Methabenzthiazuron
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1648.3
+PRECURSORMZ: 164.0401
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H11N3OS
+INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CNC(=O)N(C)C1=NC2=CC=CC=C2S1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 26
+68.97929	631688	"Theoretical m/z 68.979896, Mass diff 0 (0 ppm), Formula C3HS"
+69.98714	244080
+77.03852	264525	"Theoretical m/z 77.038578, Mass diff 0 (0.75 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04639	497256	"Theoretical m/z 78.046403, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+80.97932	260910	"Theoretical m/z 80.979896, Mass diff 0 (0 ppm), Formula C4HS"
+81.98714	868671
+84.00283	261645
+90.03382	261541	"Theoretical m/z 90.033822, Mass diff 0 (0.03 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-3H]+, Rule of HR True"
+91.05419	1043948	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.97934	240958	"Theoretical m/z 92.979896, Mass diff 0 (0 ppm), Formula C5HS"
+94.99496	581942	"Theoretical m/z 94.995546, Mass diff 0 (0 ppm), Formula C5H3S"
+96.00276	1716976
+105.06985	873641	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+108.00275	3784398
+109.01062	1955145	"Theoretical m/z 109.010646, Mass diff 0 (0.24 ppm), SMILES C=1C=CC(=CC=1)S, Annotation [C6H6S-H]+, Rule of HR True"
+109.99857	278518
+122.00581	999567	"Theoretical m/z 122.005899, Mass diff 0 (0.73 ppm), SMILES NC1=CC=CC=C1S, Annotation [C6H7NS-3H]+, Rule of HR True"
+134.00578	341889	"Theoretical m/z 134.005893, Mass diff 0 (0.85 ppm), SMILES N1=CSC2=CC=CC=C12, Annotation [C7H5NS-H]+, Rule of HR True"
+135.01364	10130628
+136.02145	23248198	"Theoretical m/z 136.021543, Mass diff 0 (0.69 ppm), SMILES N1=CSC2=CC=CC=C12, Annotation [C7H5NS+H]+, Rule of HR True"
+137.02476	2320304
+138.0172	1133810
+163.03238	5217990	"Theoretical m/z 163.032444, Mass diff 0 (0.39 ppm), SMILES N=2C1=CC=CC=C1SC=2NC, Annotation [C8H8N2S-H]+, Rule of HR True"
+164.0401	15450225
+165.0435	1194566
+166.036	491996
+
+NAME: Methiocarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1946.6
+PRECURSORMZ: 225.08166
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H15NO2S
+INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=CC(=C1SC)C)OC(=O)NC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 20
+77.03853	3679844	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05419	2242575	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+91.05419	16918664	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05753	2210680
+107.0491	5768896	"Theoretical m/z 107.049141, Mass diff 0 (-0.38 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+109.06475	44678736	"Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O"
+110.06806	3590627
+121.0647	2921154	"Theoretical m/z 121.064792, Mass diff 0 (0.76 ppm), SMILES OC1=CC(=CC(=C1)C)C, Annotation [C8H10O-H]+, Rule of HR True"
+123.02618	3293473	"Theoretical m/z 123.026846, Mass diff 0 (0 ppm), Formula C7H7S"
+124.03404	1752501
+125.04188	2111866	"Theoretical m/z 125.042496, Mass diff 0 (0 ppm), Formula C7H9S"
+135.08028	2710962	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+139.05748	2773885	"Theoretical m/z 139.0576, Mass diff 0 (0.86 ppm), SMILES C=1C=CC(=C(C=1)C)SC, Annotation [C8H10S+H]+, Rule of HR True"
+151.02118	2370521	"Theoretical m/z 151.021219, Mass diff 0 (0.26 ppm), SMILES OC=1C=CC(=C(C=1)C)SC, Annotation [C8H10OS-3H]+, Rule of HR True"
+153.03673	83517400	"Theoretical m/z 153.036869, Mass diff 0 (0.91 ppm), SMILES OC=1C=CC(=C(C=1)C)SC, Annotation [C8H10OS-H]+, Rule of HR True"
+154.03999	7618847
+155.03247	3995412
+168.06024	138484912
+169.06343	14501371
+170.05591	6941388
+
+NAME: Tebuthiuron
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1523.2
+PRECURSORMZ: 171.08237
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H16N4OS
+INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 19
+67.05419	151446	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+70.07768	203392	"Theoretical m/z 70.077704, Mass diff 0 (0.34 ppm), SMILES CC(C)(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+71.08548	521147	"Theoretical m/z 71.085529, Mass diff 0 (0.69 ppm), SMILES CC(C)(C)C, Annotation [C5H12-H]+, Rule of HR True"
+72.98545	221499	"Theoretical m/z 72.985498, Mass diff 0 (0.65 ppm), SMILES N(N)=CS, Annotation [CH4N2S-3H]+, Rule of HR True"
+74.00585	894383	"Theoretical m/z 74.005899, Mass diff 0 (0.66 ppm), SMILES N(C)CS, Annotation [C2H7NS-3H]+, Rule of HR True"
+82.07766	217385	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08547	411034	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+85.01058	243275	"Theoretical m/z 85.01065, Mass diff 0 (0.82 ppm), SMILES CC(C)CS, Annotation [C4H10S-5H]+, Rule of HR True"
+85.10112	1191847	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.02628	713629	"Theoretical m/z 87.0263, Mass diff 0 (0.23 ppm), SMILES CC(C)CS, Annotation [C4H10S-3H]+, Rule of HR True"
+88.00893	909324
+89.01674	1201514	"Theoretical m/z 89.016796, Mass diff 0 (0.63 ppm), SMILES N=C(NC)S, Annotation [C2H6N2S-H]+, Rule of HR True"
+97.10114	375450	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+129.0354	802892	"Theoretical m/z 129.03404, Mass diff -0.002 (0 ppm), Formula C9H5O"
+156.05882	14589671	"Theoretical m/z 156.058994, Mass diff 0 (1.11 ppm), SMILES N=1N=C(C(C)(C)C)SC=1N, Annotation [C6H11N3S-H]+, Rule of HR True"
+157.06204	980924
+158.05467	646776
+171.08237	2772215	"Theoretical m/z 171.082474, Mass diff 0 (0.61 ppm), SMILES N=1N=C(C(C)(C)C)SC=1NC, Annotation [C7H13N3S]+, Rule of HR False"
+172.08536	167281
+
+NAME: Iprovalicarb isomer 2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2205.1
+PRECURSORMZ: 320.98029
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H28N2O3
+INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
+INCHI: 
+SMILES: CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 32
+72.08071	11868869	"Theoretical m/z 72.080772, Mass diff 0 (-0.87 ppm), SMILES CC=[N+](C)C, Annotation [C4H10N]+, Rule of HR True"
+77.03853	1384129	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04637	624744	"Theoretical m/z 78.046403, Mass diff 0 (0.42 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+91.0542	11784661	"Theoretical m/z 91.054226, Mass diff 0 (0.28 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05756	1162426
+93.06988	2126123	"Theoretical m/z 93.069876, Mass diff 0 (0.05 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+98.05999	22769174	"Theoretical m/z 98.060037, Mass diff 0 (0.48 ppm), SMILES O=C(N)CC(C)C, Annotation [C5H11NO-3H]+, Rule of HR True"
+99.06335	1399915
+102.04639	635115	"Theoretical m/z 102.046398, Mass diff 0 (0.08 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-4H]+, Rule of HR False"
+103.05418	957635	"Theoretical m/z 103.054223, Mass diff 0 (0.42 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-3H]+, Rule of HR True"
+104.062	932450	"Theoretical m/z 104.062048, Mass diff 0 (0.47 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-2H]+, Rule of HR False"
+105.06986	634005	"Theoretical m/z 105.069873, Mass diff 0 (0.13 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-H]+, Rule of HR True"
+114.12772	1442795	"Theoretical m/z 114.128275, Mass diff 0 (0 ppm), Formula C7H16N"
+115.05423	4802169	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+115.08656	682317	"Theoretical m/z 115.086589, Mass diff 0 (0.26 ppm), SMILES O=C(N)C(N)C(C)C, Annotation [C5H12N2O-H]+, Rule of HR True"
+116.07054	51045976	"Theoretical m/z 116.070606, Mass diff 0 (0.57 ppm), SMILES O=C(OC(C)C)NC, Annotation [C5H11NO2-H]+, Rule of HR True"
+117.06978	12261972	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.065	4640996
+119.08544	27047296	"Theoretical m/z 119.085529, Mass diff 0 (0.75 ppm), SMILES C=1C=C(C=CC=1C)CC, Annotation [C9H12-H]+, Rule of HR True"
+120.08067	7064958	"Theoretical m/z 120.080776, Mass diff 0 (0.88 ppm), SMILES NCC1=CC=C(C=C1)C, Annotation [C8H11N-H]+, Rule of HR True"
+133.0885	693784	"Theoretical m/z 133.088599, Mass diff 0 (0.74 ppm), SMILES NC(C1=CC=C(C=C1)C)C, Annotation [C9H13N-2H]+, Rule of HR False"
+134.09628	52546120	"Theoretical m/z 134.096424, Mass diff 0 (1.07 ppm), SMILES NC(C1=CC=C(C=C1)C)C, Annotation [C9H13N-H]+, Rule of HR True"
+135.09959	5411112
+143.08145	1350994	"Theoretical m/z 143.081501, Mass diff 0 (0.35 ppm), SMILES O=CNC(C(=O)N)C(C)C, Annotation [C6H12N2O2-H]+, Rule of HR True"
+144.06541	815234	"Theoretical m/z 144.065525, Mass diff 0 (0.8 ppm), SMILES O=CCNC(=O)OC(C)C, Annotation [C6H11NO3-H]+, Rule of HR True"
+146.05992	2377373	"Theoretical m/z 146.060037, Mass diff 0 (0.8 ppm), SMILES O=CNCC1=CC=C(C=C1)C, Annotation [C9H11NO-3H]+, Rule of HR True"
+158.11748	5129462	"Theoretical m/z 158.117557, Mass diff 0 (0.49 ppm), SMILES O=C(OC(C)C)NCC(C)C, Annotation [C8H17NO2-H]+, Rule of HR True"
+159.12079	704241
+160.07556	715896	"Theoretical m/z 160.076239, Mass diff 0 (0 ppm), Formula C10H10NO"
+174.09129	1568845	"Theoretical m/z 174.091333, Mass diff 0 (0.25 ppm), SMILES O=C(NC(C1=CC=C(C=C1)C)C)C, Annotation [C11H15NO-3H]+, Rule of HR True"
+202.12248	1563146	"Theoretical m/z 202.122644, Mass diff 0 (0.81 ppm), SMILES O=C(NCC1=CC=C(C=C1)C)CC(C)C, Annotation [C13H19NO-3H]+, Rule of HR True"
+217.14607	609247
+
+NAME: Propham
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1428.8
+PRECURSORMZ: 179.09396
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H13NO2
+INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)OC(=O)NC1=CC=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 14
+77.03853	3191042	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+91.04164	3699709	"Theoretical m/z 91.041647, Mass diff 0 (0.08 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-2H]+, Rule of HR False"
+92.04947	7294446	"Theoretical m/z 92.049472, Mass diff 0 (0.03 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-H]+, Rule of HR True"
+93.05727	74019688	"Theoretical m/z 93.057297, Mass diff 0 (0.3 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N]+, Rule of HR False"
+94.06057	5254457
+103.05417	871798	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+118.06502	1548241	"Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N"
+119.03653	2632696
+120.08067	20807214	"Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N"
+121.08402	1775723
+137.04703	45162664
+138.05034	3788916
+179.09396	20385250	"Theoretical m/z 179.094086, Mass diff 0 (0.71 ppm), SMILES O=C(OC(C)C)NC1=CC=CC=C1, Annotation [C10H13NO2]+, Rule of HR False"
+180.09726	2280362
+
+NAME: Propoxur
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1588.6
+PRECURSORMZ: 166.07762
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H15NO3
+INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)OC1=CC=CC=C1OC(=O)NC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 7
+81.03347	8632450	"Theoretical m/z 81.03404, Mass diff 0 (0 ppm), Formula C5H5O"
+82.04128	6604554
+109.0285	3433710	"Theoretical m/z 109.028408, Mass diff 0 (0.85 ppm), SMILES OC1=CC=CC=C1(O), Annotation [C6H6O2-H]+, Rule of HR True"
+110.03617	159188736	"Theoretical m/z 110.036233, Mass diff 0 (0.57 ppm), SMILES OC1=CC=CC=C1(O), Annotation [C6H6O2]+, Rule of HR False"
+111.03939	10433191
+137.02325	2063426	"Theoretical m/z 137.023319, Mass diff 0 (0.5 ppm), SMILES O=COC1=CC=CC=C1(O), Annotation [C7H6O3-H]+, Rule of HR True"
+152.08307	18518418	"Theoretical m/z 152.083176, Mass diff 0 (0.7 ppm), SMILES OC1=CC=CC=C1(OC(C)C), Annotation [C9H12O2]+, Rule of HR False"
+
+NAME: Pyraclostrobin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2964.2
+PRECURSORMZ: 387.39896
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H18ClN3O4
+INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
+INCHI: 
+SMILES: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 16
+75.02292	1941698	"Theoretical m/z 75.022928, Mass diff 0 (0.1 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03854	4987618	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04639	2294508	"Theoretical m/z 78.046403, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+104.04942	8688712	"Theoretical m/z 104.049478, Mass diff 0 (0.56 ppm), SMILES C1=CC=C(C=C1)NC, Annotation [C7H9N-3H]+, Rule of HR True"
+110.99956	2409817	"Theoretical m/z 110.999607, Mass diff 0 (0.42 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+132.0443	121840808	"Theoretical m/z 132.044397, Mass diff 0 (0.73 ppm), SMILES N=COCC=1C=CC=CC=1, Annotation [C8H9NO-3H]+, Rule of HR True"
+133.04761	10962368
+139.00566	4016833	"Theoretical m/z 139.005746, Mass diff 0 (0.62 ppm), SMILES NNC1=CC=C(C=C1)Cl, Annotation [C6H7ClN2-3H]+, Rule of HR True"
+141.0027	1310691
+164.0705	29023748	"Theoretical m/z 164.070606, Mass diff 0 (0.65 ppm), SMILES O=C(OC)NC1=CC=CC=C1C, Annotation [C9H11NO2-H]+, Rule of HR True"
+165.07382	2566806
+179.01315	2678780	"Theoretical m/z 179.013241, Mass diff 0 (0.51 ppm), SMILES OCC=CNC1=CC=C(C=C1)Cl, Annotation [C9H10ClNO-4H]+, Rule of HR False"
+193.01633	1553056	"Theoretical m/z 193.016315, Mass diff 0 (0.08 ppm), SMILES OC1=NN(C=C1)C2=CC=C(C=C2)Cl, Annotation [C9H7ClN2O-H]+, Rule of HR True"
+194.02409	2333844	"Theoretical m/z 194.02414, Mass diff 0 (0.26 ppm), SMILES OC1=NN(C=C1)C2=CC=C(C=C2)Cl, Annotation [C9H7ClN2O]+, Rule of HR False"
+283.06314	3281990	"Theoretical m/z 283.063282, Mass diff 0 (0.5 ppm), SMILES N2=C(OCC=1C=CC=CC=1)C=CN2C3=CC=C(C=C3)Cl, Annotation [C16H13ClN2O-H]+, Rule of HR True"
+325.06119	2427058	"Theoretical m/z 325.061255, Mass diff 0 (0.2 ppm), SMILES O=CNC1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl, Annotation [C17H14ClN3O2-2H]+, Rule of HR False"
+
+NAME: Thiobencarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1957
+PRECURSORMZ: 257.06329
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H16ClNOS
+INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 27
+72.04432	73205752	"Theoretical m/z 72.044388, Mass diff 0 (-0.94 ppm), SMILES CN(C)C#[O+], Annotation [C3H6NO]+, Rule of HR True"
+73.04769	3413076
+75.0229	1266409	"Theoretical m/z 75.022928, Mass diff 0 (0.37 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03851	1672189	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+89.03851	19931046	"Theoretical m/z 89.038575, Mass diff 0 (0.74 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04636	3807648	"Theoretical m/z 90.046401, Mass diff 0 (0.45 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+98.9996	5474148	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+100.0756	123469712	"Theoretical m/z 100.075687, Mass diff 0 (0.87 ppm), SMILES O=CN(CC)CC, Annotation [C5H11NO-H]+, Rule of HR True"
+100.99657	1714767
+101.07893	6874236
+118.03201	6661496	"Theoretical m/z 118.032108, Mass diff 0 (0.83 ppm), SMILES O=C(N(C)CC)S, Annotation [C4H9NOS-H]+, Rule of HR True"
+119.03987	3721500
+121.01055	2928270	"Theoretical m/z 121.010644, Mass diff 0 (0.78 ppm), SMILES C1=CC=C(C=C1)CS, Annotation [C7H8S-3H]+, Rule of HR True"
+125.01517	52294492	"Theoretical m/z 125.015255, Mass diff 0 (0.68 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.01849	3946427
+127.01216	16472240
+128.01553	1312243
+128.10683	1240688	"Theoretical m/z 128.107539, Mass diff 0 (0 ppm), Formula C7H14NO"
+132.04765	10170105	"Theoretical m/z 132.047763, Mass diff 0 (0.86 ppm), SMILES O=C(N(CC)CC)S, Annotation [C5H11NOS-H]+, Rule of HR True"
+154.97153	2821956	"Theoretical m/z 154.972224, Mass diff 0 (0 ppm), Formula C7H4ClS"
+156.98723	2067905	"Theoretical m/z 156.987323, Mass diff 0 (0.6 ppm), SMILES C=1C=C(C=CC=1CS)Cl, Annotation [C7H7ClS-H]+, Rule of HR True"
+224.08353	10110482	"Theoretical m/z 224.084217, Mass diff 0 (0 ppm), Formula C12H15ClNO"
+225.08673	1490780
+226.08052	3106454
+257.06329	16551845	"Theoretical m/z 257.063569, Mass diff 0 (1.08 ppm), SMILES O=C(N(CC)CC)SCC1=CC=C(C=C1)Cl, Annotation [C12H16ClNOS]+, Rule of HR False"
+258.0669	2108335
+259.06039	5927956
+
+NAME: Isoprocarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1511.8
+PRECURSORMZ: 162.06744
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H15NO2
+INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)C1=CC=CC=C1OC(=O)NC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 14
+77.03852	9143531	"Theoretical m/z 77.038578, Mass diff 0 (0.75 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+91.05419	24827492	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.062	4600860	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06985	17958384	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.0732	1529453
+103.05416	8619170	"Theoretical m/z 103.054223, Mass diff 0 (0.62 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+105.06984	1514840	"Theoretical m/z 105.069873, Mass diff 0 (0.32 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+107.04909	3656625	"Theoretical m/z 107.049141, Mass diff 0 (-0.48 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05416	2657342	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.04918	1839874	"Theoretical m/z 119.049142, Mass diff 0 (0.32 ppm), SMILES OC1=CC=CC=C1CC, Annotation [C8H10O-3H]+, Rule of HR True"
+121.06469	151073376	"Theoretical m/z 121.064792, Mass diff 0 (0.84 ppm), SMILES OC1=CC=CC=C1CC, Annotation [C8H10O-H]+, Rule of HR True"
+122.06792	12611880
+136.08818	39089756	"Theoretical m/z 136.088273, Mass diff 0 (0.68 ppm), SMILES OC1=CC=CC=C1C(C)C, Annotation [C9H12O]+, Rule of HR False"
+137.09149	3776690
+
+NAME: Linuron
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1954.1
+PRECURSORMZ: 248.0112
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H10Cl2N2O2
+INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
+INCHI: 
+SMILES: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 138
+67.05417	189052	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+69.06981	1240120	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+70.07766	472556	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.08546	867766	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+71.97602	54988
+72.98389	290716	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+73.02837	56834	"Theoretical m/z 73.028954, Mass diff 0 (0 ppm), Formula C3H5O2"
+74.01502	207832	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02289	209830	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.0385	66458	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04636	66653	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05416	71431	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+81.06984	147216	"Theoretical m/z 81.069878, Mass diff 0 (-0.46 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07763	224874	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+82.94488	105125	"Theoretical m/z 82.94553, Mass diff 0 (0 ppm), Formula CHCl2"
+83.08545	1032009	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+83.97602	78155
+84.09332	495011
+84.94197	156830
+85.02834	156884	"Theoretical m/z 85.028954, Mass diff 0 (0 ppm), Formula C4H5O2"
+85.1011	1634558
+85.97913	61350	"Theoretical m/z 85.979752, Mass diff 0 (0 ppm), Formula C3HClN"
+86.03617	62897	"Theoretical m/z 86.036779, Mass diff 0 (0 ppm), Formula C4H6O2"
+86.10443	188860
+86.98087	39777
+87.01026	102690
+87.04398	112733	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+88.0181	218420	"Theoretical m/z 88.018724, Mass diff 0 (0 ppm), Formula C6H2N"
+89.03851	431111	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.03379	463111	"Theoretical m/z 90.034374, Mass diff 0 (0 ppm), Formula C6H4N"
+92.06197	30446	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06986	83654	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+95.04907	33709	"Theoretical m/z 95.049141, Mass diff 0 (-0.75 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08546	276620	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+95.97601	35391
+96.98391	518511	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.10112	505605
+97.97918	64038	"Theoretical m/z 97.979752, Mass diff 0 (0 ppm), Formula C4HClN"
+98.03616	172516
+98.10895	87779
+98.98093	337883
+99.04396	342515	"Theoretical m/z 99.044604, Mass diff 0 (0 ppm), Formula C5H7O2"
+99.11674	167453
+99.97617	44418
+100.99657	51879
+101.07896	221400
+104.06193	63731	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06981	36720	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.94486	142348	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+108.05691	78288	"Theoretical m/z 108.057515, Mass diff 0 (0 ppm), Formula C7H8O"
+108.98388	528696	"Theoretical m/z 108.983957, Mass diff 0 (0.7 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.10111	97604
+109.97909	109826	"Theoretical m/z 109.979752, Mass diff 0 (0 ppm), Formula C5HClN"
+110.10892	120370
+110.98087	181604
+111.04388	40591	"Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2"
+111.11673	567806
+111.97617	36877
+112.12454	133143
+113.13232	189833
+114.13578	35052
+121.06468	62875	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.11668	48574
+123.99477	1637774	"Theoretical m/z 123.994851, Mass diff 0 (0.66 ppm), SMILES NC=1C=CC=C(C=1)Cl, Annotation [C6H6ClN-3H]+, Rule of HR True"
+124.12463	100262
+125.00257	2042900	"Theoretical m/z 125.002676, Mass diff 0 (0.85 ppm), SMILES NC=1C=CC=C(C=1)Cl, Annotation [C6H6ClN-2H]+, Rule of HR False"
+125.05957	46273	"Theoretical m/z 125.060255, Mass diff 0 (0 ppm), Formula C7H9O2"
+125.13237	220033
+125.99178	708136
+126.06738	163630	"Theoretical m/z 126.06808, Mass diff 0 (0 ppm), Formula C7H10O2"
+127.01214	665113
+127.14799	228601
+128.04922	34146	"Theoretical m/z 128.050024, Mass diff 0 (0 ppm), Formula C9H6N"
+128.06187	72299
+129.0697	91141
+132.9605	1732847	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+133.01334	765757
+133.06468	34283	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+133.96379	91411
+134.9575	1076363
+135.08025	48109	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+135.96094	42345
+136.95456	132100
+137.02319	45013
+138.99435	31935	"Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO"
+139.07532	39313	"Theoretical m/z 139.075905, Mass diff 0 (0 ppm), Formula C8H11O2"
+139.148	30899
+141.01446	56617
+141.06972	42165
+144.96045	81236	"Theoretical m/z 144.960636, Mass diff 0 (1.28 ppm), SMILES C=1C=CC(=C(C=1)Cl)Cl, Annotation [C6H4Cl2-H]+, Rule of HR True"
+145.06467	72377
+146.95749	45674
+147.08028	40447
+151.07526	78408	"Theoretical m/z 151.075905, Mass diff 0 (0 ppm), Formula C9H11O2"
+152.99748	82484	"Theoretical m/z 152.997595, Mass diff 0 (0.75 ppm), SMILES O=CNC=1C=CC=C(C=1)Cl, Annotation [C7H6ClNO-2H]+, Rule of HR False"
+153.06972	81551
+158.96364	510054	"Theoretical m/z 158.963706, Mass diff 0 (0.41 ppm), SMILES NC=1C=CC(=C(C=1)Cl)Cl, Annotation [C6H5Cl2N-2H]+, Rule of HR False"
+159.97142	2886702	"Theoretical m/z 159.971531, Mass diff 0 (0.69 ppm), SMILES NC=1C=CC(=C(C=1)Cl)Cl, Annotation [C6H5Cl2N-H]+, Rule of HR True"
+160.9792	930459	"Theoretical m/z 160.979356, Mass diff 0 (0.97 ppm), SMILES NC=1C=CC(=C(C=1)Cl)Cl, Annotation [C6H5Cl2N]+, Rule of HR False"
+161.96841	1782710
+162.97624	397446
+163.07523	48965
+163.1481	49726
+163.96542	353824
+172.96663	364088	"Theoretical m/z 172.967328, Mass diff 0 (0 ppm), Formula C6H3Cl2N2"
+173.95067	69137	"Theoretical m/z 173.951344, Mass diff 0 (0 ppm), Formula C6H2Cl2NO"
+174.96368	176685
+182.02394	219299
+183.01305	29099
+186.95848	1299606
+187.96631	313718	"Theoretical m/z 187.966449, Mass diff 0 (0.74 ppm), SMILES O=CNC=1C=CC(=C(C=1)Cl)Cl, Annotation [C7H5Cl2NO-H]+, Rule of HR True"
+188.95548	857536
+189.96332	186926
+190.95245	137352
+191.9604	47830
+195.08029	44992
+197.09592	34790
+198.95735	92614
+199.99004	68767
+200.10416	41752
+201.94553	67186	"Theoretical m/z 201.946259, Mass diff 0 (0 ppm), Formula C7H2Cl2NO2"
+202.95348	33251
+209.08081	61783
+221.08427	44558
+223.03563	36818
+239.00398	30737
+248.0112	2075778	"Theoretical m/z 248.011384, Mass diff 0 (0.74 ppm), SMILES O=C(NC=1C=CC(=C(C=1)Cl)Cl)N(OC)C, Annotation [C9H10Cl2N2O2]+, Rule of HR False"
+249.01437	81828
+250.00818	1307328
+251.0116	74515
+252.00517	181091
+252.98311	32483
+258.0669	57263
+282.05035	44010
+283.048	46646
+301.01404	30635
+305.02228	45764
+447.34622	81413
+
+NAME: Metobromuron
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1843.9
+PRECURSORMZ: 257.99976
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H11BrN2O2
+INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CN(C(=O)NC1=CC=C(C=C1)Br)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 57
+69.06982	79294	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+70.07767	70474	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.08547	67846	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+74.01505	127625	"Theoretical m/z 74.015103, Mass diff 0 (0.71 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.0229	397199	"Theoretical m/z 75.022928, Mass diff 0 (0.37 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+76.03071	324682	"Theoretical m/z 76.030753, Mass diff 0 (0.56 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+81.06985	62803	"Theoretical m/z 81.069878, Mass diff 0 (-0.34 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+85.10112	274891
+88.01812	73402	"Theoretical m/z 88.018724, Mass diff 0 (0 ppm), Formula C6H2N"
+90.03382	1740254	"Theoretical m/z 90.033822, Mass diff 0 (0.03 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-3H]+, Rule of HR True"
+91.04161	4286118	"Theoretical m/z 91.041647, Mass diff 0 (0.41 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-2H]+, Rule of HR False"
+92.06197	486809	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06985	63603	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04128	80858	"Theoretical m/z 94.041313, Mass diff 0 (-0.35 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+97.10116	81181
+104.06197	69168	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+115.05416	62621	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.93333	568369	"Theoretical m/z 116.933987, Mass diff 0 (0 ppm), Formula C3H2Br"
+118.07758	54780
+118.9313	597649
+119.03649	267143
+120.05692	55021	"Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O"
+141.01453	54888
+142.949	1321804	"Theoretical m/z 142.949637, Mass diff 0 (0 ppm), Formula C5H4Br"
+143.95229	77689
+144.94694	1331059
+145.95021	64352
+147.08029	182728
+148.06293	247504
+154.94893	381076	"Theoretical m/z 154.949085, Mass diff 0 (1 ppm), SMILES C1=CC=C(C=C1)Br, Annotation [C6H5Br-H]+, Rule of HR True"
+156.94696	395936
+168.95209	1030472
+169.95987	5315114	"Theoretical m/z 169.95998, Mass diff 0 (0.65 ppm), SMILES NC1=CC=C(C=C1)Br, Annotation [C6H6BrN-H]+, Rule of HR True"
+170.95	1887914
+171.95775	5272697
+172.96568	835619
+182.95514	466989	"Theoretical m/z 182.955785, Mass diff 0 (0 ppm), Formula C6H4BrN2"
+183.97568	89754	"Theoretical m/z 183.976186, Mass diff 0 (0 ppm), Formula C7H7BrN"
+184.95309	459024
+185.09596	63130
+185.97357	66438
+196.94698	2048888
+197.04176	67757
+197.95477	626413	"Theoretical m/z 197.954898, Mass diff 0 (0.65 ppm), SMILES O=CNC1=CC=C(C=C1)Br, Annotation [C7H6BrNO-H]+, Rule of HR True"
+198.0499	67957
+198.94492	2122378
+199.95273	628910
+205.12239	53628
+208.97055	62176	"Theoretical m/z 208.971435, Mass diff 0 (0 ppm), Formula C8H6BrN2"
+209.97867	148722
+210.96874	63647
+211.97658	172472
+227.97127	58107
+257.99976	4258880	"Theoretical m/z 257.999848, Mass diff 0 (0.34 ppm), SMILES O=C(NC1=CC=C(C=C1)Br)N(OC)C, Annotation [C9H11BrN2O2]+, Rule of HR False"
+259.00308	400973
+259.99765	4177426
+261.00098	416740
+
+NAME: Monolinuron
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1705.3
+PRECURSORMZ: 214.05022
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H11ClN2O2
+INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CN(C(=O)NC1=CC=C(C=C1)Cl)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 56
+72.98392	1035007	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+74.01505	319609	"Theoretical m/z 74.015103, Mass diff 0 (0.71 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02291	1404798	"Theoretical m/z 75.022928, Mass diff 0 (0.23 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03853	210505	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04639	238004	"Theoretical m/z 78.046403, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+84.09333	236042
+85.02834	211390	"Theoretical m/z 85.028954, Mass diff 0 (0 ppm), Formula C4H5O2"
+85.10113	185716
+86.10447	117583
+88.01814	125884	"Theoretical m/z 88.018724, Mass diff 0 (0 ppm), Formula C6H2N"
+89.03851	216801	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.03381	3218316	"Theoretical m/z 90.033822, Mass diff 0 (0.14 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-3H]+, Rule of HR True"
+91.05419	882804	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05753	333877
+98.03618	128731
+98.99955	5853586	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+99.11677	275919
+100.00285	437425
+100.99663	1904012
+105.06986	525917	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.04129	307629	"Theoretical m/z 106.041865, Mass diff 0 (0 ppm), Formula C7H6O"
+110.99953	579574	"Theoretical m/z 110.999607, Mass diff 0 (0.69 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.99657	293482
+117.06979	236643	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.07758	192884
+119.08548	622656	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.05692	214442	"Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O"
+121.0647	522914	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.9948	113051	"Theoretical m/z 123.995402, Mass diff 0 (0 ppm), Formula C6H3ClN"
+125.00259	2180260	"Theoretical m/z 125.002676, Mass diff 0 (0.69 ppm), SMILES NC1=CC=C(C=C1)Cl, Annotation [C6H6ClN-2H]+, Rule of HR False"
+126.01041	9824004	"Theoretical m/z 126.010502, Mass diff 0 (0.73 ppm), SMILES NC1=CC=C(C=C1)Cl, Annotation [C6H6ClN-H]+, Rule of HR True"
+127.01817	2145518	"Theoretical m/z 127.018327, Mass diff 0 (1.23 ppm), SMILES NC1=CC=C(C=C1)Cl, Annotation [C6H6ClN]+, Rule of HR False"
+128.00742	3227433
+128.06189	130867
+129.01514	530830
+131.04906	328051	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+139.0056	513746	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+141.01454	149823
+146.07253	306212
+148.08371	477787
+152.99745	2812478
+154.00523	986662	"Theoretical m/z 154.00542, Mass diff 0 (1.24 ppm), SMILES O=CNC1=CC=C(C=C1)Cl, Annotation [C7H6ClNO-H]+, Rule of HR True"
+154.99452	877413
+156.00223	293103
+161.09598	216120
+166.02911	175700
+166.08978	210617	"Theoretical m/z 166.086804, Mass diff -0.004 (0 ppm), Formula C9H12NO2"
+175.07523	149037
+191.10644	357922
+214.05022	6243574	"Theoretical m/z 214.050355, Mass diff 0 (0.63 ppm), SMILES O=C(NC1=CC=C(C=C1)Cl)N(OC)C, Annotation [C9H11ClN2O2]+, Rule of HR False"
+215.05338	622235
+216.04733	1995569
+217.05081	186795
+219.13779	556278
+232.21826	191915
+234.16132	103293
+
+NAME: Pirimicarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1829.6
+PRECURSORMZ: 238.1422
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H18N4O2
+INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 20
+69.05725	3213044	"Theoretical m/z 69.057303, Mass diff 0 (0.77 ppm), SMILES NC(=CC)C, Annotation [C4H9N-2H]+, Rule of HR False"
+69.06982	3115614	"Theoretical m/z 69.069873, Mass diff 0 (0.77 ppm), SMILES C(=C(C)C)C, Annotation [C5H10-H]+, Rule of HR True"
+72.04431	21660028	"Theoretical m/z 72.044388, Mass diff 0 (-1.08 ppm), SMILES CN(C)C#[O+], Annotation [C3H6NO]+, Rule of HR True"
+83.02392	2352151	"Theoretical m/z 83.024538, Mass diff 0 (0 ppm), Formula C3H3N2O"
+96.04431	6457074	"Theoretical m/z 96.044389, Mass diff 0 (0.82 ppm), SMILES N=C(O)C(=CC)C, Annotation [C5H9NO-3H]+, Rule of HR True"
+109.07597	6503936	"Theoretical m/z 109.076025, Mass diff 0 (0.5 ppm), SMILES N=1C=NC(=C(C=1)C)C, Annotation [C6H8N2+H]+, Rule of HR True"
+110.05997	8320439	"Theoretical m/z 110.060589, Mass diff 0 (0 ppm), Formula C6H8NO"
+123.05514	7939756	"Theoretical m/z 123.055286, Mass diff 0 (1.19 ppm), SMILES OC1=NC=NC(=C1C)C, Annotation [C6H8N2O-H]+, Rule of HR True"
+124.0756	2217595	"Theoretical m/z 124.076239, Mass diff 0 (0 ppm), Formula C7H10NO"
+125.07084	2386296	"Theoretical m/z 125.070936, Mass diff 0 (0.77 ppm), SMILES OC1=NC=NC(=C1C)C, Annotation [C6H8N2O+H]+, Rule of HR True"
+137.07085	11306251	"Theoretical m/z 137.071488, Mass diff 0 (0 ppm), Formula C7H9N2O"
+138.07864	9143825
+150.10249	2854735	"Theoretical m/z 150.102573, Mass diff 0 (0.55 ppm), SMILES N1=CC(=C(N=C1N(C)C)C)C, Annotation [C8H13N3-H]+, Rule of HR True"
+152.08171	4916438	"Theoretical m/z 152.081836, Mass diff 0 (0.83 ppm), SMILES OC1=NC(=NC(=C1C)C)NC, Annotation [C7H11N3O-H]+, Rule of HR True"
+165.08975	2687388	"Theoretical m/z 165.089667, Mass diff 0 (0.5 ppm), SMILES OC1=NC(=NC(=C1C)C)N(C)C, Annotation [C8H13N3O-2H]+, Rule of HR False"
+166.09738	194250800	"Theoretical m/z 166.097492, Mass diff 0 (0.67 ppm), SMILES OC1=NC(=NC(=C1C)C)N(C)C, Annotation [C8H13N3O-H]+, Rule of HR True"
+167.10057	19252846
+193.0845	5387972
+238.1422	29782884	"Theoretical m/z 238.142426, Mass diff 0 (0.95 ppm), SMILES O=C(OC1=NC(=NC(=C1C)C)N(C)C)N(C)C, Annotation [C11H18N4O2]+, Rule of HR False"
+239.14543	3816677
+
+NAME: Siduron
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2153.5
+PRECURSORMZ: 232.15689
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H20N2O
+INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1CCCCC1NC(=O)NC2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 14
+67.05419	99445	"Theoretical m/z 67.054229, Mass diff 0 (0.58 ppm), SMILES CCCCC, Annotation [C5H12-5H]+, Rule of HR True"
+71.08549	612882	"Theoretical m/z 71.085529, Mass diff 0 (0.55 ppm), SMILES CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+85.10113	824194	"Theoretical m/z 85.101179, Mass diff 0 (0.58 ppm), SMILES C1CCCCC1, Annotation [C6H12+H]+, Rule of HR True"
+92.06203	194851	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.05728	6788505	"Theoretical m/z 93.057297, Mass diff 0 (0.19 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N]+, Rule of HR False"
+94.06062	462636
+99.11676	168947	"Theoretical m/z 99.116827, Mass diff 0 (0.68 ppm), SMILES CC1CCCCC1, Annotation [C7H14+H]+, Rule of HR True"
+113.13238	107321	"Theoretical m/z 113.133026, Mass diff 0 (0 ppm), Formula C8H17"
+119.03651	117681
+135.08031	192830	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+136.0518	68106
+137.07086	112688	"Theoretical m/z 137.070936, Mass diff 0 (0.56 ppm), SMILES O=C(N)NC1=CC=CC=C1, Annotation [C7H8N2O+H]+, Rule of HR True"
+137.13245	79465	"Theoretical m/z 137.133026, Mass diff 0 (0 ppm), Formula C10H17"
+232.15689	102676	"Theoretical m/z 232.157014, Mass diff 0 (0.53 ppm), SMILES O=C(NC1=CC=CC=C1)NC2CCCCC2(C), Annotation [C14H20N2O]+, Rule of HR False"
+
+NAME: Bendiocarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1647.1
+PRECURSORMZ: 223.08376
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H13NO4
+INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 13
+79.0178	2674740	"Theoretical m/z 79.01839, Mass diff 0 (0 ppm), Formula C5H3O"
+80.0256	3727043
+97.02838	4065354	"Theoretical m/z 97.028954, Mass diff 0 (0 ppm), Formula C5H5O2"
+108.02048	9962600	"Theoretical m/z 108.020583, Mass diff 0 (0.95 ppm), SMILES OC=1C=CC=C(O)C=1, Annotation [C6H6O2-2H]+, Rule of HR False"
+123.04394	7407444	"Theoretical m/z 123.044058, Mass diff 0 (0.96 ppm), SMILES O=COC=1C=CC=CC=1, Annotation [C7H6O2+H]+, Rule of HR True"
+125.02327	3907762	"Theoretical m/z 125.023319, Mass diff 0 (0.39 ppm), SMILES OC=1C=CC=C(O)C=1(O), Annotation [C6H6O3-H]+, Rule of HR True"
+126.03101	45781164	"Theoretical m/z 126.031144, Mass diff 0 (1.06 ppm), SMILES OC=1C=CC=C(O)C=1(O), Annotation [C6H6O3]+, Rule of HR False"
+127.03434	2945581
+151.03885	174249984	"Theoretical m/z 151.038974, Mass diff 0 (0.82 ppm), SMILES OC1=CC=CC=2OC(OC1=2)C, Annotation [C8H8O3-H]+, Rule of HR True"
+152.04207	15114299
+166.06235	69684752	"Theoretical m/z 166.06244, Mass diff 0 (0.54 ppm), SMILES OC1=CC=CC=2OC(OC1=2)(C)C, Annotation [C9H10O3]+, Rule of HR False"
+167.06564	6971254
+223.08376	4389550	"Theoretical m/z 223.083909, Mass diff 0 (0.67 ppm), SMILES O=C(OC1=CC=CC=2OC(OC1=2)(C)C)NC, Annotation [C11H13NO4]+, Rule of HR False"
+
+NAME: Bifenazate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2450.2
+PRECURSORMZ: 300.14673
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H20N2O3
+INCHIKEY: VHLKTXFWDRXILV-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 66
+75.02295	99946	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+76.03072	185996	"Theoretical m/z 76.030753, Mass diff 0 (0.43 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03854	345346	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04639	111255	"Theoretical m/z 78.046403, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+87.04404	102639	"Theoretical m/z 87.044056, Mass diff 0 (0.18 ppm), SMILES O=COC(C)C, Annotation [C4H8O2-H]+, Rule of HR True"
+88.03073	87476	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+89.03853	296734	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05421	266342	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+102.04636	1411034	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05418	153452	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06986	169408	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+113.03846	254164	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.06748	165613	"Theoretical m/z 114.06808, Mass diff 0 (0 ppm), Formula C6H10O2"
+115.05417	1357934	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06199	185896	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.0698	106168	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+126.04634	477465
+127.0541	609940	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06194	1411508	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06975	482543	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+139.05414	3288778	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+140.06194	1401458
+141.06975	1616778	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07765	219882
+143.08545	97682	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+145.06474	137566	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+150.04637	360496
+151.05415	1038556	"Theoretical m/z 151.054223, Mass diff 0 (0.49 ppm), SMILES C1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10-3H]+, Rule of HR True"
+152.06197	7668422
+153.06973	5684646	"Theoretical m/z 153.069873, Mass diff 0 (0.94 ppm), SMILES C1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10-H]+, Rule of HR True"
+154.06514	1818145	"Theoretical m/z 154.065674, Mass diff 0 (0 ppm), Formula C11H8N"
+155.08539	5255336	"Theoretical m/z 155.085524, Mass diff 0 (0.86 ppm), SMILES C1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10+H]+, Rule of HR True"
+156.08077	2787412	"Theoretical m/z 156.081324, Mass diff 0 (0 ppm), Formula C11H10N"
+157.08392	311099
+165.06987	657926	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07764	475542	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.07298	778693	"Theoretical m/z 167.072943, Mass diff 0 (0.22 ppm), SMILES NC1=CC=CC(=C1)C2=CC=CC=C2, Annotation [C12H11N-2H]+, Rule of HR False"
+168.05692	2869869
+169.0647	2047825	"Theoretical m/z 169.064792, Mass diff 0 (0.55 ppm), SMILES OC1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10O-H]+, Rule of HR True"
+170.07245	2543946
+171.08032	529917	"Theoretical m/z 171.080442, Mass diff 0 (0.72 ppm), SMILES OC1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10O+H]+, Rule of HR True"
+179.06033	395276	"Theoretical m/z 179.060923, Mass diff 0 (0 ppm), Formula C12H7N2"
+181.07587	546105	"Theoretical m/z 181.076028, Mass diff 0 (0.87 ppm), SMILES NNC1=CC=CC(=C1)C2=CC=CC=C2, Annotation [C12H12N2-3H]+, Rule of HR True"
+182.06007	1270673	"Theoretical m/z 182.060037, Mass diff 0 (0.18 ppm), SMILES OC=1C=CC(=CC=1(N))C2=CC=CC=C2, Annotation [C12H11NO-3H]+, Rule of HR True"
+183.08044	2899049	"Theoretical m/z 183.080448, Mass diff 0 (0.04 ppm), SMILES O(C1=CC=C(C=C1)C2=CC=CC=C2)C, Annotation [C13H12O-H]+, Rule of HR True"
+184.07567	4053838	"Theoretical m/z 184.075687, Mass diff 0 (0.09 ppm), SMILES OC=1C=CC(=CC=1(N))C2=CC=CC=C2, Annotation [C12H11NO-H]+, Rule of HR True"
+185.09602	572821	"Theoretical m/z 185.096098, Mass diff 0 (0.42 ppm), SMILES O(C1=CC=C(C=C1)C2=CC=CC=C2)C, Annotation [C13H12O+H]+, Rule of HR True"
+193.07599	186727	"Theoretical m/z 193.076573, Mass diff 0 (0 ppm), Formula C13H9N2"
+195.08038	100971	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+196.07562	8507207	"Theoretical m/z 196.076239, Mass diff 0 (0 ppm), Formula C13H10NO"
+197.08345	2791030
+198.09125	877238	"Theoretical m/z 198.091343, Mass diff 0 (0.47 ppm), SMILES O(C=1C=CC(=CC=1(N))C2=CC=CC=C2)C, Annotation [C13H13NO-H]+, Rule of HR True"
+199.0865	5655238	"Theoretical m/z 199.086582, Mass diff 0 (0.41 ppm), SMILES OC=1C=CC(=CC=1(NN))C2=CC=CC=C2, Annotation [C12H12N2O-H]+, Rule of HR True"
+199.09895	1067050
+200.08984	707770
+211.08652	1350257	"Theoretical m/z 211.086582, Mass diff 0 (0.29 ppm), SMILES O=CNNC1=CC=CC(=C1)C2=CC=CC=C2, Annotation [C13H12N2O-H]+, Rule of HR True"
+212.08308	175521	"Theoretical m/z 212.08373, Mass diff 0 (0 ppm), Formula C14H12O2"
+213.10208	799495	"Theoretical m/z 213.102237, Mass diff 0 (0.74 ppm), SMILES O(C=1C=CC(=CC=1(NN))C2=CC=CC=C2)C, Annotation [C13H14N2O-H]+, Rule of HR True"
+214.10997	3395173	"Theoretical m/z 214.110062, Mass diff 0 (0.43 ppm), SMILES O(C=1C=CC(=CC=1(NN))C2=CC=CC=C2)C, Annotation [C13H14N2O]+, Rule of HR False"
+215.11333	491602
+240.08899	205444
+258.09982	7514226
+259.10315	1158708
+260.10538	93623
+300.14673	4697805	"Theoretical m/z 300.146851, Mass diff 0 (0.4 ppm), SMILES O=C(OC(C)C)NNC=1C=C(C=CC=1(OC))C2=CC=CC=C2, Annotation [C17H20N2O3]+, Rule of HR False"
+301.15012	821922
+
+NAME: Carbofuran
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1703.8
+PRECURSORMZ: 221.1048
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H15NO3
+INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 34
+77.03859	4599846	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04644	1583061	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05425	1928751	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+91.05427	9609444	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06995	3580796	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04137	4262186	"Theoretical m/z 94.041313, Mass diff 0 (0.6 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.04919	2240296	"Theoretical m/z 95.049141, Mass diff 0 (0.52 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+103.05425	11398406	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06207	1216744	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06993	1697003	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04917	5784921	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+110.03628	1282573	"Theoretical m/z 110.036779, Mass diff 0 (0 ppm), Formula C6H6O2"
+115.05427	3969447	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06206	1004480	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06989	6092492	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.0777	3970483
+119.0856	2073963	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.06481	17876296	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+122.03622	16433522	"Theoretical m/z 122.036233, Mass diff 0 (0.1 ppm), SMILES O=COC=1C=CC=CC=1, Annotation [C7H6O2]+, Rule of HR False"
+123.04401	14313861	"Theoretical m/z 123.044058, Mass diff 0 (0.39 ppm), SMILES O=COC=1C=CC=CC=1, Annotation [C7H6O2+H]+, Rule of HR True"
+124.04746	1391550
+131.04916	21452668	"Theoretical m/z 131.049142, Mass diff 0 (0.14 ppm), SMILES O2C=1C=CC=CC=1CC2C, Annotation [C9H10O-3H]+, Rule of HR True"
+132.0525	2448547
+135.08041	3415573	"Theoretical m/z 135.080442, Mass diff 0 (0.24 ppm), SMILES O2C=1C=CC=CC=1CC2C, Annotation [C9H10O+H]+, Rule of HR True"
+136.05194	1210396	"Theoretical m/z 136.051881, Mass diff 0 (0.44 ppm), SMILES O=COC1=CC=CC(=C1)C, Annotation [C8H8O2]+, Rule of HR False"
+145.06485	6384264	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+146.07265	10803196	"Theoretical m/z 146.072623, Mass diff 0 (0.19 ppm), SMILES O2C=1C=CC=CC=1CC2(C)C, Annotation [C10H12O-2H]+, Rule of HR False"
+147.08041	8954100	"Theoretical m/z 147.080448, Mass diff 0 (0.26 ppm), SMILES O2C=1C=CC=CC=1CC2(C)C, Annotation [C10H12O-H]+, Rule of HR True"
+148.05185	1528119	"Theoretical m/z 148.051886, Mass diff 0 (0.24 ppm), SMILES OC2=CC=CC1=C2(OC(C)C1), Annotation [C9H10O2-2H]+, Rule of HR False"
+149.05975	64815004	"Theoretical m/z 149.059711, Mass diff 0 (0.26 ppm), SMILES OC2=CC=CC1=C2(OC(C)C1), Annotation [C9H10O2-H]+, Rule of HR True"
+150.06306	6447718
+163.07547	2167101	"Theoretical m/z 163.075351, Mass diff 0 (0.73 ppm), SMILES OC2=CC=CC1=C2(OC(C)(C)C1), Annotation [C10H12O2-H]+, Rule of HR True"
+164.08327	99001672	"Theoretical m/z 164.083176, Mass diff 0 (0.57 ppm), SMILES OC2=CC=CC1=C2(OC(C)(C)C1), Annotation [C10H12O2]+, Rule of HR False"
+165.08655	10703980
+
+NAME: Cycluron
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1752.2
+PRECURSORMZ: 198.17252
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H22N2O
+INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CN(C)C(=O)NC1CCCCCCC1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 26
+72.04433	6710635	"Theoretical m/z 72.044388, Mass diff 0 (-0.8 ppm), SMILES CN(C)C#[O+], Annotation [C3H6NO]+, Rule of HR True"
+73.02837	162125
+79.0542	142565	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+82.07768	93334	"Theoretical m/z 82.077702, Mass diff 0 (0.27 ppm), SMILES CCCCCC, Annotation [C6H14-4H]+, Rule of HR False"
+84.09334	97522	"Theoretical m/z 84.093352, Mass diff 0 (0.14 ppm), SMILES CCCCCC, Annotation [C6H14-2H]+, Rule of HR False"
+88.06308	239941
+89.07088	3081396	"Theoretical m/z 89.070936, Mass diff 0 (0.63 ppm), SMILES O=C(N)N(C)C, Annotation [C3H8N2O+H]+, Rule of HR True"
+90.03378	85946	"Theoretical m/z 90.034374, Mass diff 0 (0 ppm), Formula C6H4N"
+98.03619	215189
+98.10897	85978	"Theoretical m/z 98.109, Mass diff 0 (0.3 ppm), SMILES CCCCCCC, Annotation [C7H16-2H]+, Rule of HR False"
+99.05523	1567624	"Theoretical m/z 99.055292, Mass diff 0 (0.62 ppm), SMILES O=C(NC)N(C)C, Annotation [C4H10N2O-3H]+, Rule of HR True"
+100.05858	114198
+101.07092	226395	"Theoretical m/z 101.070942, Mass diff 0 (0.21 ppm), SMILES O=C(NC)N(C)C, Annotation [C4H10N2O-H]+, Rule of HR True"
+113.07084	532942	"Theoretical m/z 113.070939, Mass diff 0 (0.88 ppm), SMILES O=C(NCC)N(C)C, Annotation [C5H12N2O-3H]+, Rule of HR True"
+115.05417	152058	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+126.12766	787098	"Theoretical m/z 126.127727, Mass diff 0 (0.53 ppm), SMILES NC1CCCCCCC1, Annotation [C8H17N-H]+, Rule of HR True"
+127.08649	988962	"Theoretical m/z 127.086587, Mass diff 0 (0.77 ppm), SMILES O=C(NC(C)C)N(C)C, Annotation [C6H14N2O-3H]+, Rule of HR True"
+127.14806	111815	"Theoretical m/z 127.148676, Mass diff 0 (0 ppm), Formula C9H19"
+141.01454	506209
+141.06973	421907	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+154.12251	1272859	"Theoretical m/z 154.122638, Mass diff 0 (0.83 ppm), SMILES O=CNC1CCCCCCC1, Annotation [C9H17NO-H]+, Rule of HR True"
+155.11774	367485	"Theoretical m/z 155.117883, Mass diff 0 (0.92 ppm), SMILES O=C(NCCCCC)N(C)C, Annotation [C8H18N2O-3H]+, Rule of HR True"
+156.09326	79502
+169.13345	957905	"Theoretical m/z 169.133533, Mass diff 0 (0.49 ppm), SMILES O=C(N)NC1CCCCCCC1, Annotation [C9H18N2O-H]+, Rule of HR True"
+170.1368	70713
+198.17252	298360	"Theoretical m/z 198.172669, Mass diff 0 (0.75 ppm), SMILES O=C(NC1CCCCCCC1)N(C)C, Annotation [C11H22N2O]+, Rule of HR False"
+
+NAME: Diethofencarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1966.6
+PRECURSORMZ: 267.14624
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H21NO4
+INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 44
+68.04941	3142485	"Theoretical m/z 68.050024, Mass diff 0 (0 ppm), Formula C4H6N"
+77.03852	1110005	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.03378	1743845	"Theoretical m/z 78.034374, Mass diff 0 (0 ppm), Formula C5H4N"
+79.04157	4317150	"Theoretical m/z 79.042199, Mass diff 0 (0 ppm), Formula C5H5N"
+80.01302	3393501	"Theoretical m/z 80.013639, Mass diff 0 (0 ppm), Formula C4H2NO"
+85.10112	1279479	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+95.0855	1314518	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+96.0443	35794292	"Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO"
+97.02835	9276915	"Theoretical m/z 97.028954, Mass diff 0 (0 ppm), Formula C5H5O2"
+106.02866	2907204	"Theoretical m/z 106.029289, Mass diff 0 (0 ppm), Formula C6H4NO"
+107.04904	1336429	"Theoretical m/z 107.049141, Mass diff 0 (-0.94 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+122.02355	6566190	"Theoretical m/z 122.024203, Mass diff 0 (0 ppm), Formula C6H4NO2"
+123.03136	4552375	"Theoretical m/z 123.032028, Mass diff 0 (0 ppm), Formula C6H5NO2"
+124.03921	87851664	"Theoretical m/z 124.039853, Mass diff 0 (0 ppm), Formula C6H6NO2"
+125.04695	26789568
+126.05031	1827166
+134.0235	2611787	"Theoretical m/z 134.024203, Mass diff 0 (0 ppm), Formula C7H4NO2"
+136.0392	2520894	"Theoretical m/z 136.039853, Mass diff 0 (0 ppm), Formula C7H6NO2"
+150.01849	10308320	"Theoretical m/z 150.019118, Mass diff 0 (0 ppm), Formula C7H4NO3"
+151.02629	15848021
+152.07048	16005690	"Theoretical m/z 152.070606, Mass diff 0 (0.83 ppm), SMILES OC=1C=CC(N)=CC=1(OCC), Annotation [C8H11NO2-H]+, Rule of HR True"
+153.07826	4525894	"Theoretical m/z 153.078431, Mass diff 0 (1.12 ppm), SMILES OC=1C=CC(N)=CC=1(OCC), Annotation [C8H11NO2]+, Rule of HR False"
+154.04973	1451664	"Theoretical m/z 154.050418, Mass diff 0 (0 ppm), Formula C7H8NO3"
+162.01849	1185088	"Theoretical m/z 162.019118, Mass diff 0 (0 ppm), Formula C8H4NO3"
+166.08621	2129335	"Theoretical m/z 166.086261, Mass diff 0 (0.31 ppm), SMILES O(C=1C=CC(N)=CC=1(OCC))C, Annotation [C9H13NO2-H]+, Rule of HR True"
+168.02904	82058472	"Theoretical m/z 168.029683, Mass diff 0 (0 ppm), Formula C7H6NO4"
+169.03668	41305784
+170.04002	3300533
+178.04973	1040856	"Theoretical m/z 178.049875, Mass diff 0 (0.81 ppm), SMILES O=C(O)NC=1C=CC=C(OCC)C=1, Annotation [C9H11NO3-3H]+, Rule of HR True"
+179.05757	4023424
+180.06532	3633918	"Theoretical m/z 180.065525, Mass diff 0 (1.14 ppm), SMILES O=C(O)NC=1C=CC=C(OCC)C=1, Annotation [C9H11NO3-H]+, Rule of HR True"
+180.10175	6925052	"Theoretical m/z 180.101902, Mass diff 0 (0.84 ppm), SMILES O(C=1C=CC(N)=CC=1(OCC))CC, Annotation [C10H15NO2-H]+, Rule of HR True"
+181.10959	2186739	"Theoretical m/z 181.109727, Mass diff 0 (0.75 ppm), SMILES O(C=1C=CC(N)=CC=1(OCC))CC, Annotation [C10H15NO2]+, Rule of HR False"
+195.05252	1707797
+196.06033	52051608	"Theoretical m/z 196.060428, Mass diff 0 (0.5 ppm), SMILES O=C(O)NC=1C=CC(O)=C(OCC)C=1, Annotation [C9H11NO4-H]+, Rule of HR True"
+197.0681	53869100
+198.07138	5221829
+207.08893	4636434
+208.09672	2530356	"Theoretical m/z 208.09682, Mass diff 0 (0.48 ppm), SMILES O=CNC=1C=CC(OCC)=C(OCC)C=1, Annotation [C11H15NO3-H]+, Rule of HR True"
+225.09935	104039696
+226.10263	10941497
+238.10718	2606344	"Theoretical m/z 238.10738, Mass diff 0 (0.84 ppm), SMILES O=C(OCC)NC=1C=CC(OC)=C(OCC)C=1, Annotation [C12H17NO4-H]+, Rule of HR True"
+267.14624	73925880	"Theoretical m/z 267.146516, Mass diff 0 (1.03 ppm), SMILES O=C(OC(C)C)NC=1C=CC(OCC)=C(OCC)C=1, Annotation [C14H21NO4]+, Rule of HR False"
+268.1496	10954290
+
+NAME: Diflubenzuron
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1298.9
+PRECURSORMZ: 158.03662
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H9ClF2N2O2
+INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 11
+88.01186	841664
+93.01351	1108475	"Theoretical m/z 93.013505, Mass diff 0 (0.05 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F-3H]+, Rule of HR True"
+94.02132	695205
+113.01965	2460390	"Theoretical m/z 113.019733, Mass diff 0 (0.74 ppm), SMILES FC1=CC=CC(F)=C1, Annotation [C6H4F2-H]+, Rule of HR True"
+114.02753	1762400
+141.01456	68786584	"Theoretical m/z 141.014652, Mass diff 0 (0.65 ppm), SMILES O=CC=1C(F)=CC=CC=1(F), Annotation [C7H4F2O-H]+, Rule of HR True"
+141.02559	10413919	"Theoretical m/z 141.02643, Mass diff 0 (0 ppm), Formula C6H3F2N2"
+142.0179	5107510
+142.02905	689893
+157.03334	10140829	"Theoretical m/z 157.033372, Mass diff 0 (0.2 ppm), SMILES O=C(N)C=1C(F)=CC=CC=1(F), Annotation [C7H5F2NO]+, Rule of HR False"
+158.03662	757438
+
+NAME: Fenobucarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1582
+PRECURSORMZ: 176.0831
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H17NO2
+INCHIKEY: DIRFUJHNVNOBMY-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC(C)C1=CC=CC=C1OC(=O)NC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 15
+77.03851	12413588	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05418	2770657	"Theoretical m/z 79.054228, Mass diff 0 (0.6 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+91.05418	27233766	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05753	2408918
+93.06984	23636872	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.07318	2415164
+103.05415	11250270	"Theoretical m/z 103.054223, Mass diff 0 (0.71 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+107.04906	13986535	"Theoretical m/z 107.049141, Mass diff 0 (-0.76 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05415	3995070	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.04916	2507454	"Theoretical m/z 119.049142, Mass diff 0 (0.15 ppm), SMILES OC1=CC=CC=C1CC, Annotation [C8H10O-3H]+, Rule of HR True"
+121.06467	219477808	"Theoretical m/z 121.064792, Mass diff 0 (1.01 ppm), SMILES OC1=CC=CC=C1CC, Annotation [C8H10O-H]+, Rule of HR True"
+122.06789	19132906
+135.08028	2299688	"Theoretical m/z 135.080448, Mass diff 0 (1.24 ppm), SMILES OC1=CC=CC=C1C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+150.10379	34745016
+151.10715	3701689
+
+NAME: Dioxacarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1872.8
+PRECURSORMZ: 199.16904
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H13NO4
+INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
+INCHI: 
+SMILES: CNC(=O)OC1=CC=CC=C1C2OCCO2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 28
+71.08548	895415	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+73.02837	5156798	"Theoretical m/z 73.028408, Mass diff 0 (0.52 ppm), SMILES O1COCC1, Annotation [C3H6O2-H]+, Rule of HR True"
+76.03072	1214276	"Theoretical m/z 76.030753, Mass diff 0 (0.43 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03852	3093192	"Theoretical m/z 77.038578, Mass diff 0 (0.75 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04636	1087939	"Theoretical m/z 78.046403, Mass diff 0 (0.55 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05418	1180550	"Theoretical m/z 79.054228, Mass diff 0 (0.6 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+85.10112	1315713	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.04404	684152	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+91.05419	1105777	"Theoretical m/z 91.054226, Mass diff 0 (0.39 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.02561	2237749	"Theoretical m/z 92.025664, Mass diff 0 (0.58 ppm), SMILES OC1=CC=CC=C1, Annotation [C6H6O-2H]+, Rule of HR False"
+93.03347	1386509	"Theoretical m/z 93.033489, Mass diff 0 (0.2 ppm), SMILES OC1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+94.04128	4104931	"Theoretical m/z 94.041313, Mass diff 0 (-0.35 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08548	823342	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+104.0256	3619733	"Theoretical m/z 104.025669, Mass diff 0 (0.67 ppm), SMILES OC1=CC=CC=C1C, Annotation [C7H8O-4H]+, Rule of HR False"
+105.03346	2695674	"Theoretical m/z 105.033494, Mass diff 0 (0.33 ppm), SMILES OC1=CC=CC=C1C, Annotation [C7H8O-3H]+, Rule of HR True"
+107.04908	4141914	"Theoretical m/z 107.049141, Mass diff 0 (-0.57 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+120.02057	2257838	"Theoretical m/z 120.020583, Mass diff 0 (0.11 ppm), SMILES O=COC1=CC=CC=C1, Annotation [C7H6O2-2H]+, Rule of HR False"
+121.0283	55113548	"Theoretical m/z 121.028408, Mass diff 0 (0.89 ppm), SMILES O=COC1=CC=CC=C1, Annotation [C7H6O2-H]+, Rule of HR True"
+122.03603	13049357	"Theoretical m/z 122.036233, Mass diff 0 (1.66 ppm), SMILES O=COC1=CC=CC=C1, Annotation [C7H6O2]+, Rule of HR False"
+123.03946	1459704
+135.04392	2120256	"Theoretical m/z 135.044056, Mass diff 0 (1 ppm), SMILES O=COC1=CC=CC=C1C, Annotation [C8H8O2-H]+, Rule of HR True"
+148.05171	1267145	"Theoretical m/z 148.051886, Mass diff 0 (1.19 ppm), SMILES O1CCOC1C=2C=CC=CC=2, Annotation [C9H10O2-2H]+, Rule of HR False"
+149.05963	13398262	"Theoretical m/z 149.059711, Mass diff 0 (0.54 ppm), SMILES O1CCOC1C=2C=CC=CC=2, Annotation [C9H10O2-H]+, Rule of HR True"
+150.06299	1092220
+163.06265	574004	"Theoretical m/z 163.062781, Mass diff 0 (0.8 ppm), SMILES O=C(OC1=CC=CC=C1C)NC, Annotation [C9H11NO2-2H]+, Rule of HR False"
+165.05456	49838276	"Theoretical m/z 165.054626, Mass diff 0 (-0.4 ppm), SMILES COC1=C(OC)C=C(C=C1)[C+]=O, Annotation [C9H9O3]+, Rule of HR True"
+166.06229	17349064	"Theoretical m/z 166.06244, Mass diff 0 (0.9 ppm), SMILES OC1=CC=CC=C1C2OCCO2, Annotation [C9H10O3]+, Rule of HR False"
+167.06552	1508898
+
+NAME: Promecarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1652.7
+PRECURSORMZ: 195.117
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H17NO2
+INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 20
+77.03855	5389458	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05421	4090008	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+91.05421	21675608	"Theoretical m/z 91.054226, Mass diff 0 (0.17 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+103.0542	2566290	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06989	10299226	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04911	5100890	"Theoretical m/z 107.049141, Mass diff 0 (-0.29 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+107.0855	27567084	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+108.08883	3353966
+115.0542	12342703	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.0575	2082300
+117.06982	7053990	"Theoretical m/z 117.069879, Mass diff 0 (0.5 ppm), SMILES C=1C=CC(=CC=1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+119.08553	1834687	"Theoretical m/z 119.085529, Mass diff 0 (0.01 ppm), SMILES C=1C=CC(=CC=1)C(C)C, Annotation [C9H12-H]+, Rule of HR True"
+121.06476	6581492	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+122.07254	13670228	"Theoretical m/z 122.073165, Mass diff 0 (0 ppm), Formula C8H10O"
+133.0648	4368926	"Theoretical m/z 133.064798, Mass diff 0 (0.02 ppm), SMILES OC1=CC=CC(=C1)C(C)C, Annotation [C9H12O-3H]+, Rule of HR True"
+135.08032	165909760	"Theoretical m/z 135.080448, Mass diff 0 (0.95 ppm), SMILES OC1=CC=CC(=C1)C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+136.08368	15962610
+149.09615	1761594	"Theoretical m/z 149.096088, Mass diff 0 (0.42 ppm), SMILES OC1=CC(=CC(=C1)C(C)C)C, Annotation [C10H14O-H]+, Rule of HR True"
+150.10387	89620784
+151.10716	8557540
+
+NAME: Fenoxycarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2487.8
+PRECURSORMZ: 301.13068
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H19NO4
+INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 37
+70.07765	1755769	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.08546	2658790	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+77.0385	11057577	"Theoretical m/z 77.038578, Mass diff 0 (1.01 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04635	2880218	"Theoretical m/z 78.046403, Mass diff 0 (0.68 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+81.06983	2285834	"Theoretical m/z 81.069878, Mass diff 0 (-0.59 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+85.10111	4362068	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+88.03922	140718160	"Theoretical m/z 88.039307, Mass diff 0 (-0.98 ppm), SMILES COC(=O)[CH+]N, Annotation [C3H6NO2]+, Rule of HR True"
+89.04253	5962824
+91.05415	2521729	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+99.11673	1655671	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+109.02835	2983939	"Theoretical m/z 109.028408, Mass diff 0 (0.53 ppm), SMILES OC1=CC=C(O)C=C1, Annotation [C6H6O2-H]+, Rule of HR True"
+109.10112	3025634	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+115.05416	17305354	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.07047	96486752	"Theoretical m/z 116.070606, Mass diff 0 (1.17 ppm), SMILES O=C(OCC)NCC, Annotation [C5H11NO2-H]+, Rule of HR True"
+117.07376	5564396
+120.04428	1720574	"Theoretical m/z 120.044939, Mass diff 0 (0 ppm), Formula C7H6NO"
+128.0619	7984453	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.0697	15824509	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07754	3271760
+131.04901	2605722	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+135.0677	2265663	"Theoretical m/z 135.067862, Mass diff 0 (1.2 ppm), SMILES O(C1=CC=CC=C1)CCN, Annotation [C8H11NO-2H]+, Rule of HR False"
+135.11665	2562884	"Theoretical m/z 135.116821, Mass diff 0 (-1.27 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+139.05406	2998958	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06969	7595348	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+155.06024	1440407
+157.06468	10109855	"Theoretical m/z 157.06534, Mass diff 0 (0 ppm), Formula C11H9O"
+158.07246	13152171
+159.07585	1627390
+168.05681	2081407
+183.08035	2168386	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+185.05962	8958082	"Theoretical m/z 185.059711, Mass diff 0 (0.49 ppm), SMILES OC2=CC=C(OC1=CC=CC=C1)C=C2, Annotation [C12H10O2-H]+, Rule of HR True"
+186.06737	60494452
+187.07071	8388385
+212.08304	2846278	"Theoretical m/z 212.083182, Mass diff 0 (0.67 ppm), SMILES O(C1=CC=CC=C1)C2=CC=C(OCC)C=C2, Annotation [C14H14O2-2H]+, Rule of HR False"
+255.08872	22233370
+256.0975	8685383	"Theoretical m/z 256.09682, Mass diff 0.001 (2.65 ppm), SMILES O=CNCCOC2=CC=C(OC1=CC=CC=C1)C=C2, Annotation [C15H15NO3-H]+, Rule of HR True"
+257.10028	1498082
+
+NAME: Indoxacarb
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3019.3
+PRECURSORMZ: 527.06891
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H17ClF3N3O7
+INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
+INCHI: 
+SMILES: COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 141
+68.99461	534984	"Theoretical m/z 68.994663, Mass diff 0 (0.77 ppm), SMILES FC(F)F, Annotation [CHF3-H]+, Rule of HR True"
+75.0229	801985	"Theoretical m/z 75.022928, Mass diff 0 (0.37 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03855	676292	"Theoretical m/z 77.038578, Mass diff 0 (0.36 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.03384	2076638	"Theoretical m/z 78.034374, Mass diff 0 (0 ppm), Formula C5H4N"
+81.01469	394429	"Theoretical m/z 81.015196, Mass diff 0 (0 ppm), Formula C2H3F2O"
+83.02916	515358	"Theoretical m/z 83.029703, Mass diff 0 (0 ppm), Formula C5H4F"
+86.0236	1072165	"Theoretical m/z 86.024203, Mass diff 0 (0 ppm), Formula C3H4NO2"
+87.02295	768522	"Theoretical m/z 87.022925, Mass diff 0 (0.28 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-5H]+, Rule of HR True"
+88.03931	1742412	"Theoretical m/z 88.039307, Mass diff 0 (0.04 ppm), SMILES COC(=O)[CH+]N, Annotation [C3H6NO2]+, Rule of HR True"
+89.03858	897130	"Theoretical m/z 89.038575, Mass diff 0 (0.05 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.03382	936743	"Theoretical m/z 90.034374, Mass diff 0 (0 ppm), Formula C6H4N"
+95.08553	1214775	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.1012	738796	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+104.06206	1560146	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+106.02876	3721691	"Theoretical m/z 106.029289, Mass diff 0 (0 ppm), Formula C6H4NO"
+113.03852	3197673	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.03384	6353765	"Theoretical m/z 114.034374, Mass diff 0 (0 ppm), Formula C8H4N"
+115.05422	4144096	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06202	2039473	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+120.09335	386268	"Theoretical m/z 120.093701, Mass diff 0 (0 ppm), Formula C4H11FN3"
+122.06001	662275	"Theoretical m/z 122.060589, Mass diff 0 (0 ppm), Formula C7H8NO"
+122.10898	765456	"Theoretical m/z 122.109351, Mass diff 0 (0 ppm), Formula C4H13FN3"
+122.99956	5191512	"Theoretical m/z 122.999605, Mass diff 0 (0.36 ppm), SMILES C=1C=C(C=C(C=1)Cl)C, Annotation [C7H7Cl-3H]+, Rule of HR True"
+123.99477	998405	"Theoretical m/z 123.995402, Mass diff 0 (0 ppm), Formula C6H3ClN"
+124.9966	1806801	"Theoretical m/z 124.996959, Mass diff 0 (0 ppm), Formula C4H4ClF2"
+127.05422	1347870	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.062	2388182	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06981	1236987	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07761	969112	"Theoretical m/z 130.078051, Mass diff 0 (0 ppm), Formula C5H9FN3"
+131.08553	435741	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+132.04431	1548395	"Theoretical m/z 132.044939, Mass diff 0 (0 ppm), Formula C8H6NO"
+134.02362	6956070	"Theoretical m/z 134.024203, Mass diff 0 (0 ppm), Formula C7H4NO2"
+135.02682	549134
+135.0805	554868	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+136.00746	3343267	"Theoretical m/z 136.007778, Mass diff 0 (0 ppm), Formula C3H4ClFN3"
+137.01064	442518
+138.00442	1043980
+139.03096	499155	"Theoretical m/z 139.031453, Mass diff 0 (0 ppm), Formula C8H8Cl"
+140.04939	387672	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+141.0699	408175	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.04141	1453788	"Theoretical m/z 142.041665, Mass diff 0 (0 ppm), Formula C5H5FN3O"
+146.07266	410766	"Theoretical m/z 146.073165, Mass diff 0 (0 ppm), Formula C10H10O"
+146.99956	548044	"Theoretical m/z 146.999602, Mass diff 0 (0.29 ppm), SMILES C1=CC2=C(C=C1Cl)CCC2, Annotation [C9H9Cl-5H]+, Rule of HR True"
+147.06561	617185
+148.0074	2567959	"Theoretical m/z 148.007427, Mass diff 0 (0.19 ppm), SMILES C1=CC2=C(C=C1Cl)CCC2, Annotation [C9H9Cl-4H]+, Rule of HR False"
+149.01534	16674999	"Theoretical m/z 149.015252, Mass diff 0 (0.59 ppm), SMILES C1=CC2=C(C=C1Cl)CCC2, Annotation [C9H9Cl-3H]+, Rule of HR True"
+150.01051	38160012	"Theoretical m/z 150.011052, Mass diff 0 (0 ppm), Formula C8H5ClN"
+151.01256	6002939
+152.00752	11879960	"Theoretical m/z 152.007858, Mass diff 0 (0 ppm), Formula C5H5ClF2N"
+152.01564	404650
+153.0108	1365042
+155.0601	546540	"Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2"
+157.02841	2062293	"Theoretical m/z 157.028954, Mass diff 0 (0 ppm), Formula C10H5O2"
+160.05048	1423102	"Theoretical m/z 160.052429, Mass diff 0.001 (0 ppm), Formula C10H8O2"
+162.01048	3318275	"Theoretical m/z 162.010507, Mass diff 0 (0.17 ppm), SMILES N=C2C=1C=CC(=CC=1CC2)Cl, Annotation [C9H8ClN-3H]+, Rule of HR True"
+162.02309	434160	"Theoretical m/z 162.023428, Mass diff 0 (0 ppm), Formula C5H6ClFN3"
+163.0309	2921033	"Theoretical m/z 163.031453, Mass diff 0 (0 ppm), Formula C10H8Cl"
+164.02611	6301882	"Theoretical m/z 164.026157, Mass diff 0 (0.29 ppm), SMILES N=C2C=1C=CC(=CC=1CC2)Cl, Annotation [C9H8ClN-H]+, Rule of HR True"
+165.03401	7425025	"Theoretical m/z 165.033982, Mass diff 0 (0.17 ppm), SMILES N=C2C=1C=CC(=CC=1CC2)Cl, Annotation [C9H8ClN]+, Rule of HR False"
+166.02318	2415794	"Theoretical m/z 166.023508, Mass diff 0 (0 ppm), Formula C6H7ClF2N"
+166.03754	593597
+167.03108	2200038
+168.02107	507028
+175.02397	1700860	"Theoretical m/z 175.023947, Mass diff 0 (0.13 ppm), SMILES FC(F)(F)OC1=CC=C(N)C=C1, Annotation [C7H6F3NO-2H]+, Rule of HR False"
+176.00235	8018320	"Theoretical m/z 176.002352, Mass diff 0 (0.01 ppm), SMILES O(C)C2CC=1C=CC(=CC=1C2)Cl, Annotation [C10H11ClO-6H]+, Rule of HR False"
+177.01019	6234392	"Theoretical m/z 177.010177, Mass diff 0 (0.08 ppm), SMILES O(C)C2CC=1C=CC(=CC=1C2)Cl, Annotation [C10H11ClO-5H]+, Rule of HR True"
+177.99936	3830269	"Theoretical m/z 177.999499, Mass diff 0 (0 ppm), Formula C2H4ClF3N3O"
+178.02928	429869	"Theoretical m/z 178.026609, Mass diff -0.003 (0 ppm), Formula C9H6O4"
+179.00716	1397919
+179.02582	3824822	"Theoretical m/z 179.025827, Mass diff 0 (0.04 ppm), SMILES O(C)C2CC=1C=CC(=CC=1C2)Cl, Annotation [C10H11ClO-3H]+, Rule of HR True"
+180.0211	1464808	"Theoretical m/z 180.021076, Mass diff 0 (0.13 ppm), SMILES N=C2C=1C=CC(=CC=1CC2(O))Cl, Annotation [C9H8ClNO-H]+, Rule of HR True"
+181.02284	598797
+185.07088	1149448	"Theoretical m/z 185.071488, Mass diff 0 (0 ppm), Formula C11H9N2O"
+188.03177	949468	"Theoretical m/z 188.032088, Mass diff 0 (0 ppm), Formula C7H8O6"
+189.0213	3160180	"Theoretical m/z 189.018784, Mass diff -0.003 (0 ppm), Formula C10H5O4"
+190.04738	6207542	"Theoretical m/z 190.047738, Mass diff 0 (0 ppm), Formula C7H10O6"
+191.01846	1926241
+191.03699	572171	"Theoretical m/z 191.034434, Mass diff -0.003 (0 ppm), Formula C10H7O4"
+192.02101	2847916	"Theoretical m/z 192.021066, Mass diff 0 (0.29 ppm), SMILES N=C2C=1C=CC(=CC=1CC2(OC))Cl, Annotation [C10H10ClNO-3H]+, Rule of HR True"
+193.02902	1624225	"Theoretical m/z 193.028891, Mass diff 0 (0.67 ppm), SMILES N=C2C=1C=CC(=CC=1CC2(OC))Cl, Annotation [C10H10ClNO-2H]+, Rule of HR False"
+194.03671	1325734	"Theoretical m/z 194.036716, Mass diff 0 (0.03 ppm), SMILES N=C2C=1C=CC(=CC=1CC2(OC))Cl, Annotation [C10H10ClNO-H]+, Rule of HR True"
+195.02081	1074764	"Theoretical m/z 195.02074, Mass diff 0 (0.36 ppm), SMILES O=C(O)C2CC=1C=CC(=CC=1C2)Cl, Annotation [C10H9ClO2-H]+, Rule of HR True"
+203.01883	36459584	"Theoretical m/z 203.018866, Mass diff 0 (0.18 ppm), SMILES O=CNC1=CC=C(OC(F)(F)F)C=C1, Annotation [C8H6F3NO2-2H]+, Rule of HR False"
+204.0221	6095560
+205.01642	2622322
+206.0004	1884560	"Theoretical m/z 206.000329, Mass diff 0 (0.34 ppm), SMILES O=C(O)C2C(=N)C=1C=CC(=CC=1C2)Cl, Annotation [C10H8ClNO2-3H]+, Rule of HR True"
+207.02081	7563582	"Theoretical m/z 207.02073, Mass diff 0 (0.38 ppm), SMILES O=C(OC)C2CC=1C=CC(=CC=1C2)Cl, Annotation [C11H11ClO2-3H]+, Rule of HR True"
+208.02388	1057081
+209.01781	2273758	"Theoretical m/z 209.018089, Mass diff 0 (0 ppm), Formula C8H8ClF2O2"
+216.99251	839824	"Theoretical m/z 216.99251, Mass diff 0 (0 ppm), SMILES O=CC2(OC)(C(=N)C=1C=CC(=CC=1C2)Cl), Annotation [C11H10ClNO2-6H]+, Rule of HR False"
+218.04245	27265702	"Theoretical m/z 218.042337, Mass diff 0 (0.52 ppm), SMILES FC(F)(F)OC1=CC=C(C=C1)NCOC, Annotation [C9H10F3NO2-3H]+, Rule of HR True"
+219.03204	9909647	"Theoretical m/z 219.029348, Mass diff -0.003 (0 ppm), Formula C11H7O5"
+220.03467	1044615
+221.0291	3906336	"Theoretical m/z 221.029435, Mass diff 0 (1.52 ppm), SMILES O=C(O)NC1=CC=C(OC(F)(F)F)C=C1, Annotation [C8H6F3NO3]+, Rule of HR False"
+221.04759	1588212	"Theoretical m/z 221.048166, Mass diff 0 (0 ppm), Formula C11H10ClN2O"
+222.03171	3975402	"Theoretical m/z 222.031635, Mass diff 0 (0.34 ppm), SMILES O=C(OC)C2C(=N)C=1C=CC(=CC=1C2)Cl, Annotation [C11H10ClNO2-H]+, Rule of HR True"
+223.01553	2001374	"Theoretical m/z 223.015649, Mass diff 0 (0.53 ppm), SMILES O=C(OC)C2(O)(CC=1C=CC(=CC=1C2)Cl), Annotation [C11H11ClO3-3H]+, Rule of HR True"
+224.02862	1370069	"Theoretical m/z 224.028988, Mass diff 0 (0 ppm), Formula C8H9ClF2NO2"
+230.99562	1142842	"Theoretical m/z 230.99613, Mass diff 0 (0 ppm), Formula C11H4ClN2O2"
+232.00351	13046395	"Theoretical m/z 232.003414, Mass diff 0 (0.41 ppm), SMILES O=CN2N=C3C=1C=CC(=CC=1CC3(OC2))Cl, Annotation [C11H9ClN2O2-4H]+, Rule of HR False"
+233.00546	2611990
+234.00055	3984319	"Theoretical m/z 234.001417, Mass diff 0 (0 ppm), Formula C8H3F3NO4"
+235.04509	9967069	"Theoretical m/z 235.045075, Mass diff 0 (0.06 ppm), SMILES O=C(OC)NC1=CC=C(OC(F)(F)F)C=C1, Annotation [C9H8F3NO3]+, Rule of HR False"
+236.04768	1775063
+237.04246	755503
+238.02618	751260	"Theoretical m/z 238.026554, Mass diff 0 (1.57 ppm), SMILES O=C(OC)C2(O)(C(=N)C=1C=CC(=CC=1C2)Cl), Annotation [C11H10ClNO3-H]+, Rule of HR True"
+245.05328	1847239
+248.0109	1674337	"Theoretical m/z 248.011446, Mass diff 0 (0 ppm), Formula C12H7ClNO3"
+248.98862	383979	"Theoretical m/z 248.988994, Mass diff 0 (0 ppm), Formula C5H5ClF3N2O4"
+250.02661	655709	"Theoretical m/z 250.026544, Mass diff 0 (0.26 ppm), SMILES O=C(OC)C2(OC)(C(=N)C=1C=CC(=CC=1C2)Cl), Annotation [C12H12ClNO3-3H]+, Rule of HR True"
+252.04179	430593	"Theoretical m/z 252.042194, Mass diff 0 (1.6 ppm), SMILES O=C(OC)C2(OC)(C(=N)C=1C=CC(=CC=1C2)Cl), Annotation [C12H12ClNO3-H]+, Rule of HR True"
+259.99835	943565	"Theoretical m/z 259.998333, Mass diff 0 (0.06 ppm), SMILES O=CN2N=C3C=1C=CC(=CC=1CC3(OC2)(C=O))Cl, Annotation [C12H9ClN2O3-4H]+, Rule of HR False"
+261.04822	1063463	"Theoretical m/z 261.048145, Mass diff 0 (0.29 ppm), SMILES O=CN(C(=O)NC)C1=CC=C(OC(F)(F)F)C=C1, Annotation [C10H9F3N2O3-H]+, Rule of HR True"
+261.99545	611612	"Theoretical m/z 261.996332, Mass diff 0 (0 ppm), Formula C9H3F3NO5"
+262.03207	396742	"Theoretical m/z 262.032184, Mass diff 0 (0.44 ppm), SMILES O=CN(C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1, Annotation [C10H8F3NO4-H]+, Rule of HR True"
+263.02188	2271992	"Theoretical m/z 263.021808, Mass diff 0 (0.27 ppm), SMILES O=CN2N=C3C=1C=CC(=CC=1CC3(OC2)(C=O))Cl, Annotation [C12H9ClN2O3-H]+, Rule of HR True"
+264.02966	15966383	"Theoretical m/z 264.029608, Mass diff 0 (0.2 ppm), SMILES O=C(OC)C23(OCNN=C3(C=1C=CC(=CC=1C2)Cl)), Annotation [C12H11ClN2O3-2H]+, Rule of HR False"
+265.01987	714166	"Theoretical m/z 265.020294, Mass diff 0 (0 ppm), Formula C6H9ClF3N2O4"
+265.03754	3392924
+266.0267	4981454	"Theoretical m/z 266.027632, Mass diff 0 (0 ppm), Formula C9H7F3NO5"
+266.99908	783587	"Theoretical m/z 266.999559, Mass diff 0 (0 ppm), Formula C5H7ClF3N2O5"
+278.06351	779103	"Theoretical m/z 278.064017, Mass diff 0 (0 ppm), Formula C11H11F3NO4"
+279.05914	1286307	"Theoretical m/z 279.058729, Mass diff 0 (1.47 ppm), SMILES O=C(OC)N(C(=O)N)C1=CC=C(OC(F)(F)F)C=C1, Annotation [C10H9F3N2O4+H]+, Rule of HR True"
+289.04303	4372278	"Theoretical m/z 289.043084, Mass diff 0 (0.19 ppm), SMILES O=C(OC)N(C(=O)NC)C1=CC=C(OC(F)(F)F)C=C1, Annotation [C11H11F3N2O4-3H]+, Rule of HR True"
+290.04575	493354
+321.0693	4941843	"Theoretical m/z 321.069831, Mass diff 0 (0 ppm), Formula C12H12F3N2O5"
+322.07318	588946
+357.04806	474871	"Theoretical m/z 357.048702, Mass diff 0 (0 ppm), Formula C18H8F3N2O3"
+366.03793	3767676	"Theoretical m/z 366.038054, Mass diff 0 (0 ppm), Formula C16H13ClNO7"
+367.04187	717367
+368.03458	1121896
+424.04294	459488	"Theoretical m/z 424.043282, Mass diff 0 (0 ppm), Formula C22H9F3NO5"
+468.05713	2012242	"Theoretical m/z 468.056873, Mass diff 0 (0.55 ppm), SMILES O=C(OC)C23(OCN(N=C3(C=1C=CC(=CC=1C2)Cl))C(=O)NC4=CC=C(OC(F)(F)F)C=C4), Annotation [C20H15ClF3N3O5-H]+, Rule of HR True"
+469.06088	421565
+470.05493	611706	"Theoretical m/z 470.055516, Mass diff 0 (0 ppm), Formula C22H14ClFN3O6"
+499.07523	4223521
+500.07913	956473
+501.0719	1360289
+527.06891	2237542	"Theoretical m/z 527.070179, Mass diff 0.001 (2.41 ppm), SMILES O=C(OC)N(C(=O)N2N=CC=1C=CC(=CC=1CC(OC2)C(=O)OC)Cl)C3=CC=C(OC(F)(F)F)C=C3, Annotation [C22H18ClF3N3O7-H]+, Rule of HR True"
+528.07196	522505
+529.06592	697506
+
+NAME: Iprovalicarb isomer 1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2168.3
+PRECURSORMZ: 320.98038
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H28N2O3
+INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
+INCHI: 
+SMILES: CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 34
+72.08074	14519205	"Theoretical m/z 72.080772, Mass diff 0 (-0.45 ppm), SMILES CC=[N+](C)C, Annotation [C4H10N]+, Rule of HR True"
+73.08411	697146
+77.03855	1837176	"Theoretical m/z 77.038578, Mass diff 0 (0.36 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04641	742947	"Theoretical m/z 78.046403, Mass diff 0 (0.09 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05423	695481	"Theoretical m/z 79.054228, Mass diff 0 (0.03 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+91.05422	14242220	"Theoretical m/z 91.054226, Mass diff 0 (0.06 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05756	1252655
+93.06991	2146614	"Theoretical m/z 93.069876, Mass diff 0 (0.37 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+98.06003	28330892	"Theoretical m/z 98.060037, Mass diff 0 (0.07 ppm), SMILES O=C(N)CC(C)C, Annotation [C5H11NO-3H]+, Rule of HR True"
+99.06335	1647170
+102.04642	772286	"Theoretical m/z 102.046398, Mass diff 0 (0.21 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-4H]+, Rule of HR False"
+103.0542	1188774	"Theoretical m/z 103.054223, Mass diff 0 (0.23 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-3H]+, Rule of HR True"
+104.06201	1082611	"Theoretical m/z 104.062048, Mass diff 0 (0.37 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-2H]+, Rule of HR False"
+105.06988	815744	"Theoretical m/z 105.069873, Mass diff 0 (0.06 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-H]+, Rule of HR True"
+114.12777	1750228	"Theoretical m/z 114.128275, Mass diff 0 (0 ppm), Formula C7H16N"
+115.05428	5741236	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+115.08665	743835	"Theoretical m/z 115.086589, Mass diff 0 (0.53 ppm), SMILES O=C(N)C(N)C(C)C, Annotation [C5H12N2O-H]+, Rule of HR True"
+116.07058	63979284	"Theoretical m/z 116.070606, Mass diff 0 (0.22 ppm), SMILES O=C(OC(C)C)NC, Annotation [C5H11NO2-H]+, Rule of HR True"
+117.06981	14891238	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.06505	5768904
+119.08548	32577108	"Theoretical m/z 119.085529, Mass diff 0 (0.41 ppm), SMILES C=1C=C(C=CC=1C)CC, Annotation [C9H12-H]+, Rule of HR True"
+120.08071	8414821	"Theoretical m/z 120.080776, Mass diff 0 (0.55 ppm), SMILES NCC1=CC=C(C=C1)C, Annotation [C8H11N-H]+, Rule of HR True"
+133.08855	778963	"Theoretical m/z 133.088599, Mass diff 0 (0.37 ppm), SMILES NC(C1=CC=C(C=C1)C)C, Annotation [C9H13N-2H]+, Rule of HR False"
+134.09634	64237244	"Theoretical m/z 134.096424, Mass diff 0 (0.62 ppm), SMILES NC(C1=CC=C(C=C1)C)C, Annotation [C9H13N-H]+, Rule of HR True"
+135.09962	6608832
+143.08147	1694330	"Theoretical m/z 143.081501, Mass diff 0 (0.21 ppm), SMILES O=CNC(C(=O)N)C(C)C, Annotation [C6H12N2O2-H]+, Rule of HR True"
+144.06549	743789	"Theoretical m/z 144.065525, Mass diff 0 (0.24 ppm), SMILES O=CCNC(=O)OC(C)C, Annotation [C6H11NO3-H]+, Rule of HR True"
+146.05998	3150845	"Theoretical m/z 146.060037, Mass diff 0 (0.39 ppm), SMILES O=CNCC1=CC=C(C=C1)C, Annotation [C9H11NO-3H]+, Rule of HR True"
+158.11757	6384783	"Theoretical m/z 158.117557, Mass diff 0 (0.08 ppm), SMILES O=C(OC(C)C)NCC(C)C, Annotation [C8H17NO2-H]+, Rule of HR True"
+159.12086	866015
+160.07564	925321	"Theoretical m/z 160.076239, Mass diff 0 (0 ppm), Formula C10H10NO"
+174.09135	1944117	"Theoretical m/z 174.091333, Mass diff 0 (0.1 ppm), SMILES O=C(NC(C1=CC=C(C=C1)C)C)C, Annotation [C11H15NO-3H]+, Rule of HR True"
+202.12257	1851965	"Theoretical m/z 202.122644, Mass diff 0 (0.37 ppm), SMILES O=C(NCC1=CC=C(C=C1)C)CC(C)C, Annotation [C13H19NO-3H]+, Rule of HR True"
+217.14609	684693
+
+NAME: Ametryn
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1892
+PRECURSORMZ: 227.1199
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H17N5S
+INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCNC1=NC(=NC(=N1)SC)NC(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 65
+68.02433	9808235	"Theoretical m/z 68.024322, Mass diff 0 (0.12 ppm), SMILES N=C(N)NC, Annotation [C2H7N3-5H]+, Rule of HR True"
+69.0447	4078254	"Theoretical m/z 69.044725, Mass diff 0 (0.36 ppm), SMILES N=CNCC, Annotation [C3H8N2-3H]+, Rule of HR True"
+71.06036	3759593	"Theoretical m/z 71.060375, Mass diff 0 (0.21 ppm), SMILES N=CNCC, Annotation [C3H8N2-H]+, Rule of HR True"
+74.00588	3833089	"Theoretical m/z 74.005893, Mass diff 0 (0.18 ppm), SMILES N=CSC, Annotation [C2H5NS-H]+, Rule of HR True"
+84.9855	5145961	"Theoretical m/z 84.986044, Mass diff 0 (0 ppm), Formula C2HN2S"
+85.10119	1885945	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+93.01962	2618563	"Theoretical m/z 93.020121, Mass diff 0 (0 ppm), Formula C3HN4"
+94.04	6076424	"Theoretical m/z 94.039969, Mass diff 0 (0.32 ppm), SMILES N=C(N=C)NCC, Annotation [C4H9N3-5H]+, Rule of HR True"
+95.03523	1799436	"Theoretical m/z 95.035771, Mass diff 0 (0 ppm), Formula C3H3N4"
+95.08554	1709399	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+96.05562	9752288	"Theoretical m/z 96.05562, Mass diff 0 (0 ppm), SMILES N=C(N=C)NCC, Annotation [C4H9N3-3H]+, Rule of HR True"
+97.07609	2119226	"Theoretical m/z 97.076021, Mass diff 0 (0.72 ppm), SMILES N(=CNC(C)C)C, Annotation [C5H12N2-3H]+, Rule of HR True"
+97.1012	1281999	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+98.53622	6570441
+99.00115	3492720	"Theoretical m/z 99.001146, Mass diff 0 (0.04 ppm), SMILES N=CN=CSC, Annotation [C3H6N2S-3H]+, Rule of HR True"
+100.00895	2233796
+102.01203	1403994	"Theoretical m/z 102.012593, Mass diff 0 (0 ppm), Formula C2H4N3S"
+110.0713	3731134	"Theoretical m/z 110.071275, Mass diff 0 (0.23 ppm), SMILES N=CN=CNC(C)C, Annotation [C5H11N3-3H]+, Rule of HR True"
+111.05395	9167422
+112.06174	1730160	"Theoretical m/z 112.06232, Mass diff 0 (0 ppm), Formula C3H6N5"
+116.0277	2250302	"Theoretical m/z 116.027691, Mass diff 0 (0.08 ppm), SMILES N=C(N=CSC)N, Annotation [C3H7N3S-H]+, Rule of HR True"
+117.04807	6287110	"Theoretical m/z 117.048092, Mass diff 0 (0.18 ppm), SMILES N(=CS)CNCC, Annotation [C4H10N2S-H]+, Rule of HR True"
+122.07124	10020911	"Theoretical m/z 122.071822, Mass diff 0 (0 ppm), Formula C6H8N3"
+123.06644	3065939	"Theoretical m/z 123.066524, Mass diff 0 (0.68 ppm), SMILES N1=CN=C(N=C1)NCC, Annotation [C5H8N4-H]+, Rule of HR True"
+127.00727	2391524	"Theoretical m/z 127.007293, Mass diff 0 (0.18 ppm), SMILES N=C(N=C(N)SC)N, Annotation [C3H8N4S-5H]+, Rule of HR True"
+128.02766	4312759	"Theoretical m/z 128.027693, Mass diff 0 (0.26 ppm), SMILES N=1C=NC(=NC=1)SC, Annotation [C4H5N3S+H]+, Rule of HR True"
+136.08691	1872683	"Theoretical m/z 136.087472, Mass diff 0 (0 ppm), Formula C7H10N3"
+137.08215	2509885	"Theoretical m/z 137.082172, Mass diff 0 (0.16 ppm), SMILES N=1C=NC(=NC=1)NC(C)C, Annotation [C6H10N4-H]+, Rule of HR True"
+138.07742	7687838	"Theoretical m/z 138.077427, Mass diff 0 (0.05 ppm), SMILES N=1C=NC(=NC=1N)NCC, Annotation [C5H9N5-H]+, Rule of HR True"
+139.08522	3917580
+140.09297	1770742	"Theoretical m/z 140.093077, Mass diff 0 (0.76 ppm), SMILES N=1C=NC(=NC=1N)NCC, Annotation [C5H9N5+H]+, Rule of HR True"
+141.02287	1683334	"Theoretical m/z 141.022937, Mass diff 0 (0.48 ppm), SMILES N=1C=NC(=NC=1N)SC, Annotation [C4H6N4S-H]+, Rule of HR True"
+142.04338	6155572	"Theoretical m/z 142.043344, Mass diff 0 (0.25 ppm), SMILES N=C(N=CSC)NCC, Annotation [C5H11N3S-3H]+, Rule of HR True"
+144.05907	1841127	"Theoretical m/z 144.058994, Mass diff 0 (0.53 ppm), SMILES N=C(N=CSC)NCC, Annotation [C5H11N3S-H]+, Rule of HR True"
+152.02768	2076616	"Theoretical m/z 152.028243, Mass diff 0 (0 ppm), Formula C6H6N3S"
+152.09306	8828590	"Theoretical m/z 152.093067, Mass diff 0 (0.04 ppm), SMILES N1=CN=C(N=C1N)NC(C)C, Annotation [C6H11N5-H]+, Rule of HR True"
+153.02289	1943011	"Theoretical m/z 153.022943, Mass diff 0 (0.35 ppm), SMILES N=1C=NC(=NC=1NCC)S, Annotation [C5H8N4S-3H]+, Rule of HR True"
+153.1134	1270656	"Theoretical m/z 153.113473, Mass diff 0 (0.48 ppm), SMILES N=C(N=CNCC)NC(C)C, Annotation [C7H16N4-3H]+, Rule of HR True"
+155.03853	17006082	"Theoretical m/z 155.038593, Mass diff 0 (0.41 ppm), SMILES N=1C=NC(=NC=1NCC)S, Annotation [C5H8N4S-H]+, Rule of HR True"
+156.03374	6285249	"Theoretical m/z 156.033847, Mass diff 0 (0.69 ppm), SMILES N=1C(=NC(=NC=1N)SC)N, Annotation [C4H7N5S-H]+, Rule of HR True"
+157.04167	6153612
+166.10879	2167673	"Theoretical m/z 166.108722, Mass diff 0 (0.41 ppm), SMILES N1=CN=C(N=C1NC)NC(C)C, Annotation [C7H13N5-H]+, Rule of HR True"
+168.088	1748061	"Theoretical m/z 168.084695, Mass diff -0.004 (0 ppm), Formula C9H14NS"
+169.05429	7990112	"Theoretical m/z 169.054248, Mass diff 0 (0.25 ppm), SMILES N=1C=NC(=NC=1NCC)SC, Annotation [C6H10N4S-H]+, Rule of HR True"
+170.04948	50233000	"Theoretical m/z 170.049488, Mass diff 0 (0.05 ppm), SMILES N=1C(=NC(=NC=1NCC)S)N, Annotation [C5H9N5S-H]+, Rule of HR True"
+171.06981	10662595	"Theoretical m/z 171.069899, Mass diff 0 (0.52 ppm), SMILES N=1C=NC(=NC=1NCC)SC, Annotation [C6H10N4S+H]+, Rule of HR True"
+172.04526	2664676
+181.13219	2167730
+182.04959	1668567	"Theoretical m/z 182.049493, Mass diff 0 (0.53 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)N, Annotation [C6H11N5S-3H]+, Rule of HR True"
+184.06522	25295068	"Theoretical m/z 184.065143, Mass diff 0 (0.42 ppm), SMILES N=1C(=NC(=NC=1NCC)SC)N, Annotation [C6H11N5S-H]+, Rule of HR True"
+185.07297	40896188
+186.07631	4035499
+187.06874	1815347
+194.14006	2668936	"Theoretical m/z 194.140571, Mass diff 0 (0 ppm), Formula C9H16N5"
+196.06517	1701454	"Theoretical m/z 196.065133, Mass diff 0 (0.19 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)NC, Annotation [C7H13N5S-3H]+, Rule of HR True"
+199.08858	3224344
+210.08073	2327735	"Theoretical m/z 210.081341, Mass diff 0 (0 ppm), Formula C8H12N5S"
+212.09642	86638008	"Theoretical m/z 212.096439, Mass diff 0 (0.09 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)NCC, Annotation [C8H15N5S-H]+, Rule of HR True"
+213.09966	7856254
+214.09215	4013275
+224.15065	1275124
+226.11214	9716749	"Theoretical m/z 226.112642, Mass diff 0 (0 ppm), Formula C9H16N5S"
+227.11986	118700784	"Theoretical m/z 227.11992, Mass diff 0 (0.26 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)NCC, Annotation [C9H17N5S]+, Rule of HR False"
+228.12334	13148933
+229.11568	5594496
+
+NAME: Azoxystrobin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3076.1
+PRECURSORMZ: 403.11612
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C22H17N3O5
+INCHIKEY: WFDXOXNFNRHQEC-GHRIWEEISA-N
+INCHI: 
+SMILES: COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 59
+75.02294	2466661	"Theoretical m/z 75.022928, Mass diff 0 (0.17 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03854	2049972	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+83.08547	1249187	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+89.03854	2287948	"Theoretical m/z 89.038575, Mass diff 0 (0.4 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.0464	924740	"Theoretical m/z 90.046401, Mass diff 0 (0.01 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-2H]+, Rule of HR False"
+95.0855	1271423	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+102.03373	1162158	"Theoretical m/z 102.033825, Mass diff 0 (0.93 ppm), SMILES N#CC=1C=CC=CC=1, Annotation [C7H5N-H]+, Rule of HR True"
+103.05418	1010422	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06196	932925	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06987	978842	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+114.03381	1308682	"Theoretical m/z 114.034374, Mass diff 0 (0 ppm), Formula C8H4N"
+115.0542	907024	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04939	1027203	"Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N"
+128.04935	1014312	"Theoretical m/z 128.050024, Mass diff 0 (0 ppm), Formula C9H6N"
+129.04462	2786119	"Theoretical m/z 129.045273, Mass diff 0 (0 ppm), Formula C8H5N2"
+130.03984	2875410
+133.02832	2291071	"Theoretical m/z 133.028954, Mass diff 0 (0 ppm), Formula C8H5O2"
+133.10109	2413037	"Theoretical m/z 133.101725, Mass diff 0 (0 ppm), Formula C10H13"
+144.04436	1735877	"Theoretical m/z 144.044391, Mass diff 0 (0.22 ppm), SMILES N#CC1=CC=CC=C1(OC=C), Annotation [C9H7NO-H]+, Rule of HR True"
+145.02834	2750068	"Theoretical m/z 145.028954, Mass diff 0 (0 ppm), Formula C9H5O2"
+147.04398	1037474	"Theoretical m/z 147.044061, Mass diff 0 (0.55 ppm), SMILES OC1=CC=CC=C1(C=COC), Annotation [C9H10O2-3H]+, Rule of HR True"
+147.11668	1044047	"Theoretical m/z 147.117375, Mass diff 0 (0 ppm), Formula C11H15"
+156.04422	1568908	"Theoretical m/z 156.044397, Mass diff 0 (1.13 ppm), SMILES N#CC1=CC=CC=C1(OC=CC), Annotation [C10H9NO-3H]+, Rule of HR True"
+171.05507	900727	"Theoretical m/z 171.055286, Mass diff 0 (1.26 ppm), SMILES N2=CN=C(OC=1C=CC=CC=1)C=C2, Annotation [C10H8N2O-H]+, Rule of HR True"
+172.03918	7931940	"Theoretical m/z 172.039306, Mass diff 0 (0.73 ppm), SMILES N=COC1=CC=CC=C1(C=COC), Annotation [C10H11NO2-5H]+, Rule of HR True"
+173.04269	970708
+176.04671	1090601	"Theoretical m/z 176.04679, Mass diff 0 (0.45 ppm), SMILES O=C(O)C(=COC)C=1C=CC=CC=1, Annotation [C10H10O3-2H]+, Rule of HR False"
+187.05011	1025108	"Theoretical m/z 187.050205, Mass diff 0 (0.51 ppm), SMILES OC=2N=CN=C(OC=1C=CC=CC=1)C=2, Annotation [C10H8N2O2-H]+, Rule of HR True"
+191.07014	4876508	"Theoretical m/z 191.07027, Mass diff 0 (0.68 ppm), SMILES O=C(OC)C(=COC)C=1C=CC=CC=1, Annotation [C11H12O3-H]+, Rule of HR True"
+195.05528	904446	"Theoretical m/z 195.055838, Mass diff 0 (0 ppm), Formula C12H7N2O"
+200.03412	1194517	"Theoretical m/z 200.034225, Mass diff 0 (0.52 ppm), SMILES O=CC(=COC)C1=CC=CC=C1(OC=N), Annotation [C11H11NO3-5H]+, Rule of HR True"
+201.04196	973990	"Theoretical m/z 201.04205, Mass diff 0 (0.45 ppm), SMILES O=CC(=COC)C1=CC=CC=C1(OC=N), Annotation [C11H11NO3-4H]+, Rule of HR False"
+210.04224	1336629	"Theoretical m/z 210.040247, Mass diff -0.003 (0 ppm), Formula C9H8NO5"
+216.06543	1954735	"Theoretical m/z 216.065515, Mass diff 0 (0.39 ppm), SMILES O=CC(=COC)C1=CC=CC=C1(OC(=N)C), Annotation [C12H13NO3-3H]+, Rule of HR True"
+229.06074	3743143	"Theoretical m/z 229.060769, Mass diff 0 (0.13 ppm), SMILES O=CC(=COC)C1=CC=CC=C1(OC=NC=N), Annotation [C12H12N2O3-3H]+, Rule of HR True"
+253.06059	3674686	"Theoretical m/z 253.060754, Mass diff 0 (0.65 ppm), SMILES O=CC(=COC)C2=CC=CC=C2(OC1=NC=NC=C1), Annotation [C14H12N2O3-3H]+, Rule of HR True"
+272.0817	890855
+273.06576	2007506	"Theoretical m/z 273.065856, Mass diff 0 (0.35 ppm), SMILES N#CC2=CC=CC=C2(OC(N=C)=CCOC=1C=CC=CC=1), Annotation [C17H14N2O2-5H]+, Rule of HR True"
+288.07666	1016603	"Theoretical m/z 288.07674, Mass diff 0 (0.28 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC=1C=CC=CC=1)C=2), Annotation [C17H11N3O2-H]+, Rule of HR True"
+300.07663	7335414	"Theoretical m/z 300.076745, Mass diff 0 (0.38 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1C)C=2), Annotation [C18H13N3O2-3H]+, Rule of HR True"
+301.0853	4271009
+312.07681	1148153	"Theoretical m/z 312.076745, Mass diff 0 (0.21 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1(C=C))C=2), Annotation [C19H13N3O2-3H]+, Rule of HR True"
+314.0921	2453426	"Theoretical m/z 314.092395, Mass diff 0 (0.94 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1(C=C))C=2), Annotation [C19H13N3O2-H]+, Rule of HR True"
+328.07147	7575222	"Theoretical m/z 328.071679, Mass diff 0 (0.64 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1CC=O)C=2), Annotation [C19H13N3O3-3H]+, Rule of HR True"
+329.07947	4181228
+330.08286	3101242
+340.07129	858711	"Theoretical m/z 340.071679, Mass diff 0 (1.15 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1C(=C)C=O)C=2), Annotation [C20H13N3O3-3H]+, Rule of HR True"
+344.1029	82633208	"Theoretical m/z 344.102955, Mass diff 0 (0.16 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1(C=COC))C=2), Annotation [C20H15N3O3-H]+, Rule of HR True"
+345.10632	24169088
+346.10928	3387674
+356.06644	1764249	"Theoretical m/z 356.066583, Mass diff 0 (0.4 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1C(C=O)=CO)C=2), Annotation [C20H13N3O4-3H]+, Rule of HR True"
+359.09009	1066460	"Theoretical m/z 359.090064, Mass diff 0 (0.07 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1CC(=O)OC)C=2), Annotation [C20H15N3O4-2H]+, Rule of HR False"
+360.09766	10727462	"Theoretical m/z 360.097889, Mass diff 0 (0.63 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1CC(=O)OC)C=2), Annotation [C20H15N3O4-H]+, Rule of HR True"
+361.10132	2342812
+372.09781	9837391	"Theoretical m/z 372.097889, Mass diff 0 (0.21 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1C(C=O)=COC)C=2), Annotation [C21H15N3O4-H]+, Rule of HR True"
+373.10117	2189120
+388.09259	21474178	"Theoretical m/z 388.092792, Mass diff 0 (0.52 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1C(=COC)C(=O)O)C=2), Annotation [C21H15N3O5-H]+, Rule of HR True"
+389.0961	4750262
+403.11612	1865863	"Theoretical m/z 403.116273, Mass diff 0 (0.38 ppm), SMILES N#CC3=CC=CC=C3(OC=2N=CN=C(OC1=CC=CC=C1C(=COC)C(=O)OC)C=2), Annotation [C22H17N3O5]+, Rule of HR False"
+
+NAME: Benalaxyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2388.6
+PRECURSORMZ: 325.16748
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H23NO3
+INCHIKEY: CJPQIRJHIZUAQP-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 33
+77.0386	4873046	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05426	6871117	"Theoretical m/z 79.054228, Mass diff 0 (0.41 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+91.05426	53594916	"Theoretical m/z 91.054226, Mass diff 0 (0.38 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05759	4553482
+103.05426	2745110	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06994	7109329	"Theoretical m/z 105.069873, Mass diff 0 (0.63 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+117.05731	13558197	"Theoretical m/z 117.057301, Mass diff 0 (0.08 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-4H]+, Rule of HR False"
+118.0651	8048281	"Theoretical m/z 118.065126, Mass diff 0 (0.22 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-3H]+, Rule of HR True"
+120.08077	2906964	"Theoretical m/z 120.080776, Mass diff 0 (0.05 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-H]+, Rule of HR True"
+121.10119	7816492	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+132.08078	14732305	"Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N"
+133.08859	6282428	"Theoretical m/z 133.089149, Mass diff 0 (0 ppm), Formula C9H11N"
+146.09651	11727684	"Theoretical m/z 146.096429, Mass diff 0 (0.55 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-3H]+, Rule of HR True"
+147.10436	8219070	"Theoretical m/z 147.104254, Mass diff 0 (0.72 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-2H]+, Rule of HR False"
+148.11203	242091696	"Theoretical m/z 148.112079, Mass diff 0 (0.33 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-H]+, Rule of HR True"
+149.11537	26461248
+162.12775	5650417	"Theoretical m/z 162.128275, Mass diff 0 (0 ppm), Formula C11H16N"
+174.09148	12331762	"Theoretical m/z 174.091333, Mass diff 0 (0.85 ppm), SMILES O=CC(NC1=C(C=CC=C1C)C)C, Annotation [C11H15NO-3H]+, Rule of HR True"
+176.10707	61905332	"Theoretical m/z 176.106983, Mass diff 0 (0.5 ppm), SMILES O=CC(NC1=C(C=CC=C1C)C)C, Annotation [C11H15NO-H]+, Rule of HR True"
+177.11034	7250766
+202.08633	12635361	"Theoretical m/z 202.086252, Mass diff 0 (0.39 ppm), SMILES O=CN(C1=C(C=CC=C1C)C)C(C=O)C, Annotation [C12H15NO2-3H]+, Rule of HR True"
+204.10211	29720764	"Theoretical m/z 204.101902, Mass diff 0 (1.02 ppm), SMILES O=CN(C1=C(C=CC=C1C)C)C(C=O)C, Annotation [C12H15NO2-H]+, Rule of HR True"
+205.10539	3782631
+206.11768	51674160	"Theoretical m/z 206.117557, Mass diff 0 (0.6 ppm), SMILES O=C(OC)C(NC1=C(C=CC=C1C)C)C, Annotation [C12H17NO2-H]+, Rule of HR True"
+207.12549	27718816	"Theoretical m/z 207.125382, Mass diff 0 (0.52 ppm), SMILES O=C(OC)C(NC1=C(C=CC=C1C)C)C, Annotation [C12H17NO2]+, Rule of HR False"
+208.12889	3976375
+234.11256	24516968	"Theoretical m/z 234.112476, Mass diff 0 (0.36 ppm), SMILES O=CN(C1=C(C=CC=C1C)C)C(C(=O)OC)C, Annotation [C13H17NO3-H]+, Rule of HR True"
+235.11583	3156373
+239.13057	2606493
+266.15402	25079834	"Theoretical m/z 266.153949, Mass diff 0 (0.27 ppm), SMILES O=C(N(C1=C(C=CC=C1C)C)CC)CC2=CC=CC=C2, Annotation [C18H21NO-H]+, Rule of HR True"
+267.15729	5023788
+293.14099	8124682
+325.16748	2926786	"Theoretical m/z 325.167237, Mass diff 0 (0.75 ppm), SMILES O=C(OC)C(N(C(=O)CC1=CC=CC=C1)C=2C(=CC=CC=2C)C)C, Annotation [C20H23NO3]+, Rule of HR False"
+
+NAME: Benzoximate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1925.6
+PRECURSORMZ: 344.98682
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H18ClNO5
+INCHIKEY: BZMIHNKNQJJVRO-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCON=C(C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 35
+75.0229	105276	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03854	115672	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+112.97878	243911	"Theoretical m/z 112.979417, Mass diff 0 (0 ppm), Formula C5H2ClO"
+115.03894	86385	"Theoretical m/z 115.039519, Mass diff 0 (0 ppm), Formula C5H7O3"
+125.98657	190933
+126.06742	185089	"Theoretical m/z 126.06808, Mass diff 0 (0 ppm), Formula C7H10O2"
+126.98189	107607	"Theoretical m/z 126.979811, Mass diff -0.003 (0 ppm), Formula C2H4ClO4"
+127.98357	108224
+140.97365	843914	"Theoretical m/z 140.974332, Mass diff 0 (0 ppm), Formula C6H2ClO2"
+142.00543	145901	"Theoretical m/z 142.005966, Mass diff 0 (0 ppm), Formula C6H5ClNO"
+142.97075	359197	"Theoretical m/z 142.968853, Mass diff -0.002 (0 ppm), Formula C9Cl"
+143.00711	114246
+143.08543	133841	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+149.02327	106995	"Theoretical m/z 149.023869, Mass diff 0 (0 ppm), Formula C8H5O3"
+154.00532	92075	"Theoretical m/z 154.005966, Mass diff 0 (0 ppm), Formula C7H5ClNO"
+154.98924	199219	"Theoretical m/z 154.989435, Mass diff 0 (1.26 ppm), SMILES OC=1C=C(OC)C=CC=1Cl, Annotation [C7H7ClO2-3H]+, Rule of HR True"
+155.06024	224072	"Theoretical m/z 155.062753, Mass diff 0.002 (0 ppm), Formula C9H12Cl"
+155.99707	227109	"Theoretical m/z 155.99726, Mass diff 0 (1.22 ppm), SMILES OC=1C=C(OC)C=CC=1Cl, Annotation [C7H7ClO2-2H]+, Rule of HR False"
+156.98637	84265	"Theoretical m/z 156.984503, Mass diff -0.002 (0 ppm), Formula C10H2Cl"
+169.00502	198272	"Theoretical m/z 169.005632, Mass diff 0 (0 ppm), Formula C8H6ClO2"
+170.00023	296423	"Theoretical m/z 170.000881, Mass diff 0 (0 ppm), Formula C7H5ClNO2"
+179.00096	473982	"Theoretical m/z 178.998048, Mass diff -0.003 (0 ppm), Formula C8H3O5"
+183.99214	2800772	"Theoretical m/z 183.994915, Mass diff 0.002 (0 ppm), Formula C14O"
+184.99551	323424
+185.98914	841734
+194.99594	192031
+196.98486	184802	"Theoretical m/z 196.987484, Mass diff 0.002 (0 ppm), Formula C11HO4"
+197.02367	117201	"Theoretical m/z 197.02381, Mass diff 0 (0.71 ppm), SMILES N=CC1=C(OC)C=CC(=C1(OC))Cl, Annotation [C9H10ClNO2-2H]+, Rule of HR False"
+197.99528	174846	"Theoretical m/z 197.995796, Mass diff 0 (0 ppm), Formula C8H5ClNO3"
+199.01553	8251376	"Theoretical m/z 199.015649, Mass diff 0 (0.6 ppm), SMILES OCC1=C(OC)C=CC(=C1(OC))Cl, Annotation [C9H11ClO3-3H]+, Rule of HR True"
+200.01884	840337
+201.01256	2591049	"Theoretical m/z 201.010717, Mass diff -0.002 (0 ppm), Formula C12H6ClO"
+202.01592	292766
+213.01862	160831	"Theoretical m/z 213.018729, Mass diff 0 (0.51 ppm), SMILES N=C(O)C1=C(OC)C=CC(=C1(OC))Cl, Annotation [C9H10ClNO3-2H]+, Rule of HR False"
+291.12601	97188	"Theoretical m/z 291.123249, Mass diff -0.003 (0 ppm), Formula C16H19O5"
+
+NAME: Boscalid
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2830.2
+PRECURSORMZ: 342.03207
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H12Cl2N2O
+INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 46
+76.01814	10582415	"Theoretical m/z 76.018174, Mass diff 0 (0.45 ppm), SMILES N=1C=CC=CC=1, Annotation [C5H5N-3H]+, Rule of HR True"
+84.98389	1935522	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+87.02291	1737018	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+94.02873	7383369	"Theoretical m/z 94.029289, Mass diff 0 (0 ppm), Formula C5H4NO"
+95.08548	1824911	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+111.11678	1579215
+111.99476	41749140	"Theoretical m/z 111.994854, Mass diff 0 (0.84 ppm), SMILES N1=CC=CC=C1Cl, Annotation [C5H4ClN-H]+, Rule of HR True"
+112.99812	5925957
+113.99184	16379348
+114.04636	1426646
+115.05416	1645781	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+130.00532	1967671	"Theoretical m/z 130.005966, Mass diff 0 (0 ppm), Formula C5H5ClNO"
+138.04636	2105353
+139.05418	12504047	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.98964	132083136	"Theoretical m/z 139.989765, Mass diff 0 (0.89 ppm), SMILES O=CC=1C=CC=NC=1Cl, Annotation [C6H4ClNO-H]+, Rule of HR True"
+140.04935	7393068	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+140.99293	8896231
+141.98671	40299688
+142.99008	1800805
+150.04628	1338520
+152.06192	1795807
+164.04933	1773901	"Theoretical m/z 164.050024, Mass diff 0 (0 ppm), Formula C12H6N"
+166.06508	15334133	"Theoretical m/z 166.065118, Mass diff 0 (0.23 ppm), SMILES NC1=CC=CC=C1C2=CC=CC=C2, Annotation [C12H11N-3H]+, Rule of HR True"
+167.07283	19326010
+168.07613	2184450
+201.03388	4933660	"Theoretical m/z 201.033972, Mass diff 0 (0.46 ppm), SMILES NC1=CC=CC=C1C2=CC=C(C=C2)Cl, Annotation [C12H10ClN-2H]+, Rule of HR False"
+202.0417	3153368	"Theoretical m/z 202.041797, Mass diff 0 (0.48 ppm), SMILES NC1=CC=CC=C1C2=CC=C(C=C2)Cl, Annotation [C12H10ClN-H]+, Rule of HR True"
+203.03085	2278382
+204.03365	14039655	"Theoretical m/z 204.03468, Mass diff 0 (0 ppm), Formula C9H12Cl2N"
+205.0369	1603450
+206.03064	4100392
+230.03665	10106663	"Theoretical m/z 230.036716, Mass diff 0 (0.29 ppm), SMILES O=CNC2=CC=CC=C2(C1=CC=C(C=C1)Cl), Annotation [C13H10ClNO-H]+, Rule of HR True"
+231.03989	1716098
+232.03372	2693833
+271.08636	2378171	"Theoretical m/z 271.086603, Mass diff 0 (0.89 ppm), SMILES O=C(NC2=CC=CC=C2(C1=CC=CC=C1))C3=CN=CC=C3, Annotation [C18H14N2O-3H]+, Rule of HR True"
+305.04742	1524045	"Theoretical m/z 305.048166, Mass diff 0 (0 ppm), Formula C18H10ClN2O"
+307.06305	18464352	"Theoretical m/z 307.063282, Mass diff 0 (0.75 ppm), SMILES O=C(NC2=CC=CC=C2(C1=CC=C(C=C1)Cl))C3=CN=CC=C3, Annotation [C18H13ClN2O-H]+, Rule of HR True"
+308.06641	3455549
+309.06009	5247268
+325.02911	5033886	"Theoretical m/z 325.029929, Mass diff 0 (0 ppm), Formula C18H11Cl2N2"
+327.02606	2646276
+342.03207	60513996	"Theoretical m/z 342.032105, Mass diff 0 (0.1 ppm), SMILES O=C(NC2=CC=CC=C2(C1=CC=C(C=C1)Cl))C=3C=CC=NC=3Cl, Annotation [C18H12Cl2N2O]+, Rule of HR False"
+343.03546	12110831
+344.02899	39416760
+345.03244	6461329
+346.02585	4806558
+
+NAME: Butafenacil
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2741.7
+PRECURSORMZ: 474.08041
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H18ClF3N2O6
+INCHIKEY: JEDYYFXHPAIBGR-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)C)C(F)(F)F)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 12
+82.02869	5575546	"Theoretical m/z 82.028741, Mass diff 0 (0.62 ppm), SMILES O=CC=CNC, Annotation [C4H7NO-3H]+, Rule of HR True"
+123.99475	22355568	"Theoretical m/z 123.994851, Mass diff 0 (0.82 ppm), SMILES NC=1C=CC(=CC=1)Cl, Annotation [C6H6ClN-3H]+, Rule of HR True"
+125.99178	7112878	"Theoretical m/z 125.992208, Mass diff 0 (0 ppm), Formula C3H3ClF2N"
+179.98451	107604368	"Theoretical m/z 179.984689, Mass diff 0 (1 ppm), SMILES O=CNC=1C=CC(=C(C=O)C=1)Cl, Annotation [C8H6ClNO2-3H]+, Rule of HR True"
+180.98781	9480369
+181.98148	34751428	"Theoretical m/z 181.982037, Mass diff 0 (0 ppm), Formula C5H3ClF2NO2"
+182.98496	3204502
+196.98735	4067410	"Theoretical m/z 196.987418, Mass diff 0 (0.34 ppm), SMILES O=CNC=1C=CC(=C(C=1)C(=O)O)Cl, Annotation [C8H6ClNO3-2H]+, Rule of HR False"
+331.00891	290431168	"Theoretical m/z 331.009174, Mass diff 0 (0.8 ppm), SMILES O=CC=1C=C(C=CC=1Cl)N2C(=O)C=C(N(C2(=O))C)C(F)(F)F, Annotation [C13H8ClF3N2O3-H]+, Rule of HR True"
+332.0123	40438952
+333.00571	93260048
+334.00922	12213344
+
+NAME: Carbetamide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2009.3
+PRECURSORMZ: 236.11537
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H16N2O3
+INCHIKEY: AMRQXHFXNZFDCH-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 16
+71.08548	423636	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+72.08071	1121773	"Theoretical m/z 72.080772, Mass diff 0 (-0.87 ppm), SMILES CC=[N+](C)C, Annotation [C4H10N]+, Rule of HR True"
+74.05999	560945	"Theoretical m/z 74.060041, Mass diff 0 (0.69 ppm), SMILES O=CNCC, Annotation [C3H7NO+H]+, Rule of HR True"
+77.03852	1769406	"Theoretical m/z 77.038578, Mass diff 0 (0.75 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+91.04163	4604632	"Theoretical m/z 91.041647, Mass diff 0 (0.19 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-2H]+, Rule of HR False"
+92.04943	3792902	"Theoretical m/z 92.049472, Mass diff 0 (0.46 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-H]+, Rule of HR True"
+93.05727	10387390	"Theoretical m/z 93.057297, Mass diff 0 (0.3 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N]+, Rule of HR False"
+94.06061	726705
+106.06508	1088479	"Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N"
+119.03651	36487572
+120.04418	8339605	"Theoretical m/z 120.044391, Mass diff 0 (1.76 ppm), SMILES O=CNC1=CC=CC=C1, Annotation [C7H7NO-H]+, Rule of HR True"
+121.06462	1033952	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+132.04425	397155	"Theoretical m/z 132.044939, Mass diff 0 (0 ppm), Formula C8H6NO"
+137.04704	503329
+165.07835	913559	"Theoretical m/z 165.078431, Mass diff 0 (0.49 ppm), SMILES O=C(OCC)NC1=CC=CC=C1, Annotation [C9H11NO2]+, Rule of HR False"
+236.11537	863660	"Theoretical m/z 236.11554, Mass diff 0 (0.72 ppm), SMILES O=C(OC(C(=O)NCC)C)NC1=CC=CC=C1, Annotation [C12H16N2O3]+, Rule of HR False"
+
+NAME: Carfentrazone-ethyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2335.6
+PRECURSORMZ: 411.03686
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H14Cl2F3N3O3
+INCHIKEY: MLKCGVHIFJBRCD-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 83
+92.03083	2989349	"Theoretical m/z 92.030633, Mass diff 0 (2.14 ppm), SMILES FC(F)NCC, Annotation [C3H7F2N-3H]+, Rule of HR True"
+100.0184	2880284
+107.0294	7356293	"Theoretical m/z 107.029703, Mass diff 0 (0 ppm), Formula C7H4F"
+108.02464	2271625
+114.03411	2044626	"Theoretical m/z 114.034374, Mass diff 0 (0 ppm), Formula C8H4N"
+120.03726	4677524	"Theoretical m/z 120.036783, Mass diff 0 (3.98 ppm), SMILES FC(F)NC(=NN)C, Annotation [C3H7F2N3-3H]+, Rule of HR True"
+121.03249	2838956
+132.02472	6766765	"Theoretical m/z 132.024952, Mass diff 0 (0 ppm), Formula C8H3FN"
+133.0325	5751414	"Theoretical m/z 133.030097, Mass diff -0.003 (0 ppm), Formula C5H6FO3"
+134.04034	20300992	"Theoretical m/z 134.040602, Mass diff 0 (0 ppm), Formula C8H5FN"
+135.0437	3240649
+140.99048	5464409	"Theoretical m/z 140.990182, Mass diff 0 (2.11 ppm), SMILES FC1=CC=C(C(=C1)Cl)C, Annotation [C7H6ClF-3H]+, Rule of HR True"
+141.98579	2634195	"Theoretical m/z 141.985437, Mass diff 0 (2.49 ppm), SMILES FC=1C=C(C=CC=1(N))Cl, Annotation [C6H5ClFN-3H]+, Rule of HR True"
+143.00621	4396816	"Theoretical m/z 143.005832, Mass diff 0 (2.64 ppm), SMILES FC1=CC=C(C(=C1)Cl)C, Annotation [C7H6ClF-H]+, Rule of HR True"
+146.05295	1797738	"Theoretical m/z 146.052979, Mass diff -0.001 (0 ppm), Formula C5H6F2N3"
+148.03087	3884962
+149.0031	2127424	"Theoretical m/z 149.003883, Mass diff 0 (0 ppm), Formula C8H2FO2"
+150.03536	2391859	"Theoretical m/z 150.035517, Mass diff 0 (0 ppm), Formula C8H5FNO"
+151.01921	1999321	"Theoretical m/z 151.019533, Mass diff 0 (0 ppm), Formula C8H4FO2"
+153.9984	2180890	"Theoretical m/z 153.998356, Mass diff -0.001 (0 ppm), Formula C3H3ClF2N3"
+156.00136	3683077	"Theoretical m/z 156.001077, Mass diff 0 (1.81 ppm), SMILES FC=1C=C(C(=CC=1(N))C)Cl, Annotation [C7H7ClFN-3H]+, Rule of HR True"
+157.99846	2304854	"Theoretical m/z 157.999051, Mass diff 0 (0 ppm), Formula C7N3O2"
+168.00153	11854331	"Theoretical m/z 168.002086, Mass diff 0 (0 ppm), Formula C3HF3N3O2"
+169.00922	7277784	"Theoretical m/z 169.010111, Mass diff 0 (0 ppm), Formula C8H3F2O2"
+169.9985	5966918	"Theoretical m/z 169.999051, Mass diff 0 (0 ppm), Formula C8N3O2"
+171.00629	4450250	"Theoretical m/z 171.005774, Mass diff -0.001 (0 ppm), Formula C8H2F3O"
+183.99648	2842007	"Theoretical m/z 183.995996, Mass diff 0 (2.63 ppm), SMILES O=CNC=1C=C(C(=CC=1(F))Cl)C, Annotation [C8H7ClFNO-3H]+, Rule of HR True"
+186.0121	2117884	"Theoretical m/z 186.011646, Mass diff 0 (2.44 ppm), SMILES O=CNC=1C=C(C(=CC=1(F))Cl)C, Annotation [C8H7ClFNO-H]+, Rule of HR True"
+194.9886	1847610	"Theoretical m/z 194.989207, Mass diff 0 (0 ppm), Formula C6H6Cl2FN2"
+195.99648	2907305	"Theoretical m/z 195.997001, Mass diff 0 (0 ppm), Formula C4HF3N3O3"
+197.00421	3954684	"Theoretical m/z 197.004857, Mass diff 0 (0 ppm), Formula C6H8Cl2FN2"
+211.00743	1882578	"Theoretical m/z 211.006891, Mass diff 0.001 (2.56 ppm), SMILES O=CN(N=CC)C=1C=CC(=CC=1(F))Cl, Annotation [C9H8ClFN2O-3H]+, Rule of HR True"
+220.99178	1833613
+222.98349	2975696	"Theoretical m/z 222.984121, Mass diff 0 (0 ppm), Formula C7H6Cl2FN2O"
+233.0163	1853116	"Theoretical m/z 233.016946, Mass diff 0 (0 ppm), Formula C13H7ClFO"
+234.02422	2180042	"Theoretical m/z 234.024571, Mass diff 0 (0 ppm), Formula C8H7ClF2N3O"
+240.03397	7686234	"Theoretical m/z 240.033451, Mass diff 0.001 (2.16 ppm), SMILES O=C1NC(=NN1C=2C=C(C(=CC=2(F))Cl)C)C, Annotation [C10H9ClFN3O-H]+, Rule of HR True"
+240.99802	6146740	"Theoretical m/z 240.998709, Mass diff 0 (0 ppm), Formula C12H8Cl2F"
+242.03098	3447396	"Theoretical m/z 242.031486, Mass diff 0 (0 ppm), Formula C9H12Cl2F2N"
+242.99516	2353624
+252.03424	2224340	"Theoretical m/z 252.03468, Mass diff 0 (0 ppm), Formula C13H12Cl2N"
+254.04965	4296016
+262.01852	5180725	"Theoretical m/z 262.019616, Mass diff 0.001 (4.18 ppm), SMILES FC=1C=C(C(=CC=1(N))CC(COCC)Cl)Cl, Annotation [C11H14Cl2FNO-3H]+, Rule of HR True"
+268.99286	3077011	"Theoretical m/z 268.993623, Mass diff 0 (0 ppm), Formula C13H8Cl2FO"
+272.04721	4687647	"Theoretical m/z 272.04842, Mass diff 0.001 (4.45 ppm), SMILES O=CNC=1C=C(C(=CC=1(F))Cl)CCC(=O)OCC, Annotation [C12H13ClFNO3-H]+, Rule of HR True"
+280.02911	3772010	"Theoretical m/z 280.030195, Mass diff 0.001 (3.88 ppm), SMILES O=C(OCC)C(CC1=CC(N)=C(F)C=C1Cl)Cl, Annotation [C11H12Cl2FNO2+H]+, Rule of HR True"
+282.0253	2701175
+284.04031	2546471
+288.01071	2058602	"Theoretical m/z 288.01012, Mass diff 0.001 (2.05 ppm), SMILES O=C1NC(=NN1C=2C=C(C(=CC=2(F))Cl)CCCl)C, Annotation [C11H10Cl2FN3O-H]+, Rule of HR True"
+290.03091	53820300	"Theoretical m/z 290.030262, Mass diff 0.001 (2.24 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(C(=CC=2(F))Cl)C, Annotation [C11H9ClF3N3O-H]+, Rule of HR True"
+291.03452	5961073
+292.02795	19981580
+293.03131	2331669
+302.03116	7990076	"Theoretical m/z 302.030237, Mass diff 0.001 (3.06 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(C(=CC=2(F))Cl)CC, Annotation [C12H11ClF3N3O-3H]+, Rule of HR True"
+303.03906	9509821	"Theoretical m/z 303.038062, Mass diff 0.001 (3.29 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(C(=CC=2(F))Cl)CC, Annotation [C12H11ClF3N3O-2H]+, Rule of HR False"
+304.04721	7238344
+305.03616	3531345	"Theoretical m/z 305.032295, Mass diff -0.004 (0 ppm), Formula C11H14Cl2F3O2"
+306.04404	2830982
+310.01971	97518968	"Theoretical m/z 310.020173, Mass diff 0 (0 ppm), Formula C15H11Cl2FNO"
+311.0231	13170702
+312.05963	172367152	"Theoretical m/z 312.060288, Mass diff 0 (0 ppm), Formula C15H13ClF2NO2"
+313.0632	23141854
+314.06525	2795640
+330.02597	86525896	"Theoretical m/z 330.025171, Mass diff 0.001 (2.42 ppm), SMILES O=CCCC1=CC(=C(F)C=C1Cl)N2N=C(N(C2(=O))C(F)F)C, Annotation [C13H11ClF3N3O2-3H]+, Rule of HR True"
+331.02948	11676124
+332.02289	26262102
+333.0264	3721159
+340.09131	77820152	"Theoretical m/z 340.090356, Mass diff 0.001 (2.8 ppm), SMILES O=C(OCC)CCC=1C=CC(F)=C(C=1)N2N=C(N(C2(=O))C(F)F)C, Annotation [C15H16F3N3O3-3H]+, Rule of HR True"
+341.09482	12365507
+342.1069	2955619	"Theoretical m/z 342.106006, Mass diff 0.001 (2.61 ppm), SMILES O=C(OCC)CCC=1C=CC(F)=C(C=1)N2N=C(N(C2(=O))C(F)F)C, Annotation [C15H16F3N3O3-H]+, Rule of HR True"
+345.99649	7844934	"Theoretical m/z 345.99563, Mass diff 0.001 (2.49 ppm), SMILES O=CC(CC1=CC(=CC=C1Cl)N2N=C(N(C2(=O))C(F)F)C)Cl, Annotation [C13H11Cl2F2N3O2-3H]+, Rule of HR True"
+348.03662	17396120	"Theoretical m/z 348.035724, Mass diff 0.001 (2.57 ppm), SMILES O=C(O)CCC1=CC(=C(F)C=C1Cl)N2N=C(N(C2(=O))C(F)F)C, Annotation [C13H11ClF3N3O3-H]+, Rule of HR True"
+349.03992	2433583
+350.03354	4801747
+366.00275	3137490	"Theoretical m/z 366.00185, Mass diff 0.001 (2.46 ppm), SMILES O=CC(CC1=CC(=C(F)C=C1Cl)N2N=C(N(C2(=O))C(F)F)C)Cl, Annotation [C13H10Cl2F3N3O2-H]+, Rule of HR True"
+368	1942974
+375.06021	12855928
+376.06799	34141896	"Theoretical m/z 376.067035, Mass diff 0.001 (2.54 ppm), SMILES O=C(OCC)CCC1=CC(=C(F)C=C1Cl)N2N=C(N(C2(=O))C(F)F)C, Annotation [C15H15ClF3N3O3-H]+, Rule of HR True"
+377.07153	9142426
+378.06482	10322802
+392.03836	2315317	"Theoretical m/z 392.037494, Mass diff 0.001 (2.21 ppm), SMILES O=C(OCC)C(CC1=CC(=CC=C1Cl)N2N=C(N(C2(=O))C(F)F)C)Cl, Annotation [C15H15Cl2F2N3O3-H]+, Rule of HR True"
+411.03686	7314684	"Theoretical m/z 411.035889, Mass diff 0.001 (2.36 ppm), SMILES O=C(OCC)C(CC1=CC(=C(F)C=C1Cl)N2N=C(N(C2(=O))C(F)F)C)Cl, Annotation [C15H14Cl2F3N3O3]+, Rule of HR False"
+413.03375	4684688
+
+NAME: Fenhexamid
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2416.6
+PRECURSORMZ: 301.06299
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H17Cl2NO2
+INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 47
+67.05418	315712	"Theoretical m/z 67.054229, Mass diff 0 (0.73 ppm), SMILES CCCCC, Annotation [C5H12-5H]+, Rule of HR True"
+69.06982	1262124	"Theoretical m/z 69.069879, Mass diff 0 (0.85 ppm), SMILES CCCCC, Annotation [C5H12-3H]+, Rule of HR True"
+78.04639	365633	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05419	204412	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.01305	309238	"Theoretical m/z 80.013639, Mass diff 0 (0 ppm), Formula C4H2NO"
+81.06986	479257	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.08547	566239	"Theoretical m/z 83.085529, Mass diff 0 (0.71 ppm), SMILES C1CCCCC1, Annotation [C6H12-H]+, Rule of HR True"
+84.98392	190844	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+86.9632	132537	"Theoretical m/z 86.963767, Mass diff 0 (0 ppm), Formula C3ClO"
+95.0855	190292	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.10114	12747316	"Theoretical m/z 97.101177, Mass diff 0 (0.38 ppm), SMILES CC1CCCCC1, Annotation [C7H14-H]+, Rule of HR True"
+98.10448	973926
+111.11678	283649	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+111.99484	169272	"Theoretical m/z 111.995402, Mass diff 0 (0 ppm), Formula C5H3ClN"
+113.00259	953304	"Theoretical m/z 113.00274, Mass diff 0 (0 ppm), Formula C8HO"
+114.01045	184618	"Theoretical m/z 114.011052, Mass diff 0 (0 ppm), Formula C5H5ClN"
+114.05494	196644	"Theoretical m/z 114.055503, Mass diff 0 (0 ppm), Formula C5H8NO2"
+114.06747	175104	"Theoretical m/z 114.06808, Mass diff 0 (0 ppm), Formula C6H10O2"
+114.99965	383057
+115.05417	257880	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+131.08545	144666	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+140.99748	213133	"Theoretical m/z 140.997595, Mass diff 0 (0.82 ppm), SMILES OC=1C=CC(N)=C(C=1)Cl, Annotation [C6H6ClNO-2H]+, Rule of HR False"
+143.01329	156905	"Theoretical m/z 143.013245, Mass diff 0 (0.31 ppm), SMILES OC=1C=CC(N)=C(C=1)Cl, Annotation [C6H6ClNO]+, Rule of HR False"
+147.08028	133592	"Theoretical m/z 147.08099, Mass diff 0 (0 ppm), Formula C10H11O"
+147.97139	486390	"Theoretical m/z 147.972079, Mass diff 0 (0 ppm), Formula C5H4Cl2N"
+149.02322	131728
+149.96851	347678
+175.9664	820653	"Theoretical m/z 175.966449, Mass diff 0 (0.28 ppm), SMILES OC=1C=CC(N)=C(C=1Cl)Cl, Annotation [C6H5Cl2NO-H]+, Rule of HR True"
+176.9742	9400059	"Theoretical m/z 176.974274, Mass diff 0 (0.42 ppm), SMILES OC=1C=CC(N)=C(C=1Cl)Cl, Annotation [C6H5Cl2NO]+, Rule of HR False"
+177.97751	1200199
+178.97119	6204536	"Theoretical m/z 178.968853, Mass diff -0.003 (0 ppm), Formula C12Cl"
+179.97453	464452
+180.96822	983550
+202.95342	140610
+210.03159	138444	"Theoretical m/z 210.03164, Mass diff 0 (0.24 ppm), SMILES O=C(NC=1C=CC(O)=CC=1Cl)C(C)C, Annotation [C10H12ClNO2-3H]+, Rule of HR True"
+246.00815	240787	"Theoretical m/z 246.008304, Mass diff 0 (0.63 ppm), SMILES O=C(NC=1C=CC(O)=C(C=1Cl)Cl)C(C)C, Annotation [C10H11Cl2NO2-H]+, Rule of HR True"
+248.00539	215701	"Theoretical m/z 248.00338, Mass diff -0.003 (0 ppm), Formula C13H8Cl2N"
+265.08597	156099
+266.09409	5561026	"Theoretical m/z 266.094226, Mass diff 0 (0.51 ppm), SMILES O=C(NC=1C=CC(O)=CC=1Cl)C2(C)(CCCCC2), Annotation [C14H18ClNO2-H]+, Rule of HR True"
+267.09729	854587
+268.09103	1699304
+269.09451	212357
+301.06299	2102136	"Theoretical m/z 301.063081, Mass diff 0 (0.3 ppm), SMILES O=C(NC=1C=CC(O)=C(C=1Cl)Cl)C2(C)(CCCCC2), Annotation [C14H17Cl2NO2]+, Rule of HR False"
+302.06625	296305
+303.05997	1279968
+305.0571	217502
+337.25253	208277
+
+NAME: Flutolanil
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2130
+PRECURSORMZ: 323.11285
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H16F3NO2
+INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 12
+95.02916	5222054	"Theoretical m/z 95.029703, Mass diff 0 (0 ppm), Formula C6H4F"
+125.01975	11195419	"Theoretical m/z 125.019739, Mass diff 0 (0.09 ppm), SMILES FC(F)C=1C=CC=CC=1, Annotation [C7H6F2-3H]+, Rule of HR True"
+126.02751	4393175
+145.02596	124939176	"Theoretical m/z 145.025959, Mass diff 0 (0.01 ppm), SMILES FC(F)(F)C=1C=CC=CC=1, Annotation [C7H5F3-H]+, Rule of HR True"
+146.02924	8807805
+173.02095	416693760	"Theoretical m/z 173.020877, Mass diff 0 (0.42 ppm), SMILES O=CC1=CC=CC=C1C(F)(F)F, Annotation [C8H5F3O-H]+, Rule of HR True"
+174.02414	35173332
+261.05972	4891064
+281.06586	119870648
+282.06924	17782550
+323.11285	45159680	"Theoretical m/z 323.112763, Mass diff 0 (0.27 ppm), SMILES O=C(NC=1C=CC=C(OC(C)C)C=1)C2=CC=CC=C2C(F)(F)F, Annotation [C17H16F3NO2]+, Rule of HR False"
+324.11627	7379946
+
+NAME: Furalaxyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2065
+PRECURSORMZ: 301.13083
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H19NO4
+INCHIKEY: CIEXPHRYOLIQQD-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 41
+67.0178	1723325	"Theoretical m/z 67.017841, Mass diff 0 (0.61 ppm), SMILES O1C=CC=C1, Annotation [C4H4O-H]+, Rule of HR True"
+77.03854	5660114	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05421	4654814	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+91.05422	3324884	"Theoretical m/z 91.054226, Mass diff 0 (0.06 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+94.0288	2139984	"Theoretical m/z 94.029289, Mass diff 0 (0 ppm), Formula C5H4NO"
+95.01271	165888592	"Theoretical m/z 95.01276, Mass diff 0 (0.52 ppm), SMILES O=CC=1OC=CC=1, Annotation [C5H4O2-H]+, Rule of HR True"
+95.04908	4034548	"Theoretical m/z 95.049141, Mass diff 0 (-0.64 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+96.01599	9070351
+103.05417	4310052	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06986	4528006	"Theoretical m/z 105.069873, Mass diff 0 (0.13 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+115.05416	1748943	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.05722	8846179	"Theoretical m/z 117.057301, Mass diff 0 (0.69 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-4H]+, Rule of HR False"
+118.065	1805347	"Theoretical m/z 118.065126, Mass diff 0 (1.07 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-3H]+, Rule of HR True"
+120.0807	2435683	"Theoretical m/z 120.080776, Mass diff 0 (0.63 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-H]+, Rule of HR True"
+122.05994	1934632	"Theoretical m/z 122.060589, Mass diff 0 (0 ppm), Formula C7H8NO"
+128.06195	1886376	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+130.06508	4032748	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+131.07289	8212096	"Theoretical m/z 131.073499, Mass diff 0 (0 ppm), Formula C9H9N"
+132.08067	12532967	"Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N"
+146.09633	23110126	"Theoretical m/z 146.096429, Mass diff 0 (0.68 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-3H]+, Rule of HR True"
+147.09969	2591270
+152.0705	36897056	"Theoretical m/z 152.071154, Mass diff 0 (0 ppm), Formula C8H10NO2"
+153.07381	3222850
+180.06541	3339126	"Theoretical m/z 180.065515, Mass diff 0 (0.58 ppm), SMILES O=C(OC)C(NC(=O)C=CC=C)C, Annotation [C9H13NO3-3H]+, Rule of HR True"
+186.09129	3785484	"Theoretical m/z 186.091333, Mass diff 0 (0.23 ppm), SMILES O=C(C=CC)NC1=C(C=CC=C1C)C, Annotation [C12H15NO-3H]+, Rule of HR True"
+198.09126	2829065	"Theoretical m/z 198.091338, Mass diff 0 (0.39 ppm), SMILES O=C(C=C)N(C1=C(C=CC=C1C)C)CC, Annotation [C13H17NO-5H]+, Rule of HR True"
+206.11754	6172222	"Theoretical m/z 206.117557, Mass diff 0 (0.08 ppm), SMILES O=C(OC)C(NC1=C(C=CC=C1C)C)C, Annotation [C12H17NO2-H]+, Rule of HR True"
+214.08615	8130932	"Theoretical m/z 214.086261, Mass diff 0 (0.52 ppm), SMILES O=C(NC1=C(C=CC=C1C)C)C=2OC=CC=2, Annotation [C13H13NO2-H]+, Rule of HR True"
+215.09428	1803418
+224.1069	6064689	"Theoretical m/z 224.106994, Mass diff 0 (0.42 ppm), SMILES O=C(C=CC=C)N(C1=C(C=CC=C1C)C)CC, Annotation [C15H19NO-5H]+, Rule of HR True"
+225.11479	17137668	"Theoretical m/z 225.114819, Mass diff 0 (0.13 ppm), SMILES O=C(C=CC=C)N(C1=C(C=CC=C1C)C)CC, Annotation [C15H19NO-4H]+, Rule of HR False"
+226.11801	3498700
+240.10178	1803909	"Theoretical m/z 240.101913, Mass diff 0 (0.55 ppm), SMILES O=CC(N(C(=O)C=CC)C1=C(C=CC=C1C)C)C, Annotation [C15H19NO2-5H]+, Rule of HR True"
+241.10977	3925816
+242.11732	84687088	"Theoretical m/z 242.117557, Mass diff 0 (0.98 ppm), SMILES O=C(C=1OC=CC=1)N(C2=C(C=CC=C2C)C)CC, Annotation [C15H17NO2-H]+, Rule of HR True"
+243.1208	13735895
+269.10446	15409011
+270.10803	2256730
+272.12784	2147333	"Theoretical m/z 272.128126, Mass diff 0 (1.05 ppm), SMILES O=CC(N(C(=O)C=1OC=CC=1)C2=C(C=CC=C2C)C)C, Annotation [C16H17NO3+H]+, Rule of HR True"
+283.12021	5795785
+301.13083	3445092	"Theoretical m/z 301.13086, Mass diff 0 (0.1 ppm), SMILES O=C(OC)C(N(C(=O)C=1OC=CC=1)C=2C(=CC=CC=2C)C)C, Annotation [C17H19NO4]+, Rule of HR False"
+
+NAME: Kresoxim-methyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2211.3
+PRECURSORMZ: 283.116
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H19NO4
+INCHIKEY: ZOTBXTZVPHCKPN-HTXNQAPBSA-N
+INCHI: 
+SMILES: CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 29
+77.03858	12785022	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04642	3571898	"Theoretical m/z 78.046403, Mass diff 0 (0.22 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05424	6095619	"Theoretical m/z 79.054228, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+89.03858	39026684	"Theoretical m/z 89.038575, Mass diff 0 (0.05 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04644	10320717	"Theoretical m/z 90.046401, Mass diff 0 (0.44 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05424	19713578	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05759	2260997
+103.05422	4084599	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06203	3519607	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06992	7965302	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04916	6797017	"Theoretical m/z 107.049141, Mass diff 0 (0.18 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.04175	7662310	"Theoretical m/z 115.042199, Mass diff 0 (0 ppm), Formula C8H5N"
+116.04947	197376816	"Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N"
+117.05718	36808380	"Theoretical m/z 117.057849, Mass diff 0 (0 ppm), Formula C8H7N"
+118.06502	21245882	"Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N"
+119.04909	6188069	"Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O"
+130.06519	29361994	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+131.07294	95346096	"Theoretical m/z 131.073499, Mass diff 0 (0 ppm), Formula C9H9N"
+132.08067	57074132	"Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N"
+133.08402	5461275
+143.03659	4490311	"Theoretical m/z 143.037114, Mass diff 0 (0 ppm), Formula C9H5NO"
+146.06	15214867	"Theoretical m/z 146.060037, Mass diff 0 (0.25 ppm), SMILES N(OC)=CC1=CC=CC=C1C, Annotation [C9H11NO-3H]+, Rule of HR True"
+162.09134	7388268	"Theoretical m/z 162.091889, Mass diff 0 (0 ppm), Formula C10H12NO"
+175.06282	3245104	"Theoretical m/z 175.062781, Mass diff 0 (0.22 ppm), SMILES O=CC(=NOC)C1=CC=CC=C1C, Annotation [C10H11NO2-2H]+, Rule of HR False"
+194.0965	2935367	"Theoretical m/z 194.096974, Mass diff 0 (0 ppm), Formula C14H12N"
+206.08124	54662560	"Theoretical m/z 206.081165, Mass diff 0 (0.36 ppm), SMILES O=C(OC)C(=NOC)C1=CC=CC=C1C, Annotation [C11H13NO3-H]+, Rule of HR True"
+207.08458	6008660
+222.09142	2183536	"Theoretical m/z 222.091333, Mass diff 0 (0.39 ppm), SMILES N=CC1=CC=CC=C1COC2=CC=CC=C2C, Annotation [C15H15NO-3H]+, Rule of HR True"
+282.11252	9046595	"Theoretical m/z 282.112476, Mass diff 0 (0.16 ppm), SMILES O=CC(=NOC)C1=CC=CC=C1COC2=CC=CC=C2C, Annotation [C17H17NO3-H]+, Rule of HR True"
+
+NAME: Mepanipyrim
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2096.6
+PRECURSORMZ: 223.10979
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H13N3
+INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 12
+77.03848	5661710	"Theoretical m/z 77.038578, Mass diff 0 (1.27 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+91.04155	6049828	"Theoretical m/z 91.041647, Mass diff 0 (1.07 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-2H]+, Rule of HR False"
+110.54695	6425300
+181.07573	7246277	"Theoretical m/z 181.076573, Mass diff 0 (0 ppm), Formula C12H9N2"
+206.07114	8287378	"Theoretical m/z 206.071822, Mass diff 0 (0 ppm), Formula C13H8N3"
+207.07892	50273088
+208.08672	15847723	"Theoretical m/z 208.086918, Mass diff 0 (0.95 ppm), SMILES C(#CC)C1=NC(=NC=C1)NC2=CC=CC=C2, Annotation [C13H11N3-H]+, Rule of HR True"
+220.08693	22629468	"Theoretical m/z 220.087472, Mass diff 0 (0 ppm), Formula C14H10N3"
+221.09474	75833680
+222.10222	539633280	"Theoretical m/z 222.103122, Mass diff 0 (0 ppm), Formula C14H12N3"
+223.10979	114378392
+224.11314	15935592
+
+NAME: Mepronil
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2296.4
+PRECURSORMZ: 269.14062
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H19NO2
+INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 14
+89.03848	7540917	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04636	5762414	"Theoretical m/z 90.046401, Mass diff 0 (0.45 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05412	137469840	"Theoretical m/z 91.054226, Mass diff 0 (1.16 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05744	10381746
+118.06501	4543004	"Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N"
+119.049	351015808	"Theoretical m/z 119.049144, Mass diff 0 (1.21 ppm), SMILES O=CC1=CC=CC=C1C, Annotation [C8H8O-H]+, Rule of HR True"
+120.05224	24896342
+209.08339	6233174
+210.06729	83580528	"Theoretical m/z 210.06808, Mass diff 0 (0 ppm), Formula C14H10O2"
+211.0706	10648527
+227.09376	41167596
+228.097	5025446
+269.14062	70439304	"Theoretical m/z 269.141022, Mass diff 0 (1.5 ppm), SMILES O=C(NC=1C=CC=C(OC(C)C)C=1)C2=CC=CC=C2C, Annotation [C17H19NO2]+, Rule of HR False"
+270.14395	12407774
+
+NAME: Metalaxyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1906.8
+PRECURSORMZ: 279.14627
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H21NO4
+INCHIKEY: ZQEIXNIJLIKNTD-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 97
+67.05415	771076	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+68.04942	398100	"Theoretical m/z 68.050024, Mass diff 0 (0 ppm), Formula C4H6N"
+69.06979	2245802	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+70.07765	1773012	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.08546	6356936	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+72.08068	8960786	"Theoretical m/z 72.080772, Mass diff 0 (-1.28 ppm), SMILES CC=[N+](C)C, Annotation [C4H10N]+, Rule of HR True"
+77.03848	4372800	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04635	417013	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05415	4274044	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.05747	437720
+81.06982	883297	"Theoretical m/z 81.069878, Mass diff 0 (-0.71 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07764	611856	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08543	1503266	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.0807	2853819	"Theoretical m/z 84.080772, Mass diff 0 (-0.86 ppm), SMILES C[N+]1=CCCC1, Annotation [C5H10N]+, Rule of HR True"
+85.1011	7951124	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.10442	1265098
+89.0385	498041	"Theoretical m/z 89.038575, Mass diff 0 (0.85 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-3H]+, Rule of HR True"
+91.05416	4054940	"Theoretical m/z 91.054226, Mass diff 0 (0.72 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.06197	421377	"Theoretical m/z 92.062051, Mass diff 0 (0.88 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8]+, Rule of HR False"
+93.06981	624388	"Theoretical m/z 93.069876, Mass diff 0 (0.71 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8+H]+, Rule of HR True"
+95.08547	780305	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+98.05998	5638992	"Theoretical m/z 98.060589, Mass diff 0 (0 ppm), Formula C5H8NO"
+99.11678	2043685	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+102.04627	439098	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05412	3446106	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.0619	932192	"Theoretical m/z 104.062048, Mass diff 0 (1.43 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-2H]+, Rule of HR False"
+105.06979	5336214	"Theoretical m/z 105.069873, Mass diff 0 (0.79 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+106.0731	860614
+111.11669	992654	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+112.1245	495493
+113.13229	1136011	"Theoretical m/z 113.133026, Mass diff 0 (0 ppm), Formula C8H17"
+114.09128	792773	"Theoretical m/z 114.091889, Mass diff 0 (0 ppm), Formula C6H12NO"
+115.0541	1175477	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04933	940675	"Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N"
+117.05716	7841214	"Theoretical m/z 117.057301, Mass diff 0 (1.2 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-4H]+, Rule of HR False"
+118.06493	3353342	"Theoretical m/z 118.065126, Mass diff 0 (1.66 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-3H]+, Rule of HR True"
+119.08542	3184780	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.08065	3610418	"Theoretical m/z 120.080776, Mass diff 0 (1.05 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-H]+, Rule of HR True"
+121.10103	4544804	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+124.11198	738170	"Theoretical m/z 124.112624, Mass diff 0 (0 ppm), Formula C8H14N"
+125.13235	444195	"Theoretical m/z 125.133026, Mass diff 0 (0 ppm), Formula C9H17"
+126.12759	3086190	"Theoretical m/z 126.128275, Mass diff 0 (0 ppm), Formula C8H16N"
+127.148	1515936	"Theoretical m/z 127.148676, Mass diff 0 (0 ppm), Formula C9H19"
+128.06186	1250718	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.0697	646195	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.08615	13139966	"Theoretical m/z 130.086804, Mass diff 0 (0 ppm), Formula C6H12NO2"
+131.07282	7020460	"Theoretical m/z 131.073499, Mass diff 0 (0 ppm), Formula C9H9N"
+132.08061	20600808	"Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N"
+133.08394	3044672
+134.09622	605022	"Theoretical m/z 134.096974, Mass diff 0 (0 ppm), Formula C9H12N"
+141.16367	419499	"Theoretical m/z 141.164326, Mass diff 0 (0 ppm), Formula C10H21"
+142.12256	507612	"Theoretical m/z 142.123189, Mass diff 0 (0 ppm), Formula C8H16NO"
+144.08063	2151072	"Theoretical m/z 144.081324, Mass diff 0 (0 ppm), Formula C10H10N"
+144.13818	5670412	"Theoretical m/z 144.138839, Mass diff 0 (0 ppm), Formula C8H18NO"
+145.08844	3157530	"Theoretical m/z 145.088604, Mass diff 0 (1.13 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-4H]+, Rule of HR False"
+145.1414	486315
+146.09624	19562730	"Theoretical m/z 146.096429, Mass diff 0 (1.3 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-3H]+, Rule of HR True"
+147.104	3126748	"Theoretical m/z 147.104254, Mass diff 0 (1.73 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-2H]+, Rule of HR False"
+148.11185	7596170	"Theoretical m/z 148.112079, Mass diff 0 (1.55 ppm), SMILES C1=CC(=C(NCC)C(=C1)C)C, Annotation [C10H15N-H]+, Rule of HR True"
+149.09595	2053932	"Theoretical m/z 149.09664, Mass diff 0 (0 ppm), Formula C10H13O"
+153.12717	696551	"Theoretical m/z 153.12794, Mass diff 0 (0 ppm), Formula C10H17O"
+156.0806	593934	"Theoretical m/z 156.081324, Mass diff 0 (0 ppm), Formula C11H10N"
+158.08102	1609695	"Theoretical m/z 158.081718, Mass diff 0 (0 ppm), Formula C7H12NO3"
+160.11191	33781196	"Theoretical m/z 160.112624, Mass diff 0 (0 ppm), Formula C11H14N"
+161.11525	3387638
+162.12752	10841698	"Theoretical m/z 162.128275, Mass diff 0 (0 ppm), Formula C11H16N"
+163.09897	3116548	"Theoretical m/z 163.099168, Mass diff 0 (1.21 ppm), SMILES O=C(NC1=C(C=CC=C1C)C)C, Annotation [C10H13NO]+, Rule of HR False"
+172.11186	1399410	"Theoretical m/z 172.112624, Mass diff 0 (0 ppm), Formula C12H14N"
+173.11975	823108	"Theoretical m/z 173.117769, Mass diff -0.003 (0 ppm), Formula C9H17O3"
+174.09122	8416312	"Theoretical m/z 174.091333, Mass diff 0 (0.65 ppm), SMILES O=CC(NC1=C(C=CC=C1C)C)C, Annotation [C11H15NO-3H]+, Rule of HR True"
+175.0946	1173255
+181.08557	412678	"Theoretical m/z 181.086469, Mass diff 0 (0 ppm), Formula C10H13O3"
+189.0908	379140	"Theoretical m/z 189.091555, Mass diff 0 (0 ppm), Formula C12H13O2"
+189.11456	427644	"Theoretical m/z 189.114813, Mass diff 0 (1.34 ppm), SMILES O=C(N(C1=C(C=CC=C1C)C)CC)C, Annotation [C12H17NO-2H]+, Rule of HR False"
+190.12242	16487611	"Theoretical m/z 190.122638, Mass diff 0 (1.15 ppm), SMILES O=C(N(C1=C(C=CC=C1C)C)CC)C, Annotation [C12H17NO-H]+, Rule of HR True"
+191.1257	2065948
+192.13803	13798303	"Theoretical m/z 192.138288, Mass diff 0 (1.34 ppm), SMILES O=C(N(C1=C(C=CC=C1C)C)CC)C, Annotation [C12H17NO+H]+, Rule of HR True"
+193.1414	2063304
+195.11705	890718	"Theoretical m/z 195.117375, Mass diff 0 (0 ppm), Formula C15H15"
+198.14867	410275	"Theoretical m/z 198.149404, Mass diff 0 (0 ppm), Formula C11H20NO2"
+202.08604	7526020	"Theoretical m/z 202.086252, Mass diff 0 (1.05 ppm), SMILES O=CN(C1=C(C=CC=C1C)C)C(C=O)C, Annotation [C12H15NO2-3H]+, Rule of HR True"
+203.08934	849353
+204.10204	428773	"Theoretical m/z 204.101907, Mass diff 0 (0.65 ppm), SMILES O=C(N(C1=CC=CC=C1C)CC)COC, Annotation [C12H17NO2-3H]+, Rule of HR True"
+206.11742	25900726	"Theoretical m/z 206.117557, Mass diff 0 (0.67 ppm), SMILES O=C(OC)C(NC1=C(C=CC=C1C)C)C, Annotation [C12H17NO2-H]+, Rule of HR True"
+207.12065	1845016
+217.10959	1271715	"Theoretical m/z 217.109732, Mass diff 0 (0.65 ppm), SMILES O=CC(N(C(=O)C)C1=C(C=CC=C1C)C)C, Annotation [C13H17NO2-2H]+, Rule of HR False"
+220.13304	10908959	"Theoretical m/z 220.133213, Mass diff 0 (0.78 ppm), SMILES O=C(N(C1=C(C=CC=C1C)C)CC)COC, Annotation [C13H19NO2-H]+, Rule of HR True"
+231.12523	1057054
+232.12851	511815
+234.11226	8446854	"Theoretical m/z 234.112476, Mass diff 0 (0.92 ppm), SMILES O=CN(C1=C(C=CC=C1C)C)C(C(=O)OC)C, Annotation [C13H17NO3-H]+, Rule of HR True"
+235.11552	1353586
+247.11998	1411319
+249.13573	2827348
+266.211	350558
+268.22681	587317
+277.17957	943727
+279.14627	920666	"Theoretical m/z 279.146516, Mass diff 0 (0.88 ppm), SMILES O=C(OC)C(N(C(=O)COC)C=1C(=CC=CC=1C)C)C, Annotation [C15H21NO4]+, Rule of HR False"
+
+NAME: Myclobutanil
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2197.7
+PRECURSORMZ: 288.11359
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H17ClN4
+INCHIKEY: HZJKXKUJVSEEFU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 70
+67.05419	896719	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+75.02291	1496786	"Theoretical m/z 75.022928, Mass diff 0 (0.23 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03853	1199480	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+82.03995	7425222	"Theoretical m/z 82.039974, Mass diff 0 (0.29 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04775	2551516
+89.03854	1458188	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+99.02285	666513	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+101.03854	1466477	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+102.04636	3579008	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05416	706009	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+113.03848	679938	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+114.03379	2628585	"Theoretical m/z 114.034374, Mass diff 0 (0 ppm), Formula C8H4N"
+115.05418	4653828	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06197	1639095	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06979	896293	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+122.99952	2473776	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+125.0152	17011812	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+126.01853	1658755
+127.01221	6991392
+128.04938	10842621	"Theoretical m/z 128.050024, Mass diff 0 (0 ppm), Formula C9H6N"
+129.06972	4488846	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07759	670450
+136.00742	1260442
+137.0152	10490652	"Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl"
+138.01851	1556720
+139.01221	3999783
+140.04936	2353825	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+141.05716	1052932	"Theoretical m/z 141.057849, Mass diff 0 (0 ppm), Formula C10H7N"
+141.06975	1604814	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07767	1093221
+143.08548	4351266	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.09331	3838116	"Theoretical m/z 144.0939, Mass diff 0 (0 ppm), Formula C11H12"
+149.01529	1210166	"Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl"
+150.01045	32701960	"Theoretical m/z 150.010502, Mass diff 0 (0.34 ppm), SMILES N#CCC1=CC=C(C=C1)Cl, Annotation [C8H6ClN-H]+, Rule of HR True"
+151.03084	5259864	"Theoretical m/z 151.031453, Mass diff 0 (0 ppm), Formula C9H8Cl"
+152.03859	30460868
+153.04193	3772260
+154.03566	6962086
+155.06024	1359284	"Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2"
+163.01825	8436625
+164.026	9636127	"Theoretical m/z 164.026157, Mass diff 0 (0.96 ppm), SMILES N#CC(C1=CC=C(C=C1)Cl)C, Annotation [C9H8ClN-H]+, Rule of HR True"
+165.01537	3981659
+165.02953	1337405
+166.02313	3174668
+167.07288	728301
+170.09631	1366988	"Theoretical m/z 170.096429, Mass diff 0 (0.7 ppm), SMILES N#CC(C1=CC=CC=C1)CCCC, Annotation [C12H15N-3H]+, Rule of HR True"
+171.10411	3145556
+176.03871	3654913
+177.03401	1250622
+178.04178	3141150	"Theoretical m/z 178.041797, Mass diff 0 (0.1 ppm), SMILES N#CC(C1=CC=C(C=C1)Cl)(C)C, Annotation [C10H10ClN-H]+, Rule of HR True"
+179.02441	64768152
+179.06207	19659202	"Theoretical m/z 179.062204, Mass diff 0 (0.75 ppm), SMILES C=1C=C(C=CC=1CCCCC)Cl, Annotation [C11H15Cl-3H]+, Rule of HR True"
+180.0277	7309216
+181.02135	21176028
+181.05907	6404916
+182.02467	2366087
+182.06247	814643
+184.11198	2804486	"Theoretical m/z 184.112069, Mass diff 0 (0.49 ppm), SMILES N#CC(C1=CC=CC=C1)(C)CCCC, Annotation [C13H17N-3H]+, Rule of HR True"
+191.04959	689840
+192.03215	852731	"Theoretical m/z 192.032297, Mass diff 0 (0.76 ppm), SMILES N#CC(C1=CC=C(C=C1)Cl)CNN, Annotation [C9H10ClN3-3H]+, Rule of HR True"
+206.07307	7049906	"Theoretical m/z 206.073108, Mass diff 0 (0.19 ppm), SMILES N#CC(C1=CC=C(C=C1)Cl)CCCC, Annotation [C12H14ClN-H]+, Rule of HR True"
+207.07628	809241
+208.06995	2040189
+218.04797	708456	"Theoretical m/z 218.047952, Mass diff 0 (0.08 ppm), SMILES N=1C=NN(C=1)CC(C2=CC=C(C=C2)Cl)C, Annotation [C11H12ClN3-3H]+, Rule of HR True"
+219.08092	2120840
+220.08389	665818
+245.05876	13485711	"Theoretical m/z 245.058857, Mass diff 0 (0.39 ppm), SMILES N#CC(C1=CC=C(C=C1)Cl)(C)CN2N=CN=C2, Annotation [C12H11ClN4-H]+, Rule of HR True"
+246.06206	1734494
+247.05577	4295750
+288.11359	1245660	"Theoretical m/z 288.113618, Mass diff 0 (0.1 ppm), SMILES N#CC(C1=CC=C(C=C1)Cl)(CN2N=CN=C2)CCCC, Annotation [C15H17ClN4]+, Rule of HR False"
+
+NAME: Oxadixyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2295.7
+PRECURSORMZ: 278.12595
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H18N2O4
+INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 53
+69.06982	351653	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+77.03852	4395674	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04638	1645440	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05419	2422068	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+89.03854	1823832	"Theoretical m/z 89.038575, Mass diff 0 (0.4 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04642	1289737	"Theoretical m/z 90.046401, Mass diff 0 (0.22 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05418	14251144	"Theoretical m/z 91.054226, Mass diff 0 (0.5 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.0575	2244859
+93.06982	1761888	"Theoretical m/z 93.069876, Mass diff 0 (0.6 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8+H]+, Rule of HR True"
+102.04633	1016028	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05415	4273132	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.062	1304268	"Theoretical m/z 104.062048, Mass diff 0 (0.47 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-2H]+, Rule of HR False"
+105.06986	10250152	"Theoretical m/z 105.069873, Mass diff 0 (0.13 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+106.07317	2086755
+111.04408	445252	"Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2"
+115.05416	1310980	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06985	3663466	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.0651	7673890	"Theoretical m/z 118.065126, Mass diff 0 (0.22 ppm), SMILES NC1=C(C=CC=C1C)C, Annotation [C8H11N-3H]+, Rule of HR True"
+120.05232	11488664
+128.06192	483083	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.0697	681267	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.06508	2327286	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+131.07288	4059158	"Theoretical m/z 131.073499, Mass diff 0 (0 ppm), Formula C9H9N"
+132.08066	32581854	"Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N"
+133.08403	5657732
+134.09628	2352150	"Theoretical m/z 134.096974, Mass diff 0 (0 ppm), Formula C9H12N"
+135.08022	392767	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+145.07588	2189940	"Theoretical m/z 145.076018, Mass diff 0 (0.95 ppm), SMILES C1=CC(=C(NNC)C(=C1)C)C, Annotation [C9H14N2-5H]+, Rule of HR True"
+146.05986	1978777	"Theoretical m/z 146.060037, Mass diff 0 (1.21 ppm), SMILES O=CNC1=C(C=CC=C1C)C, Annotation [C9H11NO-3H]+, Rule of HR True"
+147.06786	936646	"Theoretical m/z 147.067862, Mass diff 0 (0.01 ppm), SMILES O=CNC1=C(C=CC=C1C)C, Annotation [C9H11NO-2H]+, Rule of HR False"
+148.07556	600683	"Theoretical m/z 148.075687, Mass diff 0 (0.86 ppm), SMILES O=CNC1=C(C=CC=C1C)C, Annotation [C9H11NO-H]+, Rule of HR True"
+159.09158	750467	"Theoretical m/z 159.091674, Mass diff 0 (0.59 ppm), SMILES C1=CC(=C(NNCC)C(=C1)C)C, Annotation [C10H16N2-5H]+, Rule of HR True"
+160.07562	474930	"Theoretical m/z 160.075693, Mass diff 0 (0.45 ppm), SMILES O=C(NC1=C(C=CC=C1C)C)C, Annotation [C10H13NO-3H]+, Rule of HR True"
+161.10715	505403	"Theoretical m/z 161.107324, Mass diff 0 (1.08 ppm), SMILES C1=CC(=C(NNCC)C(=C1)C)C, Annotation [C10H16N2-3H]+, Rule of HR True"
+162.05467	443254	"Theoretical m/z 162.055503, Mass diff 0 (0 ppm), Formula C9H8NO2"
+163.09906	9484442	"Theoretical m/z 163.099168, Mass diff 0 (0.66 ppm), SMILES O=C(NC1=C(C=CC=C1C)C)C, Annotation [C10H13NO]+, Rule of HR False"
+164.10254	2538291
+165.06981	371812	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.06506	332760	"Theoretical m/z 166.062994, Mass diff -0.003 (0 ppm), Formula C9H10O3"
+167.07286	821481	"Theoretical m/z 167.070819, Mass diff -0.003 (0 ppm), Formula C9H11O3"
+168.08078	660283	"Theoretical m/z 168.081324, Mass diff 0 (0 ppm), Formula C12H10N"
+180.08075	414341	"Theoretical m/z 180.08078, Mass diff 0 (-0.17 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+181.08859	1479163	"Theoretical m/z 181.086469, Mass diff -0.003 (0 ppm), Formula C10H13O3"
+182.07265	1471012	"Theoretical m/z 182.073165, Mass diff 0 (0 ppm), Formula C13H10O"
+184.07555	357407	"Theoretical m/z 184.076239, Mass diff 0 (0 ppm), Formula C12H10NO"
+192.10182	375980	"Theoretical m/z 192.101902, Mass diff 0 (0.43 ppm), SMILES O=C(NC1=C(C=CC=C1C)C)COC, Annotation [C11H15NO2-H]+, Rule of HR True"
+206.10471	492709
+209.01163	349743
+210.06743	354992	"Theoretical m/z 210.06808, Mass diff 0 (0 ppm), Formula C14H10O2"
+211.07071	2587974	"Theoretical m/z 211.071882, Mass diff 0.001 (0 ppm), Formula C9H11N2O4"
+228.09721	797010
+233.09195	6278266	"Theoretical m/z 233.092075, Mass diff 0 (0.54 ppm), SMILES O=CN(C1=C(C=CC=C1C)C)N2C(=O)OCC2, Annotation [C12H14N2O3-H]+, Rule of HR True"
+278.12595	393616	"Theoretical m/z 278.126099, Mass diff 0 (0.54 ppm), SMILES O=C1OCCN1N(C(=O)COC)C=2C(=CC=CC=2C)C, Annotation [C14H18N2O4]+, Rule of HR False"
+
+NAME: Picoxystrobin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2105.4
+PRECURSORMZ: 367.1023
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H16F3NO4
+INCHIKEY: IBSNKSODLGJUMQ-SDNWHVSQSA-N
+INCHI: 
+SMILES: COC=C(C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)C(=O)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 61
+75.02293	2328129	"Theoretical m/z 75.022928, Mass diff 0 (0.03 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+76.03074	1954791	"Theoretical m/z 76.030753, Mass diff 0 (0.17 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03854	8824547	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04638	1738751	"Theoretical m/z 78.046403, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+89.03854	6480594	"Theoretical m/z 89.038575, Mass diff 0 (0.4 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04641	3818367	"Theoretical m/z 90.046401, Mass diff 0 (0.11 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05421	10647436	"Theoretical m/z 91.054226, Mass diff 0 (0.17 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+93.02094	1731268
+102.04636	15287196	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05417	35887928	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.05753	4204220
+105.06986	1991948	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+114.04632	2434117
+115.05418	42630112	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.05752	7919551
+117.06979	30539000	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.0412	9786528	"Theoretical m/z 118.041865, Mass diff 0 (0 ppm), Formula C8H6O"
+119.0491	3110811	"Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O"
+126.0149	2903567	"Theoretical m/z 126.014978, Mass diff 0 (0.62 ppm), SMILES FC(F)C1=NC=CC=C1, Annotation [C6H5F2N-3H]+, Rule of HR True"
+127.02271	3746808	"Theoretical m/z 127.022803, Mass diff 0 (0.73 ppm), SMILES FC(F)C1=NC=CC=C1, Annotation [C6H5F2N-2H]+, Rule of HR False"
+128.06195	5983250	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.03339	18719600	"Theoretical m/z 129.03404, Mass diff 0 (0 ppm), Formula C9H5O"
+130.04129	8340270	"Theoretical m/z 130.041317, Mass diff 0 (0.21 ppm), SMILES O(C=CC=1C=CC=CC=1)C, Annotation [C9H10O-4H]+, Rule of HR False"
+131.04907	26983126	"Theoretical m/z 131.049142, Mass diff 0 (0.55 ppm), SMILES O(C=CC=1C=CC=CC=1)C, Annotation [C9H10O-3H]+, Rule of HR True"
+132.05238	3784774
+133.06468	2632403	"Theoretical m/z 133.064792, Mass diff 0 (0.84 ppm), SMILES O(C=CC=1C=CC=CC=1)C, Annotation [C9H10O-H]+, Rule of HR True"
+135.02893	2636268
+143.04915	2207225	"Theoretical m/z 143.04969, Mass diff 0 (0 ppm), Formula C10H7O"
+144.02556	2735227	"Theoretical m/z 144.025547, Mass diff 0 (0.09 ppm), SMILES FC(F)C1=NC(O)=CC=C1, Annotation [C6H5F2NO-H]+, Rule of HR True"
+145.06473	159753008	"Theoretical m/z 145.064798, Mass diff 0 (0.47 ppm), SMILES O(C=CC1=CC=CC=C1C)C, Annotation [C10H12O-3H]+, Rule of HR True"
+146.06805	21593294
+146.07242	40491364	"Theoretical m/z 146.072623, Mass diff 0 (1.39 ppm), SMILES O(C=CC1=CC=CC=C1C)C, Annotation [C10H12O-2H]+, Rule of HR False"
+147.02885	3221252	"Theoretical m/z 147.029038, Mass diff 0 (1.28 ppm), SMILES FC(F)(F)C1=NC=CC=C1, Annotation [C6H4F3N]+, Rule of HR False"
+147.07585	5120249
+147.08023	8429315	"Theoretical m/z 147.080448, Mass diff 0 (1.48 ppm), SMILES O(C=CC1=CC=CC=C1C)C, Annotation [C10H12O-H]+, Rule of HR True"
+157.02832	9271239	"Theoretical m/z 157.028954, Mass diff 0 (0 ppm), Formula C10H5O2"
+158.03619	2903189	"Theoretical m/z 158.036236, Mass diff 0 (0.29 ppm), SMILES O=CC(=COC)C=1C=CC=CC=1, Annotation [C10H10O2-4H]+, Rule of HR False"
+161.05965	10743549	"Theoretical m/z 161.059711, Mass diff 0 (0.38 ppm), SMILES O=CC(=COC)C=1C=CC=CC=1, Annotation [C10H10O2-H]+, Rule of HR True"
+172.0518	20046408
+173.05965	37334512	"Theoretical m/z 173.059701, Mass diff 0 (0.3 ppm), SMILES O=CC(=COC)C1=CC=CC=C1C, Annotation [C11H12O2-3H]+, Rule of HR True"
+174.063	5367039
+177.09091	3116538	"Theoretical m/z 177.091001, Mass diff 0 (0.52 ppm), SMILES O=CC(=COC)C1=CC=CC=C1C, Annotation [C11H12O2+H]+, Rule of HR True"
+189.05454	24535516	"Theoretical m/z 189.05462, Mass diff 0 (0.42 ppm), SMILES O=C(O)C(=COC)C1=CC=CC=C1C, Annotation [C11H12O3-3H]+, Rule of HR True"
+190.05778	3239694
+204.07812	28421564	"Theoretical m/z 204.078101, Mass diff 0 (0.09 ppm), SMILES O=C(OC)C(=COC)C1=CC=CC=C1C, Annotation [C12H14O3-2H]+, Rule of HR False"
+205.08597	7240550	"Theoretical m/z 205.085926, Mass diff 0 (0.22 ppm), SMILES O=C(OC)C(=COC)C1=CC=CC=C1C, Annotation [C12H14O3-H]+, Rule of HR True"
+234.05487	5081226	"Theoretical m/z 234.055503, Mass diff 0 (0 ppm), Formula C15H8NO2"
+247.06032	2987748	"Theoretical m/z 247.058204, Mass diff -0.003 (0 ppm), Formula C11H10F3O3"
+248.06845	2100836
+256.05676	4694080	"Theoretical m/z 256.057395, Mass diff 0 (0 ppm), Formula C15H8F2NO"
+266.08096	2706251	"Theoretical m/z 266.08117, Mass diff 0 (0.79 ppm), SMILES O=CC(=COC)C1=CC=CC=C1COC=2N=CC=CC=2, Annotation [C16H15NO3-3H]+, Rule of HR True"
+275.05502	8534991	"Theoretical m/z 275.055248, Mass diff 0 (0.83 ppm), SMILES FC(F)(F)C2=NC(OCC1=CC=CC=C1(C=C))=CC=C2, Annotation [C15H12F3NO-4H]+, Rule of HR False"
+276.06357	5683552
+292.05771	3766784	"Theoretical m/z 292.057977, Mass diff 0 (0.91 ppm), SMILES FC(F)(F)C2=NC(OCC1=CC=CC=C1(C=CO))=CC=C2, Annotation [C15H12F3NO2-3H]+, Rule of HR True"
+303.05005	65795372	"Theoretical m/z 303.050152, Mass diff 0 (0.34 ppm), SMILES O=CC(=C)C1=CC=CC=C1COC=2N=C(C=CC=2)C(F)(F)F, Annotation [C16H12F3NO2-4H]+, Rule of HR False"
+304.05344	10952092
+306.07373	1680585	"Theoretical m/z 306.073627, Mass diff 0 (0.34 ppm), SMILES O=CC(=C)C1=CC=CC=C1COC=2N=C(C=CC=2)C(F)(F)F, Annotation [C16H12F3NO2-H]+, Rule of HR True"
+316.07794	1735931	"Theoretical m/z 316.077966, Mass diff 0 (0.08 ppm), SMILES O=CC(=COC)C1=CC=CC=C1COC=2N=C(C=CC=2)C(F)F, Annotation [C17H15F2NO3-3H]+, Rule of HR True"
+320.0527	3215687	"Theoretical m/z 320.052911, Mass diff 0 (0.66 ppm), SMILES O=CC(=CO)C1=CC=CC=C1COC=2N=C(C=CC=2)C(F)(F)F, Annotation [C16H12F3NO3-3H]+, Rule of HR True"
+335.07614	78578832
+336.07941	13873252
+
+NAME: Piperonyl butoxide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2431.9
+PRECURSORMZ: 338.20828
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H30O5
+INCHIKEY: FIPWRIJSWJWJAI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 37
+77.0385	8634896	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05417	4426060	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+89.05964	11234726	"Theoretical m/z 89.059703, Mass diff 0 (0.71 ppm), SMILES O(C)CCOC, Annotation [C4H10O2-H]+, Rule of HR True"
+91.05417	25703498	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06982	3703829	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+103.05413	8160772	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06981	4193728	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04906	6274033	"Theoretical m/z 107.049141, Mass diff 0 (-0.76 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05411	6119153	"Theoretical m/z 115.054229, Mass diff 0 (1.03 ppm), SMILES C=1C=CC(=CC=1)CCC, Annotation [C9H12-5H]+, Rule of HR True"
+117.06977	20361802	"Theoretical m/z 117.069879, Mass diff 0 (0.93 ppm), SMILES C=1C=CC(=CC=1)CCC, Annotation [C9H12-3H]+, Rule of HR True"
+118.07756	34006672
+119.08542	42684624	"Theoretical m/z 119.085529, Mass diff 0 (0.92 ppm), SMILES C=1C=CC(=CC=1)CCC, Annotation [C9H12-H]+, Rule of HR True"
+120.08876	4007436
+129.06972	5998646	"Theoretical m/z 129.069869, Mass diff 0 (1.16 ppm), SMILES C1=CC=C(C(=C1)C)CCC, Annotation [C10H14-5H]+, Rule of HR True"
+131.04904	38356528	"Theoretical m/z 131.049148, Mass diff 0 (0.82 ppm), SMILES OC=1C=CC(=CC=1)CCC, Annotation [C9H12O-5H]+, Rule of HR True"
+132.05238	4272917
+133.06465	4619666	"Theoretical m/z 133.064798, Mass diff 0 (1.11 ppm), SMILES OC=1C=CC(=CC=1)CCC, Annotation [C9H12O-3H]+, Rule of HR True"
+135.04388	18947700	"Theoretical m/z 135.044056, Mass diff 0 (1.3 ppm), SMILES O1C=2C=CC(=CC=2(OC1))C, Annotation [C8H8O2-H]+, Rule of HR True"
+135.08026	4536418	"Theoretical m/z 135.080448, Mass diff 0 (1.39 ppm), SMILES OC=1C=CC(=CC=1)CCC, Annotation [C9H12O-H]+, Rule of HR True"
+136.05176	4704696	"Theoretical m/z 136.051881, Mass diff 0 (0.89 ppm), SMILES O1C=2C=CC(=CC=2(OC1))C, Annotation [C8H8O2]+, Rule of HR False"
+145.0647	29094114	"Theoretical m/z 145.064788, Mass diff 0 (0.61 ppm), SMILES O(C=1C=CC(=CC=1)CCC)C, Annotation [C10H14O-5H]+, Rule of HR True"
+146.07248	32331390	"Theoretical m/z 146.072613, Mass diff 0 (0.91 ppm), SMILES O(C=1C=CC(=CC=1)CCC)C, Annotation [C10H14O-4H]+, Rule of HR False"
+147.08028	37996860	"Theoretical m/z 147.080438, Mass diff 0 (1.07 ppm), SMILES O(C=1C=CC(=CC=1)CCC)C, Annotation [C10H14O-3H]+, Rule of HR True"
+148.05167	8523160	"Theoretical m/z 148.051876, Mass diff 0 (1.39 ppm), SMILES OC=1C=CC(=CC=1(O))CCC, Annotation [C9H12O2-4H]+, Rule of HR False"
+149.05957	69723600	"Theoretical m/z 149.059701, Mass diff 0 (0.88 ppm), SMILES OC=1C=CC(=CC=1(O))CCC, Annotation [C9H12O2-3H]+, Rule of HR True"
+150.0629	6700390
+161.05957	43727944	"Theoretical m/z 161.059707, Mass diff 0 (0.85 ppm), SMILES OC1=CC=C(C(=C1)CO)CCC, Annotation [C10H14O2-5H]+, Rule of HR True"
+162.06734	8726489	"Theoretical m/z 162.067526, Mass diff 0 (1.15 ppm), SMILES O1C=2C=CC(=CC=2(OC1))CCC, Annotation [C10H12O2-2H]+, Rule of HR False"
+163.03882	10274819	"Theoretical m/z 163.038965, Mass diff 0 (0.89 ppm), SMILES OCC1=CC=2OCOC=2(C=C1C), Annotation [C9H10O3-3H]+, Rule of HR True"
+164.08301	3430856	"Theoretical m/z 164.083176, Mass diff 0 (1.01 ppm), SMILES O1C=2C=CC(=CC=2(OC1))CCC, Annotation [C10H12O2]+, Rule of HR False"
+165.09085	3876032	"Theoretical m/z 165.091001, Mass diff 0 (0.92 ppm), SMILES O1C=2C=CC(=CC=2(OC1))CCC, Annotation [C10H12O2+H]+, Rule of HR True"
+175.07539	27978174	"Theoretical m/z 175.075362, Mass diff 0 (0.16 ppm), SMILES OCC1=CC(OC)=CC=C1CCC, Annotation [C11H16O2-5H]+, Rule of HR True"
+176.08305	328996704	"Theoretical m/z 176.083182, Mass diff 0 (0.75 ppm), SMILES O1C=2C=C(C(=CC=2(OC1))CCC)C, Annotation [C11H14O2-2H]+, Rule of HR False"
+177.09068	92861648	"Theoretical m/z 177.091007, Mass diff 0 (1.85 ppm), SMILES O1C=2C=C(C(=CC=2(OC1))CCC)C, Annotation [C11H14O2-H]+, Rule of HR True"
+178.09392	10456736
+191.07005	7864348	"Theoretical m/z 191.070266, Mass diff 0 (1.13 ppm), SMILES OC=1C=C(C(=CC=1(O))CCC)COC, Annotation [C11H16O3-5H]+, Rule of HR True"
+193.0858	17605496	"Theoretical m/z 193.085926, Mass diff 0 (0.65 ppm), SMILES OCC1=CC=2OCOC=2(C=C1CCC), Annotation [C11H14O3-H]+, Rule of HR True"
+
+NAME: Prometon
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1691.2
+PRECURSORMZ: 225.15822
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H19N5O
+INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)NC1=NC(=NC(=N1)OC)NC(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 47
+68.02428	2751624	"Theoretical m/z 68.024872, Mass diff 0 (0 ppm), Formula C2H2N3"
+69.04466	3023601	"Theoretical m/z 69.044725, Mass diff 0 (0.94 ppm), SMILES N=CNCC, Annotation [C3H8N2-3H]+, Rule of HR True"
+69.06982	3461157	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+70.07766	1132808	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+82.03992	976039	"Theoretical m/z 82.039969, Mass diff 0 (0.6 ppm), SMILES N=C(N)NCC, Annotation [C3H9N3-5H]+, Rule of HR True"
+83.0603	5070169	"Theoretical m/z 83.060373, Mass diff 0 (0.88 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-3H]+, Rule of HR True"
+84.04434	2236411	"Theoretical m/z 84.044939, Mass diff 0 (0 ppm), Formula C4H6NO"
+84.09331	1905358	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+86.0348	1494627	"Theoretical m/z 86.035437, Mass diff 0 (0 ppm), Formula C2H4N3O"
+94.03992	2474922
+95.02392	1317086	"Theoretical m/z 95.024538, Mass diff 0 (0 ppm), Formula C4H3N2O"
+95.08546	1031009	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.10114	760159	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+97.55541	4614178
+98.07116	1062604
+99.06643	1358655	"Theoretical m/z 99.067071, Mass diff 0 (0 ppm), Formula C3H7N4"
+100.05044	5048070	"Theoretical m/z 100.050541, Mass diff 0 (1.01 ppm), SMILES N=C(N=COC)N, Annotation [C3H7N3O-H]+, Rule of HR True"
+101.07087	1970438	"Theoretical m/z 101.071488, Mass diff 0 (0 ppm), Formula C4H9N2O"
+109.03963	1267097	"Theoretical m/z 109.040188, Mass diff 0 (0 ppm), Formula C5H5N2O"
+110.07121	6065328	"Theoretical m/z 110.071275, Mass diff 0 (0.59 ppm), SMILES N=C(N=C)NC(C)C, Annotation [C5H11N3-3H]+, Rule of HR True"
+111.05386	10663729
+112.05042	14114718	"Theoretical m/z 112.050535, Mass diff 0 (1.03 ppm), SMILES N=1C=NC(=NC=1)OC, Annotation [C4H5N3O+H]+, Rule of HR True"
+113.05373	766483
+125.04566	2500833	"Theoretical m/z 125.045787, Mass diff 0 (1.02 ppm), SMILES N1=CN=C(N=C1OC)N, Annotation [C4H6N4O-H]+, Rule of HR True"
+126.06604	7498278	"Theoretical m/z 126.066186, Mass diff 0 (1.16 ppm), SMILES N=C(N=COC)NCC, Annotation [C5H11N3O-3H]+, Rule of HR True"
+127.06126	1491442	"Theoretical m/z 127.061438, Mass diff 0 (1.4 ppm), SMILES N1=CN=C(N=C1OC)N, Annotation [C4H6N4O+H]+, Rule of HR True"
+136.05043	4338152	"Theoretical m/z 136.051087, Mass diff 0 (0 ppm), Formula C6H6N3O"
+140.05655	3208977	"Theoretical m/z 140.05669, Mass diff 0 (1 ppm), SMILES N=1C(=NC(=NC=1N)N)OC, Annotation [C4H7N5O-H]+, Rule of HR True"
+141.06436	12512639
+142.07219	993906	"Theoretical m/z 142.07234, Mass diff 0 (1.06 ppm), SMILES N=1C(=NC(=NC=1N)N)OC, Annotation [C4H7N5O+H]+, Rule of HR True"
+153.07695	10450584	"Theoretical m/z 153.077091, Mass diff 0 (0.92 ppm), SMILES N1=CN=C(N=C1OC)NCC, Annotation [C6H10N4O-H]+, Rule of HR True"
+154.07194	1025389
+155.08	5296018
+166.07234	1408358	"Theoretical m/z 166.072336, Mass diff 0 (0.03 ppm), SMILES N=1C(=NC(=NC=1N)NCC)OC, Annotation [C6H11N5O-3H]+, Rule of HR True"
+168.08786	73700896	"Theoretical m/z 168.087986, Mass diff 0 (0.75 ppm), SMILES N=1C(=NC(=NC=1N)NCC)OC, Annotation [C6H11N5O-H]+, Rule of HR True"
+169.10817	11117154	"Theoretical m/z 169.108381, Mass diff 0 (1.25 ppm), SMILES N=1C=NC(=NC=1OC)NC(C)C, Annotation [C7H12N4O+H]+, Rule of HR True"
+180.08786	3734828	"Theoretical m/z 180.088535, Mass diff 0 (0 ppm), Formula C7H10N5O"
+182.10362	5242794	"Theoretical m/z 182.103641, Mass diff 0 (0.12 ppm), SMILES N1=C(N=C(N=C1N)NC(C)C)OC, Annotation [C7H13N5O-H]+, Rule of HR True"
+183.11137	45775268
+184.11462	4015244
+194.10358	1547560	"Theoretical m/z 194.103631, Mass diff 0 (0.26 ppm), SMILES N1=C(N=C(N=C1NC)NC(C)C)OC, Annotation [C8H15N5O-3H]+, Rule of HR True"
+208.11917	1591794	"Theoretical m/z 208.119835, Mass diff 0 (0 ppm), Formula C9H14N5O"
+210.13475	60775824	"Theoretical m/z 210.134937, Mass diff 0 (0.89 ppm), SMILES N1=C(N=C(N=C1NCC)NC(C)C)OC, Annotation [C9H17N5O-H]+, Rule of HR True"
+211.13792	7628588
+224.15044	6317938	"Theoretical m/z 224.151135, Mass diff 0 (0 ppm), Formula C10H18N5O"
+225.15822	34927512	"Theoretical m/z 225.158417, Mass diff 0 (0.88 ppm), SMILES N=1C(=NC(=NC=1NC(C)C)NC(C)C)OC, Annotation [C10H19N5O]+, Rule of HR False"
+226.16138	4281480
+
+NAME: Pyracarbolid
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2019.9
+PRECURSORMZ: 217.10979
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H15NO2
+INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(CCCO1)C(=O)NC2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 10
+77.03856	3917021	"Theoretical m/z 77.038578, Mass diff 0 (0.23 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05422	8946827	"Theoretical m/z 79.054228, Mass diff 0 (0.1 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+83.04912	9052159	"Theoretical m/z 83.049144, Mass diff 0 (0.29 ppm), SMILES O1C=CCCC1, Annotation [C5H8O-H]+, Rule of HR True"
+97.02841	32641360	"Theoretical m/z 97.028406, Mass diff 0 (0.05 ppm), SMILES O=CC=C(OC)C, Annotation [C5H8O2-3H]+, Rule of HR True"
+97.0648	4010509	"Theoretical m/z 97.064789, Mass diff 0 (0.12 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+107.04912	23107798	"Theoretical m/z 107.049141, Mass diff 0 (-0.2 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+125.05966	209932592	"Theoretical m/z 125.059703, Mass diff 0 (0.35 ppm), SMILES O=CC1=C(OCCC1)C, Annotation [C7H10O2-H]+, Rule of HR True"
+126.06287	15527146
+200.08316	4349250
+217.10979	13746689	"Theoretical m/z 217.109727, Mass diff 0 (0.29 ppm), SMILES O=C(NC1=CC=CC=C1)C2=C(OCCC2)C, Annotation [C13H15NO2]+, Rule of HR False"
+
+NAME: Pyrimethanil
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1769.7
+PRECURSORMZ: 199.10992
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H13N3
+INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 13
+77.03851	6917426	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+91.04161	7067286	"Theoretical m/z 91.041647, Mass diff 0 (0.41 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-2H]+, Rule of HR False"
+92.04941	4758966	"Theoretical m/z 92.049472, Mass diff 0 (0.68 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-H]+, Rule of HR True"
+118.05241	4881936	"Theoretical m/z 118.05255, Mass diff 0 (1.18 ppm), SMILES N=CNC1=CC=CC=C1, Annotation [C7H8N2-2H]+, Rule of HR False"
+156.06802	5442062	"Theoretical m/z 156.068203, Mass diff 0 (1.17 ppm), SMILES N(=CNC1=CC=CC=C1)C(=C)C, Annotation [C10H12N2-4H]+, Rule of HR False"
+157.07593	6352328	"Theoretical m/z 157.076028, Mass diff 0 (0.63 ppm), SMILES N(=CNC1=CC=CC=C1)C(=C)C, Annotation [C10H12N2-3H]+, Rule of HR True"
+182.07121	4998301	"Theoretical m/z 182.071822, Mass diff 0 (0 ppm), Formula C11H8N3"
+183.07904	18841738
+184.0869	7320156	"Theoretical m/z 184.086918, Mass diff 0 (0.1 ppm), SMILES N=1C=CC(=NC=1NC2=CC=CC=C2)C, Annotation [C11H11N3-H]+, Rule of HR True"
+197.09485	12245212
+198.10246	463726176	"Theoretical m/z 198.103122, Mass diff 0 (0 ppm), Formula C12H12N3"
+199.10992	118485328	"Theoretical m/z 199.110398, Mass diff 0 (2.4 ppm), SMILES N=1C(=NC(=CC=1C)C)NC2=CC=CC=C2, Annotation [C12H13N3]+, Rule of HR False"
+200.11342	13797146
+
+NAME: Pyriproxyfen
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2557.7
+PRECURSORMZ: 227.10194
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H19NO3
+INCHIKEY: NHDHVHZZCFYRSB-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 21
+77.03853	12218802	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.03381	30040410	"Theoretical m/z 78.033825, Mass diff 0 (0.19 ppm), SMILES N=1C=CC=CC=1, Annotation [C5H5N-H]+, Rule of HR True"
+91.05421	4334393	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+96.04433	71901920	"Theoretical m/z 96.044393, Mass diff 0 (0.66 ppm), SMILES OC=1N=CC=CC=1, Annotation [C5H5NO+H]+, Rule of HR True"
+97.04771	3934567
+97.10114	4101759	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+108.04433	8009188	"Theoretical m/z 108.044391, Mass diff 0 (0.57 ppm), SMILES N1=CC=CC=C1OC, Annotation [C6H7NO-H]+, Rule of HR True"
+115.05418	13444807	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+118.065	3962260	"Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N"
+128.06197	10594038	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06976	17224908	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+136.07562	390083008	"Theoretical m/z 136.075687, Mass diff 0 (0.49 ppm), SMILES N1=CC=CC=C1OC(C)C, Annotation [C8H11NO-H]+, Rule of HR True"
+137.07886	35430156
+141.06972	4588901	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+157.06473	6020804	"Theoretical m/z 157.06534, Mass diff 0 (0 ppm), Formula C11H9O"
+158.07248	5055606
+185.05966	11054870	"Theoretical m/z 185.059711, Mass diff 0 (0.28 ppm), SMILES OC2=CC=C(OC1=CC=CC=C1)C=C2, Annotation [C12H10O2-H]+, Rule of HR True"
+186.06741	15058622
+197.09601	9038012	"Theoretical m/z 197.09664, Mass diff 0 (0 ppm), Formula C14H13O"
+226.09866	33798860	"Theoretical m/z 226.098837, Mass diff 0 (0.78 ppm), SMILES O(C1=CC=CC=C1)C2=CC=C(OCCC)C=C2, Annotation [C15H16O2-2H]+, Rule of HR False"
+227.10194	5443980
+
+NAME: Quinoxyfen
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2403.2
+PRECURSORMZ: 306.99536
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H8Cl2FNO
+INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 43
+71.08535	3690320
+75.02278	3871532	"Theoretical m/z 75.022928, Mass diff 0 (1.97 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+83.04893	7475662	"Theoretical m/z 83.04969, Mass diff 0 (0 ppm), Formula C5H7O"
+83.08531	9634577
+84.09316	5193550
+90.52194	4003744
+98.01487	11763705
+99.02267	8747314	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+108.98373	3732242	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+112.04707	9610601
+114.03354	4868726	"Theoretical m/z 114.034374, Mass diff 0 (0 ppm), Formula C8H4N"
+119.08525	16197961
+124.01791	5321805	"Theoretical m/z 124.018724, Mass diff 0 (0 ppm), Formula C9H2N"
+130.0576	18882054
+132.98357	16983532	"Theoretical m/z 132.984503, Mass diff 0 (0 ppm), Formula C8H2Cl"
+133.99133	4908878
+134.98061	6085901
+136.01297	4568482
+147.06477	9921253
+161.00224	23929276	"Theoretical m/z 161.002676, Mass diff 0 (2.71 ppm), SMILES N=1C=CC=C2C=1C=CC=C2Cl, Annotation [C9H6ClN-2H]+, Rule of HR False"
+162.99937	7232312	"Theoretical m/z 162.998403, Mass diff -0.002 (0 ppm), Formula C12F"
+168.96019	7129829	"Theoretical m/z 168.96118, Mass diff 0 (0 ppm), Formula C8H3Cl2"
+170.95718	5383302
+181.04431	8330200	"Theoretical m/z 181.045353, Mass diff 0 (0 ppm), Formula C13H6F"
+182.05223	5141030
+195.97105	6089922	"Theoretical m/z 195.971531, Mass diff 0 (2.45 ppm), SMILES N=1C=CC=C2C=1C=C(C=C2Cl)Cl, Annotation [C9H5Cl2N-H]+, Rule of HR True"
+197.96817	3776264
+208.05524	20631402	"Theoretical m/z 208.056252, Mass diff 0 (0 ppm), Formula C14H7FN"
+209.06306	8008645
+236.0501	8847499	"Theoretical m/z 236.050622, Mass diff 0.001 (2.21 ppm), SMILES FC3=CC=C(OC=2C=CN=C1C=CC=CC1=2)C=C3, Annotation [C15H10FNO-3H]+, Rule of HR True"
+237.0578	349800608
+238.06108	55286884
+239.06459	3858008
+271.01874	38827492
+272.02661	143817152	"Theoretical m/z 272.027301, Mass diff 0.001 (2.54 ppm), SMILES FC3=CC=C(OC=2C=CN=C1C=CC=C(C1=2)Cl)C=C3, Annotation [C15H9ClFNO-H]+, Rule of HR True"
+273.02982	34825972
+274.02362	45996124
+275.02686	7083212
+306.99536	52685308	"Theoretical m/z 306.996156, Mass diff 0.001 (2.59 ppm), SMILES FC=3C=CC(OC=2C=CN=C1C=C(C=C(C1=2)Cl)Cl)=CC=3, Annotation [C15H8Cl2FNO]+, Rule of HR False"
+307.99881	9384550
+308.99237	33495866
+309.99588	4949194
+310.9892	4556004
+
+NAME: Triadimefon
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1987.9
+PRECURSORMZ: 293.09201
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H16ClN3O2
+INCHIKEY: WURBVZBTWMNKQT-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 51
+69.0698	1111708	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+70.03993	3578126	"Theoretical m/z 70.039976, Mass diff 0 (0.66 ppm), SMILES N=1C=NNC=1, Annotation [C2H3N3+H]+, Rule of HR True"
+72.98389	2018372	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+75.02289	4509864	"Theoretical m/z 75.022928, Mass diff 0 (0.5 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+82.03992	4331602	"Theoretical m/z 82.039974, Mass diff 0 (0.66 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+85.0647	1211007	"Theoretical m/z 85.064792, Mass diff 0 (1.08 ppm), SMILES O=CC(C)(C)C, Annotation [C5H10O-H]+, Rule of HR True"
+85.10111	1192896	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+90.03378	893639	"Theoretical m/z 90.034374, Mass diff 0 (0 ppm), Formula C6H4N"
+98.9995	10137261	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+100.00732	2389553
+100.9966	3175428
+102.0044	813722
+110.0348	9071550	"Theoretical m/z 110.034885, Mass diff 0 (0.77 ppm), SMILES O=CCN1N=CN=C1, Annotation [C4H5N3O-H]+, Rule of HR True"
+110.99942	4061353	"Theoretical m/z 110.999607, Mass diff 0 (1.68 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.99646	1324681
+118.05241	892837	"Theoretical m/z 118.053098, Mass diff 0 (0 ppm), Formula C7H6N2"
+125.01516	2088936	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+126.01041	3333168	"Theoretical m/z 126.011052, Mass diff 0 (0 ppm), Formula C6H5ClN"
+126.99438	14433380	"Theoretical m/z 126.994526, Mass diff 0 (1.15 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO-H]+, Rule of HR True"
+128.00217	21751192	"Theoretical m/z 128.002351, Mass diff 0 (1.41 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO]+, Rule of HR False"
+128.99136	6179512
+129.00554	1921449
+129.99927	6730274
+131.08539	647877	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+138.01036	1247783	"Theoretical m/z 138.011052, Mass diff 0 (0 ppm), Formula C7H5ClN"
+138.99438	6660464	"Theoretical m/z 138.994516, Mass diff 0 (0.98 ppm), SMILES O(C1=CC=C(C=C1)Cl)C, Annotation [C7H7ClO-3H]+, Rule of HR True"
+139.00558	3023264	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+140.00693	790928
+140.99138	2428412
+144.05545	785409	"Theoretical m/z 144.056172, Mass diff 0 (0 ppm), Formula C8H6N3"
+153.02124	2952232	"Theoretical m/z 153.021951, Mass diff 0 (0 ppm), Formula C7H6ClN2"
+154.00525	2240945	"Theoretical m/z 154.005426, Mass diff 0 (1.14 ppm), SMILES O(C1=CC=C(C=C1)Cl)CN, Annotation [C7H8ClNO-3H]+, Rule of HR True"
+154.09735	1305613	"Theoretical m/z 154.097486, Mass diff 0 (0.89 ppm), SMILES O=C(CN1N=CN=C1)C(C)C, Annotation [C7H11N3O+H]+, Rule of HR True"
+155.01819	1224395
+156.00227	835126	"Theoretical m/z 156, Mass diff -0.003 (0 ppm), Formula C13"
+166.00534	1217571	"Theoretical m/z 166.005416, Mass diff 0 (0.46 ppm), SMILES O(C1=CC=C(C=C1)Cl)CNC, Annotation [C8H10ClNO-5H]+, Rule of HR True"
+172.05035	4324536	"Theoretical m/z 172.050531, Mass diff 0 (1.05 ppm), SMILES N=1C=NN(C=1)COC2=CC=CC=C2, Annotation [C9H9N3O-3H]+, Rule of HR True"
+173.0583	1008394	"Theoretical m/z 173.058356, Mass diff 0 (0.32 ppm), SMILES N=1C=NN(C=1)COC2=CC=CC=C2, Annotation [C9H9N3O-2H]+, Rule of HR False"
+174.06609	1254813	"Theoretical m/z 174.066181, Mass diff 0 (0.52 ppm), SMILES N=1C=NN(C=1)COC2=CC=CC=C2, Annotation [C9H9N3O-H]+, Rule of HR True"
+180.03217	12462942	"Theoretical m/z 180.03285, Mass diff 0 (0 ppm), Formula C8H7ClN3"
+181.01613	26446568	"Theoretical m/z 181.016321, Mass diff 0 (1.05 ppm), SMILES N=CNCOC1=CC=C(C=C1)Cl, Annotation [C8H9ClN2O-3H]+, Rule of HR True"
+182.02908	6648468
+183.01324	8108028
+184.01648	818744
+208.02708	64727580	"Theoretical m/z 208.02721, Mass diff 0 (0.62 ppm), SMILES N=1C=NN(C=1)COC2=CC=C(C=C2)Cl, Annotation [C9H8ClN3O-H]+, Rule of HR True"
+209.03032	7561306
+210.024	20549652
+211.02725	2310860
+236.02193	3909898	"Theoretical m/z 236.022129, Mass diff 0 (0.84 ppm), SMILES O=CC(OC1=CC=C(C=C1)Cl)N2N=CN=C2, Annotation [C10H8ClN3O2-H]+, Rule of HR True"
+238.01897	1212142	"Theoretical m/z 238.0172, Mass diff -0.002 (0 ppm), Formula C13H5ClN3"
+258.1236	1083963	"Theoretical m/z 258.123706, Mass diff 0 (0.41 ppm), SMILES O=C(C(OC1=CC=CC=C1)N2N=CN=C2)C(C)(C)C, Annotation [C14H17N3O2-H]+, Rule of HR True"
+
+NAME: Trifloxystrobin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2399
+PRECURSORMZ: 378.11429
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H19F3N2O4
+INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C2=CC(=CC=C2)C(F)(F)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 47
+76.03077	2349120	"Theoretical m/z 76.030753, Mass diff 0 (0.23 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+77.0386	3529780	"Theoretical m/z 77.038578, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+89.0386	27915740	"Theoretical m/z 89.038575, Mass diff 0 (0.28 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04646	9030304	"Theoretical m/z 90.046401, Mass diff 0 (0.66 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+95.0292	2826183	"Theoretical m/z 95.029703, Mass diff 0 (0 ppm), Formula C6H4F"
+102.04642	1818823	"Theoretical m/z 102.046398, Mass diff 0 (0.21 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05426	6413380	"Theoretical m/z 103.054223, Mass diff 0 (0.36 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+104.04949	5908103	"Theoretical m/z 104.050024, Mass diff 0 (0 ppm), Formula C7H6N"
+105.06995	4269123	"Theoretical m/z 105.069873, Mass diff 0 (0.73 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+114.02768	1992198
+115.05432	5094566	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04951	159353312	"Theoretical m/z 116.049478, Mass diff 0 (0.28 ppm), SMILES N=C(C1=CC=CC=C1)C, Annotation [C8H9N-3H]+, Rule of HR True"
+117.05725	31307394	"Theoretical m/z 117.057303, Mass diff 0 (0.45 ppm), SMILES N=C(C1=CC=CC=C1)C, Annotation [C8H9N-2H]+, Rule of HR False"
+118.06508	21118198	"Theoretical m/z 118.065128, Mass diff 0 (0.41 ppm), SMILES N=C(C1=CC=CC=C1)C, Annotation [C8H9N-H]+, Rule of HR True"
+119.04916	8297934	"Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O"
+125.01978	6490344	"Theoretical m/z 125.019739, Mass diff 0 (0.33 ppm), SMILES FC(F)C=1C=CC=CC=1, Annotation [C7H6F2-3H]+, Rule of HR True"
+126.02753	2362859
+127.03541	2791006	"Theoretical m/z 127.035389, Mass diff 0 (0.17 ppm), SMILES FC(F)C=1C=CC=CC=1, Annotation [C7H6F2-H]+, Rule of HR True"
+130.06522	32987810	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+131.07297	94519544	"Theoretical m/z 131.073499, Mass diff 0 (0 ppm), Formula C9H9N"
+132.04437	8298506	"Theoretical m/z 132.044397, Mass diff 0 (0.2 ppm), SMILES N(OC)=CC=1C=CC=CC=1, Annotation [C8H9NO-3H]+, Rule of HR True"
+132.08072	37190452	"Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N"
+133.02596	3433208	"Theoretical m/z 133.02651, Mass diff 0 (0 ppm), Formula C6H4F3"
+133.08406	5287977
+143.03664	3247888	"Theoretical m/z 143.037114, Mass diff 0 (0 ppm), Formula C9H5NO"
+145.026	37873796	"Theoretical m/z 145.025959, Mass diff 0 (0.28 ppm), SMILES FC(F)(F)C=1C=CC=CC=1, Annotation [C7H5F3-H]+, Rule of HR True"
+146.06004	27890482	"Theoretical m/z 146.060037, Mass diff 0 (0.02 ppm), SMILES N(OC)=C(C1=CC=CC=C1)C, Annotation [C9H11NO-3H]+, Rule of HR True"
+147.0634	2722816
+151.0354	6957766	"Theoretical m/z 151.035932, Mass diff 0 (0 ppm), Formula C9H5F2"
+152.03066	2688241	"Theoretical m/z 152.031181, Mass diff 0 (0 ppm), Formula C8H4F2N"
+154.04631	2096854	"Theoretical m/z 154.046831, Mass diff 0 (0 ppm), Formula C8H6F2N"
+162.05501	20077948	"Theoretical m/z 162.05495, Mass diff 0 (0.37 ppm), SMILES O=CC(=NOC)C=1C=CC=CC=1, Annotation [C9H9NO2-H]+, Rule of HR True"
+163.05827	2185726
+171.04164	3095879	"Theoretical m/z 171.04216, Mass diff 0 (0 ppm), Formula C9H6F3"
+172.0369	6809738	"Theoretical m/z 172.036853, Mass diff 0 (0.27 ppm), SMILES FC(F)(F)C1=CC=CC(C=N)=C1, Annotation [C8H6F3N-H]+, Rule of HR True"
+173.03223	6901336	"Theoretical m/z 173.032658, Mass diff 0 (0 ppm), Formula C7H4F3N2"
+174.05248	2669654
+175.0629	3863025	"Theoretical m/z 175.062781, Mass diff 0 (0.68 ppm), SMILES O=CC(=NOC)C1=CC=CC=C1C, Annotation [C10H11NO2-2H]+, Rule of HR False"
+186.0526	40954568	"Theoretical m/z 186.052509, Mass diff 0 (0.49 ppm), SMILES FC(F)(F)C1=CC=CC(=C1)C(=N)C, Annotation [C9H8F3N-H]+, Rule of HR True"
+187.05591	5598345
+190.0499	50615364	"Theoretical m/z 190.049875, Mass diff 0 (0.13 ppm), SMILES O=C(OC)C(=NO)C1=CC=CC=C1C, Annotation [C10H11NO3-3H]+, Rule of HR True"
+191.05321	5328972
+198.0726	6824030	"Theoretical m/z 198.072498, Mass diff 0 (0.52 ppm), SMILES FC(F)C1=CC=CC(=C1)C(=NOC)C, Annotation [C10H11F2NO-H]+, Rule of HR True"
+222.07617	18071806	"Theoretical m/z 222.076084, Mass diff 0 (0.39 ppm), SMILES O=C(OC)C(=NOC)C1=CC=CC=C1CO, Annotation [C11H13NO4-H]+, Rule of HR True"
+223.07939	2056080
+317.08978	1625869	"Theoretical m/z 317.089624, Mass diff 0 (0.49 ppm), SMILES FC(F)(F)C1=CC=CC(=C1)C(=NOCC2=CC=CC=C2(C=N))C, Annotation [C17H15F3N2O-3H]+, Rule of HR True"
+377.11093	3375252	"Theoretical m/z 377.110767, Mass diff 0 (0.43 ppm), SMILES O=CC(=NOC)C1=CC=CC=C1CON=C(C=2C=CC=C(C=2)C(F)(F)F)C, Annotation [C19H17F3N2O3-H]+, Rule of HR True"
+
+NAME: Zoxamide
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2453.9
+PRECURSORMZ: 302.05176
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H16Cl3NO2
+INCHIKEY: SOUGWDPPRBKJEX-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 27
+71.08549	4894130	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+83.08546	2463866	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+85.10114	6136617	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+89.03851	10426542	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+97.10114	2379100	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+98.99954	2727276	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+122.99947	21819862	"Theoretical m/z 122.999605, Mass diff 0 (1.09 ppm), SMILES C=1C=CC(=C(C=1)C)Cl, Annotation [C7H7Cl-3H]+, Rule of HR True"
+124.00735	7248337
+124.99656	7716950
+132.9605	2578469	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+152.00223	2575326	"Theoretical m/z 152.002341, Mass diff 0 (0.73 ppm), SMILES O=CC=1C=CC(=C(C=1)Cl)C, Annotation [C8H7ClO-2H]+, Rule of HR False"
+158.9762	23522288	"Theoretical m/z 158.976276, Mass diff 0 (0.48 ppm), SMILES C1=CC(=C(C(=C1)Cl)C)Cl, Annotation [C7H6Cl2-H]+, Rule of HR True"
+159.97955	2710254
+160.97324	14921559
+162.97024	2435100
+185.98726	3672400	"Theoretical m/z 185.98773, Mass diff 0 (0 ppm), Formula C8H6Cl2N"
+186.97118	225511120	"Theoretical m/z 186.971195, Mass diff 0 (0.08 ppm), SMILES O=CC1=CC(=C(C(=C1)Cl)C)Cl, Annotation [C8H6Cl2O-H]+, Rule of HR True"
+187.97441	22084182
+188.96802	144975712
+189.97128	13345054
+190.96501	23660854
+242.01321	2881578	"Theoretical m/z 242.013391, Mass diff 0 (0.75 ppm), SMILES O=C(NC(C)C)C1=CC(=C(C(=C1)Cl)C)Cl, Annotation [C11H13Cl2NO-3H]+, Rule of HR True"
+258.04462	61431764	"Theoretical m/z 258.044696, Mass diff 0 (0.3 ppm), SMILES O=C(NC(C)CC)C1=CC(=C(C(=C1)Cl)C)Cl, Annotation [C12H15Cl2NO-H]+, Rule of HR True"
+259.04797	7882094
+260.04159	39665400	"Theoretical m/z 260.037572, Mass diff -0.005 (0 ppm), Formula C9H17Cl3NO"
+261.04489	4999478
+262.0386	6661878
+
+NAME: Secbumeton
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1805
+PRECURSORMZ: 225.15822
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H19N5O
+INCHIKEY: ZJMZZNVGNSWOOM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC(C)NC1=NC(=NC(=N1)NCC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 38
+68.02428	2536474	"Theoretical m/z 68.024322, Mass diff 0 (0.61 ppm), SMILES N=C(N)NC, Annotation [C2H7N3-5H]+, Rule of HR True"
+69.00827	3625503	"Theoretical m/z 69.008888, Mass diff 0 (0 ppm), Formula C2HN2O"
+69.0698	3785026	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+83.0603	4367641	"Theoretical m/z 83.060373, Mass diff 0 (0.88 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-3H]+, Rule of HR True"
+85.07596	5908666	"Theoretical m/z 85.076023, Mass diff 0 (0.74 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-H]+, Rule of HR True"
+90.5476	2567741
+94.03992	3164756
+96.05552	1798457	"Theoretical m/z 96.05562, Mass diff 0 (1.04 ppm), SMILES N=CN=CNCC, Annotation [C4H9N3-3H]+, Rule of HR True"
+97.03958	2743575	"Theoretical m/z 97.039641, Mass diff 0 (0.63 ppm), SMILES N(=COC)CNC, Annotation [C4H10N2O-5H]+, Rule of HR True"
+98.0348	1311716	"Theoretical m/z 98.03489, Mass diff 0 (0.92 ppm), SMILES N=C(N=CN)OC, Annotation [C3H7N3O-3H]+, Rule of HR True"
+100.05043	3726060	"Theoretical m/z 100.050541, Mass diff 0 (1.11 ppm), SMILES N=C(N=CN)OC, Annotation [C3H7N3O-H]+, Rule of HR True"
+101.07088	3852229	"Theoretical m/z 101.070942, Mass diff 0 (0.61 ppm), SMILES N(=COC)CNC, Annotation [C4H10N2O-H]+, Rule of HR True"
+111.05384	3881451
+112.05041	11375411	"Theoretical m/z 112.050535, Mass diff 0 (1.12 ppm), SMILES N=1C=NC(=NC=1)OC, Annotation [C4H5N3O+H]+, Rule of HR True"
+122.07112	3966912	"Theoretical m/z 122.071273, Mass diff 0 (1.25 ppm), SMILES N=C(N=C)NC(C)CC, Annotation [C6H13N3-5H]+, Rule of HR True"
+126.06602	5059724	"Theoretical m/z 126.066186, Mass diff 0 (1.32 ppm), SMILES N=C(N=COC)NCC, Annotation [C5H11N3O-3H]+, Rule of HR True"
+128.08166	2311864	"Theoretical m/z 128.081836, Mass diff 0 (1.38 ppm), SMILES N=C(N=COC)NCC, Annotation [C5H11N3O-H]+, Rule of HR True"
+136.08681	1428437	"Theoretical m/z 136.088815, Mass diff 0.001 (0 ppm), Formula C9H12O"
+139.06131	3973089	"Theoretical m/z 139.061435, Mass diff 0 (0.9 ppm), SMILES N1=CN=C(N=C1OC)NC, Annotation [C5H8N4O-H]+, Rule of HR True"
+140.08171	2328227	"Theoretical m/z 140.081842, Mass diff 0 (0.94 ppm), SMILES N=C(N=CNC(C)C)OC, Annotation [C6H13N3O-3H]+, Rule of HR True"
+141.06435	4352568
+153.07692	1193145	"Theoretical m/z 153.077091, Mass diff 0 (1.12 ppm), SMILES N1=CN=C(N=C1OC)NCC, Annotation [C6H10N4O-H]+, Rule of HR True"
+154.07214	15433577	"Theoretical m/z 154.07233, Mass diff 0 (1.23 ppm), SMILES N=1C(=NC(=NC=1N)NC)OC, Annotation [C5H9N5O-H]+, Rule of HR True"
+155.0755	1336012
+166.07227	2575524	"Theoretical m/z 166.072336, Mass diff 0 (0.39 ppm), SMILES N1=C(N=C(N=C1N)NCC)OC, Annotation [C6H11N5O-3H]+, Rule of HR True"
+167.09264	1201472	"Theoretical m/z 167.092731, Mass diff 0 (0.55 ppm), SMILES N=1C=NC(=NC=1OC)NC(C)C, Annotation [C7H12N4O-H]+, Rule of HR True"
+168.08791	8918757	"Theoretical m/z 168.087986, Mass diff 0 (0.45 ppm), SMILES N=1C(=NC(=NC=1N)NCC)OC, Annotation [C6H11N5O-H]+, Rule of HR True"
+169.09564	30957818
+170.09901	3806603
+180.08788	1459704	"Theoretical m/z 180.087991, Mass diff 0 (0.62 ppm), SMILES N1=C(N=C(N=C1N)NC(C)C)OC, Annotation [C7H13N5O-3H]+, Rule of HR True"
+182.10356	2942981	"Theoretical m/z 182.103641, Mass diff 0 (0.45 ppm), SMILES N1=C(N=C(N=C1N)NC(C)C)OC, Annotation [C7H13N5O-H]+, Rule of HR True"
+194.10364	2253251	"Theoretical m/z 194.103631, Mass diff 0 (0.04 ppm), SMILES N=1C(=NC(=NC=1NCC)NCC)OC, Annotation [C8H15N5O-3H]+, Rule of HR True"
+196.11914	107096280	"Theoretical m/z 196.119281, Mass diff 0 (0.72 ppm), SMILES N1=C(N=C(N=C1N)NC(C)CC)OC, Annotation [C8H15N5O-H]+, Rule of HR True"
+197.12239	16705590
+210.13474	29017862	"Theoretical m/z 210.134937, Mass diff 0 (0.94 ppm), SMILES N1=C(N=C(N=C1NCC)NC(C)C)OC, Annotation [C9H17N5O-H]+, Rule of HR True"
+211.13794	3186907
+224.15036	1578477	"Theoretical m/z 224.151135, Mass diff 0 (0 ppm), Formula C10H18N5O"
+225.15822	5872890	"Theoretical m/z 225.158417, Mass diff 0 (0.88 ppm), SMILES N1=C(N=C(N=C1NCC)NC(C)CC)OC, Annotation [C10H19N5O]+, Rule of HR False"
+
+NAME: Fenazaquin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2559
+PRECURSORMZ: 291.1489
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H22N2O
+INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 19
+91.05424	29796178	"Theoretical m/z 91.054226, Mass diff 0 (0.16 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+103.05421	9813370	"Theoretical m/z 103.054223, Mass diff 0 (0.13 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+105.0699	7373558	"Theoretical m/z 105.069873, Mass diff 0 (0.25 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+115.05423	23424368	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06204	7080676	"Theoretical m/z 116.062054, Mass diff 0 (0.12 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.06983	99141440	"Theoretical m/z 117.069879, Mass diff 0 (0.42 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+118.07314	13615038
+128.062	12843312	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06981	18470830	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07768	15199084
+131.08551	15254890	"Theoretical m/z 131.085519, Mass diff 0 (0.07 ppm), SMILES C=1C=C(C=CC=1C)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+143.08568	5312696	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+145.03969	5917826	"Theoretical m/z 145.039646, Mass diff 0 (0.3 ppm), SMILES OC1=NC=NC2=CC=CC=C12, Annotation [C8H6N2O-H]+, Rule of HR True"
+145.10114	482621536	"Theoretical m/z 145.101175, Mass diff 0 (0.24 ppm), SMILES C=1C=C(C=CC=1CC)C(C)C, Annotation [C11H16-3H]+, Rule of HR True"
+146.0473	8142022
+146.10434	65757656
+147.05507	7510350	"Theoretical m/z 147.055296, Mass diff 0 (1.54 ppm), SMILES OC1=NC=NC2=CC=CC=C12, Annotation [C8H6N2O+H]+, Rule of HR True"
+160.1246	89941752	"Theoretical m/z 160.124655, Mass diff 0 (0.34 ppm), SMILES C=1C=C(C=CC=1CC)C(C)(C)C, Annotation [C12H18-2H]+, Rule of HR False"
+161.12795	11839840
+
+NAME: Spiroxamine_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1859.1
+PRECURSORMZ: 296.25861
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H35NO2
+INCHIKEY: PUYXTUJWRLOUCW-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 8
+72.08073	17986270	"Theoretical m/z 72.080772, Mass diff 0 (-0.59 ppm), SMILES CC=[N+](C)C, Annotation [C4H10N]+, Rule of HR True"
+84.08079	1907223	"Theoretical m/z 84.080772, Mass diff 0 (0.21 ppm), SMILES C[N+]1=CCCC1, Annotation [C5H10N]+, Rule of HR True"
+98.09646	2189047	"Theoretical m/z 98.096428, Mass diff 0 (0.33 ppm), SMILES C[N+]1=CCCCC1, Annotation [C6H12N]+, Rule of HR True"
+100.11201	89679136	"Theoretical m/z 100.112072, Mass diff 0 (0.62 ppm), SMILES N(C)(CC)CCC, Annotation [C6H15N-H]+, Rule of HR True"
+101.11532	5341148
+126.12765	8918089	"Theoretical m/z 126.127725, Mass diff 0 (0.59 ppm), SMILES N(CC)(CCC)CCC, Annotation [C8H19N-3H]+, Rule of HR True"
+144.13825	3147086	"Theoretical m/z 144.138294, Mass diff 0 (0.3 ppm), SMILES OC(C)CN(CC)CCC, Annotation [C8H19NO-H]+, Rule of HR True"
+198.14877	2667614	"Theoretical m/z 198.148858, Mass diff 0 (0.45 ppm), SMILES O1CC(OC1(C)C)CN(CC)CCC, Annotation [C11H23NO2-3H]+, Rule of HR True"
+
+NAME: Spiroxamine_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1907.2
+PRECURSORMZ: 283.24594
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H35NO2
+INCHIKEY: PUYXTUJWRLOUCW-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 17
+70.07771	1247348	"Theoretical m/z 70.077704, Mass diff 0 (0.09 ppm), SMILES CC(C)(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+71.08553	4438380	"Theoretical m/z 71.085529, Mass diff 0 (0.01 ppm), SMILES CC(C)(C)C, Annotation [C5H12-H]+, Rule of HR True"
+72.08075	21681590	"Theoretical m/z 72.080772, Mass diff 0 (-0.31 ppm), SMILES CC=[N+](C)C, Annotation [C4H10N]+, Rule of HR True"
+84.08082	2702855	"Theoretical m/z 84.080772, Mass diff 0 (0.57 ppm), SMILES C[N+]1=CCCC1, Annotation [C5H10N]+, Rule of HR True"
+85.10118	5379790	"Theoretical m/z 85.101177, Mass diff 0 (0.04 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-H]+, Rule of HR True"
+86.0964	1119075	"Theoretical m/z 86.096424, Mass diff 0 (0.28 ppm), SMILES N(CC)CCC, Annotation [C5H13N-H]+, Rule of HR True"
+98.06005	1898973	"Theoretical m/z 98.060042, Mass diff 0 (0.08 ppm), SMILES OCCN(C)CC, Annotation [C5H13NO-5H]+, Rule of HR True"
+100.11203	108052168	"Theoretical m/z 100.112072, Mass diff 0 (0.42 ppm), SMILES N(C)(CC)CCC, Annotation [C6H15N-H]+, Rule of HR True"
+101.1154	7179882
+115.05421	1144964	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+126.12769	10329190	"Theoretical m/z 126.127725, Mass diff 0 (0.28 ppm), SMILES N(CC)(CCC)CCC, Annotation [C8H19N-3H]+, Rule of HR True"
+127.13104	1127004
+134.09638	1242509	"Theoretical m/z 134.096974, Mass diff 0 (0 ppm), Formula C9H12N"
+144.08075	2208945	"Theoretical m/z 144.081324, Mass diff 0 (0 ppm), Formula C10H10N"
+144.13828	3677776	"Theoretical m/z 144.138294, Mass diff 0 (0.1 ppm), SMILES OC(C)CN(CC)CCC, Annotation [C8H19NO-H]+, Rule of HR True"
+198.14885	3092894	"Theoretical m/z 198.148858, Mass diff 0 (0.04 ppm), SMILES O1CC(OC1(C)C)CN(CC)CCC, Annotation [C11H23NO2-3H]+, Rule of HR True"
+231.12546	1844877
+
+NAME: Amitraz
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2563.6
+PRECURSORMZ: 293.18842
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H23N3
+INCHIKEY: QXAITBQSYVNQDR-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 42
+77.03853	11607512	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04638	3381960	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05419	11829517	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+80.05753	1057981
+89.03851	1668980	"Theoretical m/z 89.038575, Mass diff 0 (0.74 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+91.05421	7738122	"Theoretical m/z 91.054226, Mass diff 0 (0.17 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+93.06988	1955324	"Theoretical m/z 93.069876, Mass diff 0 (0.05 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+102.04637	1256329	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05418	10678335	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.062	2496212	"Theoretical m/z 104.062048, Mass diff 0 (0.47 ppm), SMILES C=1C=C(C=C(C=1)C)C, Annotation [C8H10-2H]+, Rule of HR False"
+105.06987	6488164	"Theoretical m/z 105.069873, Mass diff 0 (0.03 ppm), SMILES C=1C=C(C=C(C=1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+106.06508	40154944	"Theoretical m/z 106.065128, Mass diff 0 (0.45 ppm), SMILES NC1=CC=C(C=C1)C, Annotation [C7H9N-H]+, Rule of HR True"
+107.06845	4356810
+115.05421	1151959	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04944	2413715	"Theoretical m/z 116.049478, Mass diff 0 (0.33 ppm), SMILES N(=C)C1=CC=C(C=C1)C, Annotation [C8H9N-3H]+, Rule of HR True"
+117.05724	24576690	"Theoretical m/z 117.057303, Mass diff 0 (0.54 ppm), SMILES N(=C)C1=CC=C(C=C1)C, Annotation [C8H9N-2H]+, Rule of HR False"
+118.0776	28662476
+119.08104	3739030
+120.08071	35937676	"Theoretical m/z 120.080778, Mass diff 0 (0.57 ppm), SMILES N(=C)C1=CC=C(C=C1)C, Annotation [C8H9N+H]+, Rule of HR True"
+121.08849	68741432	"Theoretical m/z 121.088601, Mass diff 0 (0.92 ppm), SMILES NC=1C=CC(=CC=1C)C, Annotation [C8H11N]+, Rule of HR False"
+122.09184	6032280
+130.06511	11820231	"Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N"
+131.07291	27909958	"Theoretical m/z 131.072943, Mass diff 0 (0.25 ppm), SMILES N(=C)C=1C=CC(=CC=1C)C, Annotation [C9H11N-2H]+, Rule of HR False"
+132.08066	103503696	"Theoretical m/z 132.080768, Mass diff 0 (0.82 ppm), SMILES N(=C)C=1C=CC(=CC=1C)C, Annotation [C9H11N-H]+, Rule of HR True"
+133.084	13301065
+134.09628	3450954	"Theoretical m/z 134.096418, Mass diff 0 (1.03 ppm), SMILES N(=C)C=1C=CC(=CC=1C)C, Annotation [C9H11N+H]+, Rule of HR True"
+144.08072	3276743	"Theoretical m/z 144.081324, Mass diff 0 (0 ppm), Formula C10H10N"
+145.07594	6188317	"Theoretical m/z 145.076028, Mass diff 0 (0.61 ppm), SMILES N(=CN)C=1C=CC(=CC=1C)C, Annotation [C9H12N2-3H]+, Rule of HR True"
+146.09634	5274995	"Theoretical m/z 146.096974, Mass diff 0 (0 ppm), Formula C10H12N"
+147.09152	92532976	"Theoretical m/z 147.091678, Mass diff 0 (1.08 ppm), SMILES N(=CN)C=1C=CC(=CC=1C)C, Annotation [C9H12N2-H]+, Rule of HR True"
+148.09486	9753271
+161.10727	32238742	"Theoretical m/z 161.107319, Mass diff 0 (0.3 ppm), SMILES N(=CNC)C=1C=CC(=CC=1C)C, Annotation [C10H14N2-H]+, Rule of HR True"
+162.11499	83085216
+163.11838	12535005
+173.10735	1486529	"Theoretical m/z 173.107873, Mass diff 0 (0 ppm), Formula C11H13N2"
+188.11812	2114602	"Theoretical m/z 188.118229, Mass diff 0 (0.58 ppm), SMILES N=CN(C=NC=1C=CC(=CC=1C)C)C, Annotation [C11H15N3-H]+, Rule of HR True"
+235.13565	2382583
+236.14351	2829296	"Theoretical m/z 236.143925, Mass diff 0 (0 ppm), Formula C17H18N"
+251.15424	1533619	"Theoretical m/z 251.154824, Mass diff 0 (0 ppm), Formula C17H19N2"
+278.16504	2814606	"Theoretical m/z 278.16518, Mass diff 0 (0.5 ppm), SMILES N(=CNC=NC=1C=CC(=CC=1C)C)C=2C=CC(=CC=2C)C, Annotation [C18H21N3-H]+, Rule of HR True"
+293.18842	24218958	"Theoretical m/z 293.18866, Mass diff 0 (0.82 ppm), SMILES N(=CN(C=NC=1C=CC(=CC=1C)C)C)C=2C=CC(=CC=2C)C, Annotation [C19H23N3]+, Rule of HR False"
+294.19205	5052510
+
+NAME: Tebufenpyrad
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2493.5
+PRECURSORMZ: 333.16003
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H24ClN3O
+INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 68
+77.03853	2877176	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05422	2512908	"Theoretical m/z 79.054228, Mass diff 0 (0.1 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+87.99484	4861388	"Theoretical m/z 87.994851, Mass diff 0 (0.13 ppm), SMILES C(=CCl)NC, Annotation [C3H6ClN-3H]+, Rule of HR True"
+89.03854	3264413	"Theoretical m/z 89.038575, Mass diff 0 (0.4 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+89.99192	2873234
+91.05421	22371154	"Theoretical m/z 91.054226, Mass diff 0 (0.17 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05753	2301532
+93.0699	3418672	"Theoretical m/z 93.069876, Mass diff 0 (0.26 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+102.0105	3291047	"Theoretical m/z 102.010507, Mass diff 0 (0.07 ppm), SMILES N=C(CC)CCl, Annotation [C4H8ClN-3H]+, Rule of HR True"
+103.05419	4268392	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06199	3615081	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06987	5529640	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.08545	2127991	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+115.05418	14258487	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06199	5879878	"Theoretical m/z 116.062054, Mass diff 0 (0.55 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.02132	8892781	"Theoretical m/z 117.021398, Mass diff 0 (0.67 ppm), SMILES N1=CC(=CN1C)Cl, Annotation [C4H5ClN2+H]+, Rule of HR True"
+117.0698	27745264	"Theoretical m/z 117.069879, Mass diff 0 (0.67 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+118.0731	4349384
+119.01841	2942055
+119.0855	8165821	"Theoretical m/z 119.085529, Mass diff 0 (0.24 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-H]+, Rule of HR True"
+128.06195	6287362	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06976	5933126	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07758	3589078
+131.08546	44846744	"Theoretical m/z 131.085519, Mass diff 0 (0.45 ppm), SMILES C=1C=C(C=CC=1C)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+132.08881	12037016
+133.05216	4645752	"Theoretical m/z 133.052707, Mass diff 0.001 (4.11 ppm), SMILES N(NC)=C(CC)CCl, Annotation [C5H11ClN2-H]+, Rule of HR True"
+137.07089	23555546	"Theoretical m/z 137.070942, Mass diff 0 (0.38 ppm), SMILES O=CC1=CC(=NN1C)CC, Annotation [C7H10N2O-H]+, Rule of HR True"
+137.54066	8103763
+138.0742	3011482
+138.5392	2579362
+143.03706	4181064	"Theoretical m/z 143.037052, Mass diff 0 (0.06 ppm), SMILES N1=C(C(=CN1C)Cl)CC, Annotation [C6H9ClN2-H]+, Rule of HR True"
+144.04482	2473391	"Theoretical m/z 144.044877, Mass diff 0 (0.39 ppm), SMILES N1=C(C(=CN1C)Cl)CC, Annotation [C6H9ClN2]+, Rule of HR False"
+144.54854	4239772
+145.05261	47529640	"Theoretical m/z 145.052702, Mass diff 0 (0.63 ppm), SMILES N1=C(C(=CN1C)Cl)CC, Annotation [C6H9ClN2+H]+, Rule of HR True"
+145.547	2614779
+146.0511	4441021	"Theoretical m/z 146.0485, Mass diff -0.003 (0 ppm), Formula C5H9ClN3"
+146.09631	15292979	"Theoretical m/z 146.096429, Mass diff 0 (0.82 ppm), SMILES NCC1=CC=C(C=C1)C(C)C, Annotation [C10H15N-3H]+, Rule of HR True"
+146.54582	2953878
+147.04968	18922556
+147.11673	12873837	"Theoretical m/z 147.116825, Mass diff 0 (0.64 ppm), SMILES C=1C=C(C=CC=1C)C(C)(C)C, Annotation [C11H16-H]+, Rule of HR True"
+148.05313	1843369
+154.01645	1839312	"Theoretical m/z 154.0172, Mass diff 0 (0 ppm), Formula C6H5ClN3"
+156.00835	2526016
+157.01627	5371576	"Theoretical m/z 157.016315, Mass diff 0 (0.29 ppm), SMILES O=CC=1NN=C(C=1Cl)CC, Annotation [C6H7ClN2O-H]+, Rule of HR True"
+162.12766	8924288	"Theoretical m/z 162.12772, Mass diff 0 (0.37 ppm), SMILES NCC1=CC=C(C=C1)C(C)(C)C, Annotation [C11H17N-H]+, Rule of HR True"
+171.03189	174450112	"Theoretical m/z 171.031971, Mass diff 0 (0.47 ppm), SMILES O=CC1=C(C(=NN1C)CC)Cl, Annotation [C7H9ClN2O-H]+, Rule of HR True"
+172.03517	15673886
+173.02895	56183212
+174.03224	5110298
+186.04279	1936422	"Theoretical m/z 186.042865, Mass diff 0 (0.41 ppm), SMILES O=C(N)C1=C(C(=NN1C)CC)Cl, Annotation [C7H10ClN3O-H]+, Rule of HR True"
+233.08395	10794300	"Theoretical m/z 233.084551, Mass diff 0 (0 ppm), Formula C13H14ClN2"
+235.08106	3647113
+276.08981	98093144	"Theoretical m/z 276.089801, Mass diff 0 (0.03 ppm), SMILES O=C(NCC1=CC=CC=C1)C2=C(C(=NN2C)CC)Cl, Annotation [C14H16ClN3O-H]+, Rule of HR True"
+277.09296	13057832
+278.08682	30611084
+279.08997	4089308
+282.15985	2340008	"Theoretical m/z 282.160089, Mass diff 0 (0.85 ppm), SMILES O=C(NCC1=CC=C(C=C1)C(C)(C)C)C2=CC(=NN2)CC, Annotation [C17H23N3O-3H]+, Rule of HR True"
+298.19141	13136337	"Theoretical m/z 298.191394, Mass diff 0 (0.05 ppm), SMILES O=C(NCC1=CC=C(C=C1)C(C)(C)C)C2=CC(=NN2C)CC, Annotation [C18H25N3O-H]+, Rule of HR True"
+299.19492	2479793
+318.13675	141960256	"Theoretical m/z 318.136768, Mass diff 0 (0.06 ppm), SMILES O=C(NCC1=CC=C(C=C1)C(C)(C)C)C=2NN=C(C=2Cl)CC, Annotation [C17H22ClN3O-H]+, Rule of HR True"
+319.14026	25396170
+320.13373	47133412
+321.13733	8027026
+332.15216	2121202	"Theoretical m/z 332.152965, Mass diff 0 (0 ppm), Formula C18H23ClN3O"
+333.16003	83549104	"Theoretical m/z 333.160249, Mass diff 0 (0.66 ppm), SMILES O=C(NCC1=CC=C(C=C1)C(C)(C)C)C2=C(C(=NN2C)CC)Cl, Annotation [C18H24ClN3O]+, Rule of HR False"
+334.16354	16365051
+335.15695	26029278
+336.1604	4816209
+
+NAME: Fludioxonil
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2240.8
+PRECURSORMZ: 248.039
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H6F2N2O2
+INCHIKEY: MUJOIMFVNIBMKC-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 24
+74.01506	2560404	"Theoretical m/z 74.015103, Mass diff 0 (0.58 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02291	2499592	"Theoretical m/z 75.022928, Mass diff 0 (0.23 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-3H]+, Rule of HR True"
+76.03072	1932115	"Theoretical m/z 76.030753, Mass diff 0 (0.43 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-2H]+, Rule of HR False"
+77.02596	2872929	"Theoretical m/z 77.025997, Mass diff 0 (0.48 ppm), SMILES C1=CC(=CN1)C, Annotation [C5H7N-4H]+, Rule of HR False"
+91.05421	1502435	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+98.01508	1461822
+99.02288	5892805	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+100.03066	7558721
+101.02599	4236434
+103.0416	1597933	"Theoretical m/z 103.042199, Mass diff 0 (0 ppm), Formula C7H5N"
+126.03379	3614468	"Theoretical m/z 126.034374, Mass diff 0 (0 ppm), Formula C9H4N"
+127.04155	53577140	"Theoretical m/z 127.042199, Mass diff 0 (0 ppm), Formula C9H5N"
+128.04486	8547145
+153.04465	17119120	"Theoretical m/z 153.045273, Mass diff 0 (0 ppm), Formula C10H5N2"
+154.05235	38278996
+155.05572	4050292
+172.06296	1580267
+181.03955	2256112	"Theoretical m/z 181.039636, Mass diff 0 (0.47 ppm), SMILES N#CC1=CNC=C1C=2C=CC=CC=2(O), Annotation [C11H8N2O-3H]+, Rule of HR True"
+182.04744	29946102
+183.05075	3657360
+228.03278	2432179
+247.0314	1796512	"Theoretical m/z 247.031909, Mass diff 0 (0 ppm), Formula C12H5F2N2O2"
+248.03903	137873440	"Theoretical m/z 248.039185, Mass diff 0 (0.63 ppm), SMILES N#CC1=CNC=C1C=3C=CC=C2OC(F)(F)OC2=3, Annotation [C12H6F2N2O2]+, Rule of HR False"
+249.0423	18584974
+
+NAME: Terbumeton
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1721
+PRECURSORMZ: 225.15813
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H19N5O
+INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCNC1=NC(=NC(=N1)OC)NC(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 49
+68.02425	3241046	"Theoretical m/z 68.024322, Mass diff 0 (1.05 ppm), SMILES N=C(N)NC, Annotation [C2H7N3-5H]+, Rule of HR True"
+69.00823	3203208	"Theoretical m/z 69.008888, Mass diff 0 (0 ppm), Formula C2HN2O"
+69.06978	3909390	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+70.07763	1072539	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.06027	1689189	"Theoretical m/z 71.060375, Mass diff 0 (1.48 ppm), SMILES N=CNCC, Annotation [C3H8N2-H]+, Rule of HR True"
+71.08543	2489219	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+82.03989	1400733	"Theoretical m/z 82.040522, Mass diff 0 (0 ppm), Formula C3H4N3"
+83.06025	5056684	"Theoretical m/z 83.060373, Mass diff 0 (1.48 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-3H]+, Rule of HR True"
+84.04431	3992539	"Theoretical m/z 84.044939, Mass diff 0 (0 ppm), Formula C4H6NO"
+85.07592	3659791	"Theoretical m/z 85.076023, Mass diff 0 (1.21 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-H]+, Rule of HR True"
+85.10107	4592372	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.03476	1565340	"Theoretical m/z 86.035437, Mass diff 0 (0 ppm), Formula C2H4N3O"
+94.00348	864633	"Theoretical m/z 94.004137, Mass diff 0 (0 ppm), Formula C3N3O"
+96.05549	3999113	"Theoretical m/z 96.05562, Mass diff 0 (1.35 ppm), SMILES N=CN=CNCC, Annotation [C4H9N3-3H]+, Rule of HR True"
+97.07593	2157009	"Theoretical m/z 97.076021, Mass diff 0 (0.93 ppm), SMILES N=CNC(C)(C)C, Annotation [C5H12N2-3H]+, Rule of HR True"
+97.1011	2550219	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+97.55536	4262068
+98.03468	2477155	"Theoretical m/z 98.03489, Mass diff 0 (2.15 ppm), SMILES N=C(N=COC)N, Annotation [C3H7N3O-3H]+, Rule of HR True"
+100.05038	5870352	"Theoretical m/z 100.050541, Mass diff 0 (1.6 ppm), SMILES N=C(N=COC)N, Annotation [C3H7N3O-H]+, Rule of HR True"
+111.05381	10995317	"Theoretical m/z 111.055838, Mass diff 0.001 (0 ppm), Formula C5H7N2O"
+112.05038	6452725	"Theoretical m/z 112.050535, Mass diff 0 (1.38 ppm), SMILES N=1C=NC(=NC=1)OC, Annotation [C4H5N3O+H]+, Rule of HR True"
+115.08643	2005076	"Theoretical m/z 115.086589, Mass diff 0 (1.39 ppm), SMILES N(=COC)CNCC, Annotation [C5H12N2O-H]+, Rule of HR True"
+125.04565	1571803	"Theoretical m/z 125.045787, Mass diff 0 (1.1 ppm), SMILES N1=CN=C(N=C1OC)N, Annotation [C4H6N4O-H]+, Rule of HR True"
+126.05344	3163076
+126.06599	13275853	"Theoretical m/z 126.066186, Mass diff 0 (1.56 ppm), SMILES N=C(N=COC)NCC, Annotation [C5H11N3O-3H]+, Rule of HR True"
+127.06927	1662572
+128.08162	3016184	"Theoretical m/z 128.081836, Mass diff 0 (1.69 ppm), SMILES N=C(N=COC)NCC, Annotation [C5H11N3O-H]+, Rule of HR True"
+136.08676	3432391	"Theoretical m/z 136.088815, Mass diff 0.002 (0 ppm), Formula C9H12O"
+138.07719	985622	"Theoretical m/z 138.077427, Mass diff 0 (1.71 ppm), SMILES N=1C=NC(=NC=1N)NCC, Annotation [C5H9N5-H]+, Rule of HR True"
+139.08504	2703774	"Theoretical m/z 139.085252, Mass diff 0 (1.52 ppm), SMILES N=1C=NC(=NC=1N)NCC, Annotation [C5H9N5]+, Rule of HR False"
+140.05649	5166549	"Theoretical m/z 140.05669, Mass diff 0 (1.43 ppm), SMILES N=1C(=NC(=NC=1N)N)OC, Annotation [C4H7N5O-H]+, Rule of HR True"
+141.06429	13562389
+142.07219	1312876	"Theoretical m/z 142.07234, Mass diff 0 (1.06 ppm), SMILES N=1C(=NC(=NC=1N)N)OC, Annotation [C4H7N5O+H]+, Rule of HR True"
+153.07689	2262792	"Theoretical m/z 153.077091, Mass diff 0 (1.31 ppm), SMILES N1=CN=C(N=C1OC)NCC, Annotation [C6H10N4O-H]+, Rule of HR True"
+154.07208	45041368	"Theoretical m/z 154.07233, Mass diff 0 (1.62 ppm), SMILES N=1C(=NC(=NC=1N)NC)OC, Annotation [C5H9N5O-H]+, Rule of HR True"
+155.07546	3578896
+167.09265	1983993	"Theoretical m/z 167.092731, Mass diff 0 (0.49 ppm), SMILES N=1C=NC(=NC=1OC)NC(C)C, Annotation [C7H12N4O-H]+, Rule of HR True"
+168.08786	16019429	"Theoretical m/z 168.087986, Mass diff 0 (0.75 ppm), SMILES N=1C(=NC(=NC=1N)NCC)OC, Annotation [C6H11N5O-H]+, Rule of HR True"
+169.09558	80798384
+170.09889	9169392
+178.10844	885857	"Theoretical m/z 178.108713, Mass diff 0 (1.53 ppm), SMILES N1=CN=C(N=C1NC)NC(C)(C)C, Annotation [C8H15N5-3H]+, Rule of HR True"
+182.1035	1734943	"Theoretical m/z 182.103641, Mass diff 0 (0.78 ppm), SMILES N1=C(N=C(N=C1N)NC(C)C)OC, Annotation [C7H13N5O-H]+, Rule of HR True"
+183.11128	841088
+193.1082	2034351	"Theoretical m/z 193.108936, Mass diff 0 (0 ppm), Formula C9H13N4O"
+194.1035	1309275	"Theoretical m/z 194.103631, Mass diff 0 (0.68 ppm), SMILES N1=C(N=C(N=C1NC)NC(C)C)OC, Annotation [C8H15N5O-3H]+, Rule of HR True"
+208.1191	2368034	"Theoretical m/z 208.119835, Mass diff 0 (0 ppm), Formula C9H14N5O"
+210.13466	83269656	"Theoretical m/z 210.134937, Mass diff 0 (1.32 ppm), SMILES N1=C(N=C(N=C1NC)NC(C)(C)C)OC, Annotation [C9H17N5O-H]+, Rule of HR True"
+211.13805	9524882
+225.15813	7356352	"Theoretical m/z 225.158417, Mass diff 0 (1.28 ppm), SMILES N1=C(N=C(N=C1NCC)NC(C)(C)C)OC, Annotation [C10H19N5O]+, Rule of HR False"
+
+NAME: Rotenone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3213.7
+PRECURSORMZ: 394.1413
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C23H22O6
+INCHIKEY: JUVIOZPCNVVQFO-HBGVWJBISA-N
+INCHI: 
+SMILES: CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 75
+77.03855	333858	"Theoretical m/z 77.038578, Mass diff 0 (0.36 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+80.06201	174363	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+81.06986	689261	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+91.0542	248058	"Theoretical m/z 91.054226, Mass diff 0 (0.28 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+93.06988	428032	"Theoretical m/z 93.069876, Mass diff 0 (0.05 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+94.0777	521220	"Theoretical m/z 94.07825, Mass diff 0 (0 ppm), Formula C7H10"
+95.08548	2166568	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.10114	635685	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+98.10448	225622
+102.04626	138233	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05417	446411	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06198	159439	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06984	240809	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07767	250151	"Theoretical m/z 106.07825, Mass diff 0 (0 ppm), Formula C8H10"
+107.08549	394453	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+109.10116	430757	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+110.10895	398608
+112.12008	208757
+113.13238	356689	"Theoretical m/z 113.133026, Mass diff 0 (0 ppm), Formula C8H17"
+115.05415	232492	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+121.1011	760739	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+123.11671	484163	"Theoretical m/z 123.117375, Mass diff 0 (0 ppm), Formula C9H15"
+126.13575	211181
+129.06972	135363	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.08545	516042	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+133.10109	244375	"Theoretical m/z 133.101725, Mass diff 0 (0 ppm), Formula C10H13"
+134.03607	163965	"Theoretical m/z 134.036231, Mass diff 0 (1.2 ppm), SMILES OC1=CC=CC=2OCCC1=2, Annotation [C8H8O2-2H]+, Rule of HR False"
+135.11671	153371	"Theoretical m/z 135.116821, Mass diff 0 (-0.82 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+136.12456	468881
+137.1324	185111	"Theoretical m/z 137.133026, Mass diff 0 (0 ppm), Formula C10H17"
+138.1402	500997
+147.06545	575314	"Theoretical m/z 147.065734, Mass diff 0 (0 ppm), Formula C6H11O4"
+147.11674	486678	"Theoretical m/z 147.116819, Mass diff 0 (0.54 ppm), SMILES C=C(C)CCC=1C=CC=CC=1, Annotation [C11H14+H]+, Rule of HR True"
+149.05959	557450	"Theoretical m/z 149.059706, Mass diff 0 (0.78 ppm), SMILES O=CC=1C=CC=2OCCC=2(C=1), Annotation [C9H8O2+H]+, Rule of HR True"
+149.13243	1054182	"Theoretical m/z 149.133026, Mass diff 0 (0 ppm), Formula C11H17"
+151.14806	319378	"Theoretical m/z 151.148676, Mass diff 0 (0 ppm), Formula C11H19"
+161.05957	402959	"Theoretical m/z 161.059711, Mass diff 0 (0.88 ppm), SMILES OC1=CC=CC=2OC(C=C)CC1=2, Annotation [C10H10O2-H]+, Rule of HR True"
+161.1324	333876	"Theoretical m/z 161.133026, Mass diff 0 (0 ppm), Formula C12H17"
+163.14803	135078	"Theoretical m/z 163.148676, Mass diff 0 (0 ppm), Formula C12H19"
+169.10126	135197	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+173.13254	136599	"Theoretical m/z 173.133026, Mass diff 0 (0 ppm), Formula C13H17"
+175.03886	133182	"Theoretical m/z 175.038975, Mass diff 0 (0.66 ppm), SMILES OC1=CC(OC)=C(OC)C=C1CC, Annotation [C10H14O3-7H]+, Rule of HR True"
+175.14809	319855	"Theoretical m/z 175.148676, Mass diff 0 (0 ppm), Formula C13H19"
+176.04684	141719	"Theoretical m/z 176.046801, Mass diff 0 (0.22 ppm), SMILES OC1=CC(OC)=C(OC)C=C1CC, Annotation [C10H14O3-6H]+, Rule of HR False"
+177.05456	2532605	"Theoretical m/z 177.054626, Mass diff 0 (0.37 ppm), SMILES OC1=CC(OC)=C(OC)C=C1CC, Annotation [C10H14O3-5H]+, Rule of HR True"
+179.17934	261839	"Theoretical m/z 179.179976, Mass diff 0 (0 ppm), Formula C13H23"
+181.19492	267817
+184.08824	134300
+191.07013	7441212	"Theoretical m/z 191.070276, Mass diff 0 (0.76 ppm), SMILES O(C=1C=C2OCCCC2(=CC=1(OC)))C, Annotation [C11H14O3-3H]+, Rule of HR True"
+191.17928	492541	"Theoretical m/z 191.179976, Mass diff 0 (0 ppm), Formula C14H23"
+192.07793	12469603
+193.08139	1272201
+207.21068	141538
+208.03099	189864
+209.01137	347181	"Theoretical m/z 209.008613, Mass diff -0.003 (0 ppm), Formula C9H5O6"
+209.22642	201961
+210.23418	133566
+217.1951	134636
+225.04286	219970	"Theoretical m/z 225.039913, Mass diff -0.003 (0 ppm), Formula C10H9O6"
+233.22633	181135
+235.24205	258281
+249.25755	153322
+259.24197	188776
+266.9989	167096
+267.99851	144434
+334.35998	139131
+341.01746	175825
+355.06952	158517
+371.36783	165968
+373.38281	207009
+394.1413	2272460	"Theoretical m/z 394.141084, Mass diff 0 (0.55 ppm), SMILES O=C3C=5C=CC=1OC(C(=C)C)CC=1C=5(OC4COC2=CC(OC)=C(OC)C=C2C34), Annotation [C23H22O6]+, Rule of HR False"
+395.1441	542636
+400.98468	216548
+454.45151	134526
+474.51309	205759
+
+NAME: Enilconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2158.3
+PRECURSORMZ: 296.04837
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H14Cl2N2O
+INCHIKEY: PZBPKYOVPCNPJY-UHFFFAOYSA-N
+INCHI: 
+SMILES: C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 57
+73.02836	73657
+75.0229	161867	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+81.06986	395055	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+89.03851	143930	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05418	138031	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+99.0229	150607	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+99.04401	151683
+101.05967	70822
+102.04635	330642	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+107.04907	84083	"Theoretical m/z 107.049141, Mass diff 0 (-0.66 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.98389	120657	"Theoretical m/z 108.983957, Mass diff 0 (0.61 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.06478	121521	"Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O"
+110.99952	115449	"Theoretical m/z 110.999607, Mass diff 0 (0.78 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+114.0675	83323
+115.05416	243185	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06194	88022	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+121.06469	142820	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+122.99949	107011	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+125.01503	108832	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+125.05963	121195
+129.04456	97108	"Theoretical m/z 129.045273, Mass diff 0 (0 ppm), Formula C8H5N2"
+129.06973	125514	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+135.08028	80772	"Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O"
+136.00735	190434
+137.00261	187307	"Theoretical m/z 137.00274, Mass diff 0 (0 ppm), Formula C10HO"
+137.01515	435766	"Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl"
+138.9996	254822
+139.01216	205093
+140.04935	90315	"Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N"
+149.02325	151483
+158.97618	1442028	"Theoretical m/z 158.976276, Mass diff 0 (0.6 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+159.9796	102208
+160.97324	879113
+161.97655	118529
+162.97024	178419
+168.06816	142765	"Theoretical m/z 168.068748, Mass diff 0 (0 ppm), Formula C11H8N2"
+171.98398	752238
+172.95552	6895678	"Theoretical m/z 172.955545, Mass diff 0 (0.14 ppm), SMILES OCC=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O-3H]+, Rule of HR True"
+173.95883	996626
+173.98106	456146
+174.95252	4388656
+175.95584	550967
+176.02592	214400	"Theoretical m/z 176.026702, Mass diff 0 (0 ppm), Formula C10H7ClN"
+176.94954	729650
+189.00444	83937
+203.0369	512942	"Theoretical m/z 203.037057, Mass diff 0 (0.77 ppm), SMILES N=1C=CN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C11H11ClN2-3H]+, Rule of HR True"
+205.0527	458732	"Theoretical m/z 205.052707, Mass diff 0 (0.04 ppm), SMILES N=1C=CN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C11H11ClN2-H]+, Rule of HR True"
+207.04964	87725
+215.00235	3063703	"Theoretical m/z 215.002491, Mass diff 0 (0.65 ppm), SMILES O(CC=C)CC=1C=CC(=CC=1Cl)Cl, Annotation [C10H10Cl2O-H]+, Rule of HR True"
+216.0058	271659
+216.9995	2029979
+218.00275	209716
+218.99651	393925
+225.09052	149396
+240.02145	234586	"Theoretical m/z 240.021561, Mass diff 0 (0.46 ppm), SMILES N=1C=CN(C=1)CCC=2C=CC(=CC=2Cl)Cl, Annotation [C11H10Cl2N2]+, Rule of HR False"
+242.01862	119773	"Theoretical m/z 242.013944, Mass diff -0.005 (0 ppm), Formula C11H10Cl2NO"
+261.07886	181976	"Theoretical m/z 261.078907, Mass diff 0 (0.18 ppm), SMILES N=1C=CN(C=1)CC(OCC=C)C=2C=CC=CC=2Cl, Annotation [C14H15ClN2O-H]+, Rule of HR True"
+
+
+NAME: Acibenzolar-S-methyl
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1900.6
+PRECURSORMZ: 189.06958
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H6N2OS2
+INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
+INCHI: 
+SMILES: CSC(=O)C1=C2C(=CC=C1)N=NS2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 35
+68.97928	1441748	"Theoretical m/z 68.979896, Mass diff 0 (0 ppm), Formula C3HS"
+75.0229	643516	"Theoretical m/z 75.022928, Mass diff 0 (0.37 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03851	468733	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+80.97931	3020607	"Theoretical m/z 80.979896, Mass diff 0 (0 ppm), Formula C4HS"
+81.98711	777270
+92.97931	665013	"Theoretical m/z 92.979896, Mass diff 0 (0 ppm), Formula C5HS"
+94.99492	3446460	"Theoretical m/z 94.995546, Mass diff 0 (0 ppm), Formula C5H3S"
+104.97932	519192	"Theoretical m/z 104.979346, Mass diff 0 (0.25 ppm), SMILES C=1C=CC(=CC=1)S, Annotation [C6H6S-5H]+, Rule of HR True"
+105.98711	770082
+106.9949	11428787	"Theoretical m/z 106.994996, Mass diff 0 (0.9 ppm), SMILES C=1C=CC(=CC=1)S, Annotation [C6H6S-3H]+, Rule of HR True"
+108.00269	4021920
+108.99075	855865
+109.10111	489586
+110.01839	451700
+121.01053	1777947	"Theoretical m/z 121.011196, Mass diff 0 (0 ppm), Formula C7H5S"
+134.98975	13126589	"Theoretical m/z 134.989908, Mass diff 0 (1.17 ppm), SMILES O=C(C1=CC=CC=C1)S, Annotation [C7H6OS-3H]+, Rule of HR True"
+135.9976	7709681
+136.98555	1188804
+137.99333	451583
+138.9669	7238242	"Theoretical m/z 138.967617, Mass diff 0 (0 ppm), Formula C6H3S2"
+139.97026	432759
+140.96266	636458
+147.08026	869596
+149.00546	1296694	"Theoretical m/z 149.005563, Mass diff 0 (0.69 ppm), SMILES O=C(C1=CC=CC=C1)SC, Annotation [C8H8OS-3H]+, Rule of HR True"
+152.98254	11104459	"Theoretical m/z 152.983267, Mass diff 0 (0 ppm), Formula C7H5S2"
+153.99037	2129880
+154.97833	1067059
+166.96188	7186869	"Theoretical m/z 166.961984, Mass diff 0 (0.62 ppm), SMILES O=C(C=1C=CC=CC=1S)S, Annotation [C7H6OS2-3H]+, Rule of HR True"
+167.96518	649601
+168.95763	673209
+180.97748	35170308	"Theoretical m/z 180.97764, Mass diff 0 (0.88 ppm), SMILES O=C(C=1C=CC=CC=1S)SC, Annotation [C8H8OS2-3H]+, Rule of HR True"
+181.98511	18940586
+182.97327	4613394
+183.98112	1579728
+189.06958	567394
+
+NAME: Bupirimate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2206.2
+PRECURSORMZ: 316.15631
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H24N4O3S
+INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 60
+68.02428	391335	"Theoretical m/z 68.024322, Mass diff 0 (0.61 ppm), SMILES N=C(N)NC, Annotation [C2H7N3-5H]+, Rule of HR True"
+69.06982	665611	"Theoretical m/z 69.069879, Mass diff 0 (0.85 ppm), SMILES CCCCC, Annotation [C5H12-3H]+, Rule of HR True"
+71.08547	698228	"Theoretical m/z 71.085529, Mass diff 0 (0.83 ppm), SMILES CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+80.04942	477725	"Theoretical m/z 80.049476, Mass diff 0 (0.7 ppm), SMILES NC(=CCC)C, Annotation [C5H11N-5H]+, Rule of HR True"
+81.04468	1185533	"Theoretical m/z 81.044723, Mass diff 0 (0.53 ppm), SMILES N(=CNC)CC, Annotation [C4H10N2-5H]+, Rule of HR True"
+82.06505	804018	"Theoretical m/z 82.065125, Mass diff 0 (-0.91 ppm), SMILES C[N+]1=CC=CC1, Annotation [C5H8N]+, Rule of HR True"
+92.062	596825	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06986	568595	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+96.04433	5990234	"Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO"
+108.01128	4199418	"Theoretical m/z 108.011379, Mass diff 0 (0.92 ppm), SMILES O=S(=O)N(C)C, Annotation [C2H7NO2S-H]+, Rule of HR True"
+109.076	5564672	"Theoretical m/z 109.076021, Mass diff 0 (0.19 ppm), SMILES N(=CNCC)C(=C)C, Annotation [C6H12N2-3H]+, Rule of HR True"
+110.07116	1559772	"Theoretical m/z 110.071822, Mass diff 0 (0 ppm), Formula C5H8N3"
+120.05544	566286	"Theoretical m/z 120.057515, Mass diff 0.002 (0 ppm), Formula C8H8O"
+121.07592	609928	"Theoretical m/z 121.076026, Mass diff 0 (0.88 ppm), SMILES N(=CNCC)C(=CC)C, Annotation [C7H14N2-5H]+, Rule of HR True"
+122.07112	1603551	"Theoretical m/z 122.071273, Mass diff 0 (1.25 ppm), SMILES N(=C)C(=NCC)NCC, Annotation [C6H13N3-5H]+, Rule of HR True"
+123.09154	2136675	"Theoretical m/z 123.091676, Mass diff 0 (1.11 ppm), SMILES N(=CNCC)C(=CC)C, Annotation [C7H14N2-3H]+, Rule of HR True"
+125.06948	843331	"Theoretical m/z 125.071488, Mass diff 0.001 (0 ppm), Formula C6H9N2O"
+136.08684	673610	"Theoretical m/z 136.086918, Mass diff 0 (0.57 ppm), SMILES N1=CC=C(N=C1NCC)C, Annotation [C7H11N3-H]+, Rule of HR True"
+137.08202	728046
+138.10248	7999061	"Theoretical m/z 138.102568, Mass diff 0 (0.63 ppm), SMILES N1=CC=C(N=C1NCC)C, Annotation [C7H11N3+H]+, Rule of HR True"
+139.07387	1734446	"Theoretical m/z 139.074017, Mass diff 0 (1.06 ppm), SMILES OC=NC(=NCC)NCC, Annotation [C6H13N3O-4H]+, Rule of HR False"
+139.10579	730236
+140.10689	1115850	"Theoretical m/z 140.106983, Mass diff 0 (0.66 ppm), SMILES N=C(O)C(=CC)CCCC, Annotation [C8H15NO-H]+, Rule of HR True"
+141.0228	450097	"Theoretical m/z 141.023492, Mass diff 0 (0 ppm), Formula C4H5N4S"
+142.04329	723655	"Theoretical m/z 142.043893, Mass diff 0 (0 ppm), Formula C5H8N3S"
+148.08672	703084	"Theoretical m/z 148.086923, Mass diff 0 (1.37 ppm), SMILES N1=CC(=C(N=C1NCC)C)C, Annotation [C8H13N3-3H]+, Rule of HR True"
+149.07094	476097	"Theoretical m/z 149.071488, Mass diff 0 (0 ppm), Formula C8H9N2O"
+150.10251	8626553	"Theoretical m/z 150.102573, Mass diff 0 (0.42 ppm), SMILES N1=CC(=C(N=C1NCC)C)C, Annotation [C8H13N3-H]+, Rule of HR True"
+151.07399	729890
+151.1058	1906761
+152.08171	1150026	"Theoretical m/z 152.081836, Mass diff 0 (0.83 ppm), SMILES OC1=NC(=NC(=C1)C)NCC, Annotation [C7H11N3O-H]+, Rule of HR True"
+153.02283	407374	"Theoretical m/z 153.023492, Mass diff 0 (0 ppm), Formula C5H5N4S"
+164.08185	5859460	"Theoretical m/z 164.081842, Mass diff 0 (0.05 ppm), SMILES OC1=NC(=NC(=C1C)C)NCC, Annotation [C8H13N3O-3H]+, Rule of HR True"
+165.10226	5415672	"Theoretical m/z 165.102237, Mass diff 0 (0.14 ppm), SMILES OC1=NC=NC(=C1CCCC)C, Annotation [C9H14N2O-H]+, Rule of HR True"
+166.09743	16583645	"Theoretical m/z 166.097492, Mass diff 0 (0.37 ppm), SMILES OC1=NC(=NC(=C1C)C)NCC, Annotation [C8H13N3O-H]+, Rule of HR True"
+167.10075	2375227
+178.09741	1842205	"Theoretical m/z 178.097482, Mass diff 0 (0.4 ppm), SMILES OC1=NC(=NC(=C1CCCC)C)N, Annotation [C9H15N3O-3H]+, Rule of HR True"
+180.11302	1389729	"Theoretical m/z 180.113132, Mass diff 0 (0.62 ppm), SMILES OC1=NC(=NC(=C1CCCC)C)N, Annotation [C9H15N3O-H]+, Rule of HR True"
+184.06511	444855
+192.11308	1191332	"Theoretical m/z 192.113138, Mass diff 0 (0.3 ppm), SMILES OC1=NC(=NC(=C1CCCC)C)NC, Annotation [C10H17N3O-3H]+, Rule of HR True"
+192.14941	4699605	"Theoretical m/z 192.149524, Mass diff 0 (0.6 ppm), SMILES N1=CC(=C(N=C1NCC)C)CCCC, Annotation [C11H19N3-H]+, Rule of HR True"
+193.14471	28397720	"Theoretical m/z 193.145322, Mass diff 0 (0 ppm), Formula C10H17N4"
+194.148	4174560
+203.04837	1124663	"Theoretical m/z 203.048486, Mass diff 0 (0.57 ppm), SMILES O=S(=O)(OC(=N)C(=CC)C)N(C)C, Annotation [C7H14N2O3S-3H]+, Rule of HR True"
+206.12869	619707	"Theoretical m/z 206.129337, Mass diff 0 (0 ppm), Formula C11H16N3O"
+208.14435	38982920	"Theoretical m/z 208.144443, Mass diff 0 (0.45 ppm), SMILES OC1=NC(=NC(=C1CCCC)C)NCC, Annotation [C11H19N3O-H]+, Rule of HR True"
+209.14763	5889499
+210.15059	421282
+212.0963	996508
+213.10425	687338	"Theoretical m/z 213.102788, Mass diff -0.002 (0 ppm), Formula C13H13N2O"
+224.09631	707638
+228.04352	1122132	"Theoretical m/z 228.043741, Mass diff 0 (0.97 ppm), SMILES O=S(=O)(OC1=NC=NC(=C1C)C)N(C)C, Annotation [C8H13N3O3S-3H]+, Rule of HR True"
+230.05931	4356083	"Theoretical m/z 230.059391, Mass diff 0 (0.35 ppm), SMILES O=S(=O)(OC1=NC=NC(=C1C)C)N(C)C, Annotation [C8H13N3O3S-H]+, Rule of HR True"
+273.10129	27072556	"Theoretical m/z 273.101581, Mass diff 0 (1.07 ppm), SMILES O=S(=O)(OC1=NC(=NC(=C1CCCC)C)N)NC, Annotation [C10H18N4O3S-H]+, Rule of HR True"
+274.10495	2763493
+275.09714	1297058
+301.13257	1464476	"Theoretical m/z 301.132892, Mass diff 0 (1.07 ppm), SMILES O=S(=O)(OC1=NC(=NC(=C1CCCC)C)NCC)NC, Annotation [C12H22N4O3S-H]+, Rule of HR True"
+316.15631	8799023	"Theoretical m/z 316.156373, Mass diff 0 (0.2 ppm), SMILES O=S(=O)(OC1=NC(=NC(=C1CCCC)C)NCC)N(C)C, Annotation [C13H24N4O3S]+, Rule of HR False"
+317.15994	1180201
+318.15164	455789
+
+NAME: Buprofezin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2197.8
+PRECURSORMZ: 305.15527
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H23N3OS
+INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 82
+69.00826	1355196	"Theoretical m/z 69.008888, Mass diff 0 (0 ppm), Formula C2HN2O"
+69.06979	1294869	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+70.07765	655866	"Theoretical m/z 70.07825, Mass diff 0 (0 ppm), Formula C5H10"
+71.99017	650607	"Theoretical m/z 71.990243, Mass diff 0 (1.02 ppm), SMILES N=CSC, Annotation [C2H5NS-3H]+, Rule of HR True"
+72.08067	485708	"Theoretical m/z 72.080772, Mass diff 0 (-1.42 ppm), SMILES CC=[N+](C)C, Annotation [C4H10N]+, Rule of HR True"
+75.01368	3842790
+77.03848	10972081	"Theoretical m/z 77.038578, Mass diff 0 (1.27 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04633	1617477	"Theoretical m/z 78.046403, Mass diff 0 (0.93 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05415	1252347	"Theoretical m/z 79.054228, Mass diff 0 (0.98 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+83.06027	19009264	"Theoretical m/z 83.060373, Mass diff 0 (1.24 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-3H]+, Rule of HR True"
+84.04433	7308419	"Theoretical m/z 84.044389, Mass diff 0 (0.7 ppm), SMILES O=CNC(C)C, Annotation [C4H9NO-3H]+, Rule of HR True"
+85.07594	857691	"Theoretical m/z 85.076023, Mass diff 0 (0.97 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-H]+, Rule of HR True"
+85.10109	863083	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+85.96941	2057480	"Theoretical m/z 85.969512, Mass diff 0 (1.19 ppm), SMILES O=CNCS, Annotation [C2H5NOS-5H]+, Rule of HR True"
+87.00107	815754	"Theoretical m/z 87.001694, Mass diff 0 (0 ppm), Formula C2H3N2S"
+89.02927	647408
+91.05416	4251626	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.062	717069	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.05724	1367939	"Theoretical m/z 93.057297, Mass diff 0 (0.62 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N]+, Rule of HR False"
+94.06505	868213	"Theoretical m/z 94.065123, Mass diff 0 (0.77 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N+H]+, Rule of HR True"
+95.08544	439542	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.07595	1327317	"Theoretical m/z 97.076021, Mass diff 0 (0.73 ppm), SMILES N(=CN)C(C)(C)C, Annotation [C5H12N2-3H]+, Rule of HR True"
+98.0838	658472
+98.09634	1650335	"Theoretical m/z 98.096428, Mass diff 0 (-0.9 ppm), SMILES C[N+]1=CCCCC1, Annotation [C6H12N]+, Rule of HR True"
+100.02142	13444122	"Theoretical m/z 100.021547, Mass diff 0 (1.27 ppm), SMILES N(=CS)C(C)C, Annotation [C4H9NS-3H]+, Rule of HR True"
+101.02482	798038
+101.98814	2186888
+102.01726	680412
+102.99598	1982333	"Theoretical m/z 102.996609, Mass diff 0 (0 ppm), Formula C2H3N2OS"
+104.04937	21201032	"Theoretical m/z 104.049478, Mass diff 0 (1.04 ppm), SMILES C1=CC=C(C=C1)NC, Annotation [C7H9N-3H]+, Rule of HR True"
+105.0572	38263748	"Theoretical m/z 105.057303, Mass diff 0 (0.98 ppm), SMILES C1=CC=C(C=C1)NC, Annotation [C7H9N-2H]+, Rule of HR False"
+106.06498	27043344	"Theoretical m/z 106.065128, Mass diff 0 (1.4 ppm), SMILES C1=CC=C(C=C1)NC, Annotation [C7H9N-H]+, Rule of HR True"
+107.07278	4008059	"Theoretical m/z 107.072953, Mass diff 0 (1.62 ppm), SMILES C1=CC=C(C=C1)NC, Annotation [C7H9N]+, Rule of HR False"
+109.01055	645728	"Theoretical m/z 109.011196, Mass diff 0 (0 ppm), Formula C6H5S"
+111.05518	618006	"Theoretical m/z 111.055289, Mass diff 0 (0.98 ppm), SMILES O=C(NC)NC(C)C, Annotation [C5H12N2O-5H]+, Rule of HR True"
+114.03712	547805	"Theoretical m/z 114.037195, Mass diff 0 (0.65 ppm), SMILES N(=CS)C(C)(C)C, Annotation [C5H11NS-3H]+, Rule of HR True"
+115.03233	12451006	"Theoretical m/z 115.032441, Mass diff 0 (0.97 ppm), SMILES N=C(NC(C)C)S, Annotation [C4H10N2S-3H]+, Rule of HR True"
+116.0527	6254160	"Theoretical m/z 116.052845, Mass diff 0 (1.25 ppm), SMILES N(=CS)C(C)(C)C, Annotation [C5H11NS-H]+, Rule of HR True"
+117.06972	882516	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.05237	1127110	"Theoretical m/z 118.053098, Mass diff 0 (0 ppm), Formula C7H6N2"
+119.03644	13264936
+120.03978	1249149
+125.1072	3025172	"Theoretical m/z 125.107324, Mass diff 0 (0.99 ppm), SMILES N(=CNCC)C(C)(C)C, Annotation [C7H16N2-3H]+, Rule of HR True"
+129.06966	952640	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07754	468043
+131.07619	8989051
+132.08072	2154241
+133.08839	1222442	"Theoretical m/z 133.089149, Mass diff 0 (0 ppm), Formula C9H11N"
+136.02141	1549116	"Theoretical m/z 136.021539, Mass diff 0 (0.95 ppm), SMILES C1=CC=C(C=C1)NCS, Annotation [C7H9NS-3H]+, Rule of HR True"
+138.037	425733	"Theoretical m/z 138.037189, Mass diff 0 (1.37 ppm), SMILES C1=CC=C(C=C1)NCS, Annotation [C7H9NS-H]+, Rule of HR True"
+139.12282	2748517	"Theoretical m/z 139.122979, Mass diff 0 (1.15 ppm), SMILES N(=CNC(C)C)C(C)(C)C, Annotation [C8H18N2-3H]+, Rule of HR True"
+140.1306	4615958
+157.07927	6574844	"Theoretical m/z 157.0794, Mass diff 0 (0.83 ppm), SMILES N(=C(NCC)S)C(C)(C)C, Annotation [C7H16N2S-3H]+, Rule of HR True"
+158.05064	1341797
+160.05037	1083310	"Theoretical m/z 160.051087, Mass diff 0 (0 ppm), Formula C8H6N3O"
+161.09587	450188	"Theoretical m/z 161.09664, Mass diff 0 (0 ppm), Formula C11H13O"
+171.09488	17857656	"Theoretical m/z 171.095041, Mass diff 0 (0.94 ppm), SMILES N(=C(NC(C)C)S)C(C)(C)C, Annotation [C8H18N2S-3H]+, Rule of HR True"
+172.10262	19588170	"Theoretical m/z 172.102866, Mass diff 0 (1.43 ppm), SMILES N(=C(NC(C)C)S)C(C)(C)C, Annotation [C8H18N2S-2H]+, Rule of HR False"
+173.10608	2442936
+174.06598	559025	"Theoretical m/z 174.066737, Mass diff 0 (0 ppm), Formula C9H8N3O"
+174.09853	1518946
+175.08643	39715440	"Theoretical m/z 175.086587, Mass diff 0 (0.9 ppm), SMILES O=C(NC1=CC=CC=C1)NC(C)C, Annotation [C10H14N2O-3H]+, Rule of HR True"
+176.08974	4391454
+185.11054	3581876	"Theoretical m/z 185.110696, Mass diff 0 (0.84 ppm), SMILES N(=C(NC(C)C)SC)C(C)(C)C, Annotation [C9H20N2S-3H]+, Rule of HR True"
+189.10205	600066	"Theoretical m/z 189.102243, Mass diff 0 (1.02 ppm), SMILES O=C(NC(C)C)N(C1=CC=CC=C1)C, Annotation [C11H16N2O-3H]+, Rule of HR True"
+190.10986	6276612	"Theoretical m/z 190.110068, Mass diff 0 (1.09 ppm), SMILES O=C(NC(C)C)N(C1=CC=CC=C1)C, Annotation [C11H16N2O-2H]+, Rule of HR False"
+191.11319	695721
+192.03493	2503641
+193.04285	3629699	"Theoretical m/z 193.043003, Mass diff 0 (0.79 ppm), SMILES O=CN(C1=CC=CC=C1)CSC=N, Annotation [C9H10N2OS-H]+, Rule of HR True"
+193.10103	797642	"Theoretical m/z 193.101725, Mass diff 0 (0 ppm), Formula C15H13"
+194.04613	411611
+216.11304	1343350	"Theoretical m/z 216.113138, Mass diff 0 (0.45 ppm), SMILES O=C(N(C=N)C(C)C)N(C1=CC=CC=C1)C, Annotation [C12H17N3O-3H]+, Rule of HR True"
+218.12866	690327	"Theoretical m/z 218.128788, Mass diff 0 (0.59 ppm), SMILES O=C(N(C=N)C(C)C)N(C1=CC=CC=C1)C, Annotation [C12H17N3O-H]+, Rule of HR True"
+230.12862	1520914
+248.09746	5890144
+249.10548	10520900	"Theoretical m/z 249.10561, Mass diff 0 (0.52 ppm), SMILES O=CN(C1=CC=CC=C1)CSC=NC(C)(C)C, Annotation [C13H18N2OS-H]+, Rule of HR True"
+250.10876	1654261
+251.10147	500988
+263.10828	914593
+277.16052	1711819
+290.13165	473473	"Theoretical m/z 290.13216, Mass diff 0.001 (1.76 ppm), SMILES O=C2N(C1=CC=CC=C1)CSC(=NC(C)(C)C)N2CC, Annotation [C15H21N3OS-H]+, Rule of HR True"
+305.15527	1771183	"Theoretical m/z 305.15564, Mass diff 0 (1.21 ppm), SMILES O=C2N(C1=CC=CC=C1)CSC(=NC(C)(C)C)N2C(C)C, Annotation [C16H23N3OS]+, Rule of HR False"
+
+NAME: Carboxin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2221
+PRECURSORMZ: 235.06619
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H13NO2S
+INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C(SCCO1)C(=O)NC2=CC=CC=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 20
+77.03858	2239056	"Theoretical m/z 77.038578, Mass diff 0 (0.03 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+86.98994	21825602	"Theoretical m/z 86.989915, Mass diff 0 (0.28 ppm), SMILES OC(=CS)C, Annotation [C3H6OS-3H]+, Rule of HR True"
+87.99775	1982824
+88.98571	1033768
+91.05427	1041453	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.04949	1756900	"Theoretical m/z 92.049472, Mass diff 0 (0.19 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-H]+, Rule of HR True"
+93.05735	2717821	"Theoretical m/z 93.057297, Mass diff 0 (0.56 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N]+, Rule of HR False"
+115.05425	1569090	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+132.04439	4252006	"Theoretical m/z 132.044397, Mass diff 0 (0.05 ppm), SMILES O=C(NC1=CC=CC=C1)C, Annotation [C8H9NO-3H]+, Rule of HR True"
+142.00845	1473116
+143.01614	93770976	"Theoretical m/z 143.016132, Mass diff 0 (0.06 ppm), SMILES O=CC1=C(OCCS1)C, Annotation [C6H8O2S-H]+, Rule of HR True"
+144.01938	6343194
+145.01186	4541606
+175.06284	991771	"Theoretical m/z 175.062781, Mass diff 0 (0.34 ppm), SMILES O=C(C=C(O)C)NC1=CC=CC=C1, Annotation [C10H11NO2-2H]+, Rule of HR False"
+190.00829	1004105
+218.03969	13584838
+219.04314	1551567
+235.06619	40728060	"Theoretical m/z 235.066148, Mass diff 0 (0.18 ppm), SMILES O=C(NC1=CC=CC=C1)C2=C(OCCS2)C, Annotation [C12H13NO2S]+, Rule of HR False"
+236.06963	5109536
+237.0619	2110238
+
+NAME: Ethofumesate
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1954.4
+PRECURSORMZ: 286.08679
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H18O5S
+INCHIKEY: IRCMYGHHKLLGHV-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 51
+71.08549	865761	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+77.03853	5498833	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04637	1365246	"Theoretical m/z 78.046403, Mass diff 0 (0.42 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+78.98478	842250	"Theoretical m/z 78.984829, Mass diff 0 (0.62 ppm), SMILES O=S(=O)C, Annotation [CH4O2S-H]+, Rule of HR True"
+79.05419	8883836	"Theoretical m/z 79.054228, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+80.05753	715402
+81.06986	2676462	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+85.10114	903865	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+89.03854	916264	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.0542	9292769	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05755	869818
+93.06988	864479	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04129	1084918	"Theoretical m/z 94.041313, Mass diff 0 (-0.25 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+95.08549	1106636	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+103.05418	4161526	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06198	700341	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06984	18797736	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07318	1884048
+107.04907	2753994	"Theoretical m/z 107.049141, Mass diff 0 (-0.66 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+109.06477	3306380	"Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O"
+115.05416	9099168	"Theoretical m/z 115.054229, Mass diff 0 (0.6 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-5H]+, Rule of HR True"
+116.05748	1180992
+117.06976	839588	"Theoretical m/z 117.069879, Mass diff 0 (1.02 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+119.04909	2023699	"Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O"
+121.0647	1611190	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+122.07252	2102409	"Theoretical m/z 122.073165, Mass diff 0 (0 ppm), Formula C8H10O"
+123.04393	3274576	"Theoretical m/z 123.044604, Mass diff 0 (0 ppm), Formula C7H7O2"
+131.04909	642230	"Theoretical m/z 131.049148, Mass diff 0 (0.44 ppm), SMILES OC=1C=CC=C(C=1)C(C)C, Annotation [C9H12O-5H]+, Rule of HR True"
+133.0647	24673474	"Theoretical m/z 133.064798, Mass diff 0 (0.73 ppm), SMILES OC=1C=CC=C(C=1)C(C)C, Annotation [C9H12O-3H]+, Rule of HR True"
+134.07248	4586672	"Theoretical m/z 134.072623, Mass diff 0 (1.06 ppm), SMILES OC=1C=CC=C(C=1)C(C)C, Annotation [C9H12O-2H]+, Rule of HR False"
+135.08031	2949821	"Theoretical m/z 135.080448, Mass diff 0 (1.02 ppm), SMILES OC=1C=CC=C(C=1)C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+136.05182	666832	"Theoretical m/z 136.052429, Mass diff 0 (0 ppm), Formula C8H8O2"
+137.05962	36075832	"Theoretical m/z 137.060255, Mass diff 0 (0 ppm), Formula C8H9O2"
+138.06293	3112914
+143.04909	3782752	"Theoretical m/z 143.04969, Mass diff 0 (0 ppm), Formula C10H7O"
+147.04392	2326643	"Theoretical m/z 147.044051, Mass diff 0 (0.89 ppm), SMILES O(C1=CC=CC=C1)COCC, Annotation [C9H12O2-5H]+, Rule of HR True"
+149.05966	1580306	"Theoretical m/z 149.059701, Mass diff 0 (0.28 ppm), SMILES O(C1=CC=CC=C1)COCC, Annotation [C9H12O2-3H]+, Rule of HR True"
+150.06746	1115881	"Theoretical m/z 150.067526, Mass diff 0 (0.44 ppm), SMILES O(C1=CC=CC=C1)COCC, Annotation [C9H12O2-2H]+, Rule of HR False"
+161.0596	63782424	"Theoretical m/z 161.059701, Mass diff 0 (0.63 ppm), SMILES OC=1C=CC=2OCC(C=2(C=1))(C)C, Annotation [C10H12O2-3H]+, Rule of HR True"
+162.06293	8898819
+163.07518	10025008	"Theoretical m/z 163.075351, Mass diff 0 (1.05 ppm), SMILES OC=1C=CC=2OCC(C=2(C=1))(C)C, Annotation [C10H12O2-H]+, Rule of HR True"
+164.07861	1258435
+179.07016	24611972	"Theoretical m/z 179.07027, Mass diff 0 (0.62 ppm), SMILES OC=1C=CC=2OC(O)C(C=2(C=1))(C)C, Annotation [C10H12O3-H]+, Rule of HR True"
+180.07346	2499862
+201.02148	1562419	"Theoretical m/z 201.02161, Mass diff 0 (0.65 ppm), SMILES O=S(=O)(OC1=CC=C(OC)C=C1)C, Annotation [C8H10O4S-H]+, Rule of HR True"
+207.1015	58338612	"Theoretical m/z 207.101566, Mass diff 0 (0.32 ppm), SMILES OC=1C=CC=2OC(OCC)C(C=2(C=1))(C)C, Annotation [C12H16O3-H]+, Rule of HR True"
+208.1048	7812916
+241.05273	3867648	"Theoretical m/z 241.052906, Mass diff 0 (0.73 ppm), SMILES O=S(=O)(OC=1C=CC=2OCC(C=2(C=1))(C)C)C, Annotation [C11H14O4S-H]+, Rule of HR True"
+286.08679	18776166	"Theoretical m/z 286.086945, Mass diff 0 (0.54 ppm), SMILES O=S(=O)(OC=1C=CC=2OC(OCC)C(C=2(C=1))(C)C)C, Annotation [C13H18O5S]+, Rule of HR False"
+287.09027	2537814
+288.0824	1036230
+
+NAME: Fenamidone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2516.1
+PRECURSORMZ: 311.10815
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H17N3OS
+INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
+INCHI: 
+SMILES: CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 48
+69.06982	2282108	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+71.08547	6487670	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+77.03851	17415344	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04636	4880671	"Theoretical m/z 78.046403, Mass diff 0 (0.55 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05417	1316675	"Theoretical m/z 79.054228, Mass diff 0 (0.73 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+85.10111	8420531	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+91.04161	18427032	"Theoretical m/z 91.041647, Mass diff 0 (0.41 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-2H]+, Rule of HR False"
+92.04941	7277821	"Theoretical m/z 92.049472, Mass diff 0 (0.68 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-H]+, Rule of HR True"
+93.05727	3978164	"Theoretical m/z 93.057297, Mass diff 0 (0.3 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N]+, Rule of HR False"
+99.11674	2328901	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+102.04636	1350028	"Theoretical m/z 102.046398, Mass diff 0 (0.38 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05415	17174370	"Theoretical m/z 103.054223, Mass diff 0 (0.71 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+104.06195	9726849	"Theoretical m/z 104.062048, Mass diff 0 (0.95 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-2H]+, Rule of HR False"
+105.06982	8156076	"Theoretical m/z 105.069873, Mass diff 0 (0.51 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+106.06507	1589715	"Theoretical m/z 106.065128, Mass diff 0 (0.55 ppm), SMILES NCC1=CC=CC=C1, Annotation [C7H9N-H]+, Rule of HR True"
+113.13237	1360232	"Theoretical m/z 113.133026, Mass diff 0 (0 ppm), Formula C8H17"
+118.06498	7179476	"Theoretical m/z 118.065126, Mass diff 0 (1.23 ppm), SMILES NC(C1=CC=CC=C1)C, Annotation [C8H11N-3H]+, Rule of HR True"
+119.06025	1747935	"Theoretical m/z 119.060373, Mass diff 0 (1.03 ppm), SMILES C1=CC=C(C=C1)NNC, Annotation [C7H10N2-3H]+, Rule of HR True"
+121.01054	6952288	"Theoretical m/z 121.011196, Mass diff 0 (0 ppm), Formula C7H5S"
+129.04457	2381139	"Theoretical m/z 129.045273, Mass diff 0 (0 ppm), Formula C8H5N2"
+130.06502	2036222	"Theoretical m/z 130.065118, Mass diff 0 (0.75 ppm), SMILES N(=C)C(C1=CC=CC=C1)C, Annotation [C9H11N-3H]+, Rule of HR True"
+131.06024	1694144	"Theoretical m/z 131.060923, Mass diff 0 (0 ppm), Formula C8H7N2"
+132.05687	5223785
+133.06467	1497173	"Theoretical m/z 133.064792, Mass diff 0 (0.92 ppm), SMILES O=CC(C1=CC=CC=C1)C, Annotation [C9H10O-H]+, Rule of HR True"
+146.05989	1635793	"Theoretical m/z 146.060037, Mass diff 0 (1.01 ppm), SMILES O=C(N)C(C1=CC=CC=C1)C, Annotation [C9H11NO-3H]+, Rule of HR True"
+162.03708	6358848	"Theoretical m/z 162.037195, Mass diff 0 (0.71 ppm), SMILES N(=CS)C(C1=CC=CC=C1)C, Annotation [C9H11NS-3H]+, Rule of HR True"
+163.03226	2270290	"Theoretical m/z 163.032994, Mass diff 0 (0 ppm), Formula C8H7N2S"
+180.0806	5085106	"Theoretical m/z 180.08078, Mass diff 0 (-1 ppm), SMILES C1=CC2=CC3=C(C=CC=C3)[NH+]=C2C=C1, Annotation [C13H10N]+, Rule of HR True"
+191.06355	1931709	"Theoretical m/z 191.063745, Mass diff 0 (1.02 ppm), SMILES N(=C(N)SC)C(C1=CC=CC=C1)C, Annotation [C10H14N2S-3H]+, Rule of HR True"
+194.09631	2147028	"Theoretical m/z 194.096974, Mass diff 0 (0 ppm), Formula C14H12N"
+195.09154	2761186
+206.07457	32152276	"Theoretical m/z 206.07464, Mass diff 0 (0.34 ppm), SMILES N(=C(NN)SC)C(C1=CC=CC=C1)C, Annotation [C10H15N3S-3H]+, Rule of HR True"
+207.07802	3378894
+209.10724	7216709	"Theoretical m/z 209.107873, Mass diff 0 (0 ppm), Formula C14H13N2"
+210.11507	16279203
+211.11832	2385281
+223.08647	7150340	"Theoretical m/z 223.086587, Mass diff 0 (0.53 ppm), SMILES O=C(NNC1=CC=CC=C1)CC2=CC=CC=C2, Annotation [C14H14N2O-3H]+, Rule of HR True"
+237.10208	73182472	"Theoretical m/z 237.102243, Mass diff 0 (0.69 ppm), SMILES O=C(NNC1=CC=CC=C1)C(C2=CC=CC=C2)C, Annotation [C15H16N2O-3H]+, Rule of HR True"
+238.10997	95774784
+239.11317	16036299
+240.11644	1359291
+253.06654	1780430	"Theoretical m/z 253.068711, Mass diff 0.002 (0 ppm), Formula C16H13OS"
+268.09	129797872	"Theoretical m/z 268.090295, Mass diff 0 (1.1 ppm), SMILES N(=C(NNC1=CC=CC=C1)S)C(C2=CC=CC=C2)C, Annotation [C15H17N3S-3H]+, Rule of HR True"
+269.09351	20215544
+270.08588	6998940
+283.11356	8692036
+284.11704	1569478
+311.10815	1417036	"Theoretical m/z 311.108674, Mass diff 0.001 (1.68 ppm), SMILES O=C3N(NC1=CC=CC=C1)C(=NC3(C2=CC=CC=C2)C)SC, Annotation [C17H17N3OS]+, Rule of HR False"
+
+NAME: Fipronil
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2045.7
+PRECURSORMZ: 423.93658
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C12H4Cl2F6N4OS
+INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 59
+68.99461	1346919	"Theoretical m/z 68.994663, Mass diff 0 (0.77 ppm), SMILES FC(F)F, Annotation [CHF3-H]+, Rule of HR True"
+77.01337	4528715	"Theoretical m/z 77.013421, Mass diff 0 (0.67 ppm), SMILES N#CC(=N)C=C, Annotation [C4H4N2-3H]+, Rule of HR True"
+103.02116	3849516
+108.98366	1313867	"Theoretical m/z 108.984503, Mass diff 0 (0 ppm), Formula C6H2Cl"
+143.01024	6018750	"Theoretical m/z 143.01086, Mass diff 0 (0 ppm), Formula C7H2F3"
+144.01804	1281707	"Theoretical m/z 144.018485, Mass diff 0 (0 ppm), Formula C2H2F4N3"
+157.01329	3070500	"Theoretical m/z 157.013734, Mass diff 0 (0 ppm), Formula C2HF4N4"
+158.98062	2013222	"Theoretical m/z 158.981309, Mass diff 0 (0 ppm), Formula C7H2ClF2"
+165.9791	1405945
+176.97124	2994664	"Theoretical m/z 176.971338, Mass diff 0 (0.55 ppm), SMILES FC(F)(F)C1=CC=CC(=C1)Cl, Annotation [C7H4ClF3-3H]+, Rule of HR True"
+177.97906	7466558	"Theoretical m/z 177.979163, Mass diff 0 (0.58 ppm), SMILES FC(F)(F)C1=CC=CC(=C1)Cl, Annotation [C7H4ClF3-2H]+, Rule of HR False"
+178.98674	4807916	"Theoretical m/z 178.986988, Mass diff 0 (1.38 ppm), SMILES FC(F)(F)C1=CC=CC(=C1)Cl, Annotation [C7H4ClF3-H]+, Rule of HR True"
+179.97603	2821886
+180.98376	1337006
+191.98204	2263140
+193.94951	2074406	"Theoretical m/z 193.949622, Mass diff 0 (0.58 ppm), SMILES FC(F)C=1C=C(C=C(C=1)Cl)Cl, Annotation [C7H4Cl2F2-2H]+, Rule of HR False"
+200.94794	2103274	"Theoretical m/z 200.948565, Mass diff 0 (0 ppm), Formula C6H2Cl2F3"
+203.98227	1384896	"Theoretical m/z 203.982238, Mass diff 0 (0.16 ppm), SMILES FC(F)(F)C1=CC=C(NC)C(=C1)Cl, Annotation [C8H7ClF3N-5H]+, Rule of HR True"
+212.94786	33995708	"Theoretical m/z 212.948017, Mass diff 0 (0.74 ppm), SMILES FC(F)(F)C=1C=C(C=C(C=1)Cl)Cl, Annotation [C7H3Cl2F3-H]+, Rule of HR True"
+213.95113	2608114
+214.94486	22072846	"Theoretical m/z 214.945372, Mass diff 0 (0 ppm), Formula C4H2Cl2F5"
+215.94827	2316038
+216.94199	3515533
+227.95871	5198549	"Theoretical m/z 227.958912, Mass diff 0 (0.88 ppm), SMILES FC(F)(F)C=1C=C(C(N)=C(C=1)Cl)Cl, Annotation [C7H4Cl2F3N-H]+, Rule of HR True"
+229.95592	3306622	"Theoretical m/z 229.956429, Mass diff 0 (0 ppm), Formula C12H2Cl2N"
+240.95393	6238943	"Theoretical m/z 240.954172, Mass diff 0 (1 ppm), SMILES FC(F)(F)C=1C=C(C(NN)=C(C=1)Cl)Cl, Annotation [C7H5Cl2F3N2-3H]+, Rule of HR True"
+242.95123	4631945	"Theoretical m/z 242.951678, Mass diff 0 (0 ppm), Formula C12HCl2N2"
+244.99605	5124992	"Theoretical m/z 244.996207, Mass diff 0 (0.64 ppm), SMILES N#CC=NNC1=CC=C(C=C1Cl)C(F)(F)F, Annotation [C9H5ClF3N3-2H]+, Rule of HR False"
+246.00427	2451039
+246.99368	1638443	"Theoretical m/z 246.993766, Mass diff 0 (0 ppm), Formula C11H4ClF4"
+254.96957	14405399	"Theoretical m/z 254.969812, Mass diff 0 (0.95 ppm), SMILES FC(F)(F)C=1C=C(C(NCN)=C(C=1)Cl)Cl, Annotation [C8H7Cl2F3N2-3H]+, Rule of HR True"
+255.97292	1858478
+256.96661	9878153	"Theoretical m/z 256.96717, Mass diff 0 (0 ppm), Formula C5H4Cl2F5N2"
+258.96381	1684782
+261.957	1562958	"Theoretical m/z 261.957492, Mass diff 0 (0 ppm), Formula C11H2Cl2N3O"
+262.96527	2787806	"Theoretical m/z 262.965756, Mass diff 0 (0 ppm), Formula C9H3ClF3N2S"
+264.96182	1550626
+279.96765	1353794
+291.96481	1315585	"Theoretical m/z 291.965051, Mass diff 0 (0.83 ppm), SMILES FC(F)(F)C=1C=C(C(=C(C=1)Cl)N2N=CC=C2(N))Cl, Annotation [C10H6Cl2F3N3-3H]+, Rule of HR True"
+297.00513	1762391	"Theoretical m/z 297.004187, Mass diff 0.001 (3.17 ppm), SMILES FC(F)(F)C=1C=C(C(=C(C=1)Cl)N(N=CC)CN)Cl, Annotation [C10H10Cl2F3N3-2H]+, Rule of HR False"
+314.97131	1299116	"Theoretical m/z 314.971904, Mass diff 0 (0 ppm), Formula C11H3ClF3N4S"
+323.93695	2259060	"Theoretical m/z 323.937683, Mass diff 0 (0 ppm), Formula C10H3Cl2F3N3S"
+325.93387	1344970
+331.97385	6333364	"Theoretical m/z 331.974097, Mass diff 0 (0.74 ppm), SMILES N#CC1=NN(C(N)=C1S=O)C2=CC=C(C=C2Cl)C(F)(F)F, Annotation [C11H6ClF3N4OS-2H]+, Rule of HR False"
+333.97073	2126322	"Theoretical m/z 333.976177, Mass diff 0.005 (0 ppm), Formula C12H5Cl2F3N3O"
+347.94443	3028228	"Theoretical m/z 347.944556, Mass diff 0 (0.36 ppm), SMILES N#CC1=NN(C(N)=C1S=O)C=2C(=CC(=CC=2Cl)C(F)F)Cl, Annotation [C11H6Cl2F2N4OS-2H]+, Rule of HR False"
+349.94128	2109411	"Theoretical m/z 349.940222, Mass diff 0.001 (3.02 ppm), SMILES N#CC1=NN(C(N)=C1S)C=2C(=CC(=CC=2Cl)C(F)(F)F)Cl, Annotation [C11H5Cl2F3N4S-2H]+, Rule of HR False"
+350.94784	12005144	"Theoretical m/z 350.948047, Mass diff 0 (0.59 ppm), SMILES N#CC1=NN(C(N)=C1S)C=2C(=CC(=CC=2Cl)C(F)(F)F)Cl, Annotation [C11H5Cl2F3N4S-H]+, Rule of HR True"
+351.95087	1640990
+352.94476	7928576
+354.94165	1534135
+366.9429	127051480	"Theoretical m/z 366.942951, Mass diff 0 (0.14 ppm), SMILES N#CC1=NN(C(N)=C1S=O)C=2C(=CC(=CC=2Cl)C(F)(F)F)Cl, Annotation [C11H5Cl2F3N4OS-H]+, Rule of HR True"
+367.9465	14381648
+368.93964	86149120
+369.94333	9944149
+370.93631	16368414
+371.94016	1816663
+419.94281	2215503
+421.94009	1400413
+
+NAME: Flufenacet
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1983.7
+PRECURSORMZ: 363.06549
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H13F4N3O2S
+INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 54
+68.99458	2405859	"Theoretical m/z 68.994663, Mass diff 0 (1.2 ppm), SMILES FC(F)F, Annotation [CHF3-H]+, Rule of HR True"
+75.02289	1985338	"Theoretical m/z 75.022928, Mass diff 0 (0.5 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03851	825961	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+82.02126	448005	"Theoretical m/z 82.021679, Mass diff 0 (0 ppm), Formula H2F2N3"
+83.02909	2085901	"Theoretical m/z 83.029703, Mass diff 0 (0 ppm), Formula C5H4F"
+84.04432	758634	"Theoretical m/z 84.044389, Mass diff 0 (0.82 ppm), SMILES O=CNC(C)C, Annotation [C4H9NO-3H]+, Rule of HR True"
+84.0933	817276	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+89.03849	422640	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05417	480702	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+94.02126	394571	"Theoretical m/z 94.02133, Mass diff 0 (0.75 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F-2H]+, Rule of HR False"
+95.02906	4055182	"Theoretical m/z 95.029155, Mass diff 0 (1 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F-H]+, Rule of HR True"
+96.00546	4117724	"Theoretical m/z 96.005558, Mass diff 0 (1.02 ppm), SMILES FC(F)(F)C=N, Annotation [C2H2F3N-H]+, Rule of HR True"
+96.03686	932718	"Theoretical m/z 96.03698, Mass diff 0 (1.25 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F]+, Rule of HR False"
+97.04476	1788443	"Theoretical m/z 97.044805, Mass diff 0 (0.47 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F+H]+, Rule of HR True"
+109.04474	4147387	"Theoretical m/z 109.045353, Mass diff 0 (0 ppm), Formula C7H6F"
+110.03997	2356412	"Theoretical m/z 110.04005, Mass diff 0 (0.73 ppm), SMILES FC1=CC=C(N)C=C1, Annotation [C6H6FN-H]+, Rule of HR True"
+111.04778	3086445	"Theoretical m/z 111.047875, Mass diff 0 (0.86 ppm), SMILES FC1=CC=C(N)C=C1, Annotation [C6H6FN]+, Rule of HR False"
+112.05556	695240	"Theoretical m/z 112.0557, Mass diff 0 (1.25 ppm), SMILES FC1=CC=C(N)C=C1, Annotation [C6H6FN+H]+, Rule of HR True"
+112.96658	820022	"Theoretical m/z 112.966729, Mass diff 0 (1.32 ppm), SMILES FC(F)(F)CS, Annotation [C2H3F3S-3H]+, Rule of HR True"
+113.03963	727568	"Theoretical m/z 113.040268, Mass diff 0 (0 ppm), Formula C6H6FO"
+115.05412	453320	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06973	363704	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+121.03213	956484	"Theoretical m/z 121.032326, Mass diff 0 (0 ppm), Formula C4H9O2S"
+122.03992	19061436	"Theoretical m/z 122.040602, Mass diff 0 (0 ppm), Formula C7H5FN"
+123.01628	29383642	"Theoretical m/z 123.01646, Mass diff 0 (1.46 ppm), SMILES FC(F)(F)C=NN=C, Annotation [C3H3F3N2-H]+, Rule of HR True"
+123.04766	17501984	"Theoretical m/z 123.047976, Mass diff 0 (0 ppm), Formula C4H11O2S"
+124.05554	7662666	"Theoretical m/z 124.056252, Mass diff 0 (0 ppm), Formula C7H7FN"
+125.05897	445801
+128.98531	475652
+135.04771	1270796	"Theoretical m/z 135.047878, Mass diff 0 (1.25 ppm), SMILES FC1=CC=C(C=C1)NCC, Annotation [C8H10FN-4H]+, Rule of HR False"
+136.05559	25089632	"Theoretical m/z 136.055703, Mass diff 0 (0.83 ppm), SMILES FC1=CC=C(C=C1)NCC, Annotation [C8H10FN-3H]+, Rule of HR True"
+137.02699	5897100	"Theoretical m/z 137.027136, Mass diff 0 (1.07 ppm), SMILES O=CNC1=CC=C(F)C=C1, Annotation [C7H6FNO-2H]+, Rule of HR False"
+138.0348	3727725	"Theoretical m/z 138.034961, Mass diff 0 (1.17 ppm), SMILES O=CNC1=CC=C(F)C=C1, Annotation [C7H6FNO-H]+, Rule of HR True"
+138.07117	10043666	"Theoretical m/z 138.071354, Mass diff 0 (1.33 ppm), SMILES FC1=CC=C(C=C1)NCC, Annotation [C8H10FN-H]+, Rule of HR True"
+139.0746	801008
+150.07127	1521058	"Theoretical m/z 150.071903, Mass diff 0 (0 ppm), Formula C9H9FN"
+151.04269	1699024	"Theoretical m/z 151.042792, Mass diff 0 (0.67 ppm), SMILES O=C(NC1=CC=C(F)C=C1)C, Annotation [C8H8FNO-2H]+, Rule of HR False"
+151.07902	36125540
+152.05041	8870715	"Theoretical m/z 152.050617, Mass diff 0 (1.36 ppm), SMILES O=C(NC1=CC=C(F)C=C1)C, Annotation [C8H8FNO-H]+, Rule of HR True"
+153.09457	2215945	"Theoretical m/z 153.094834, Mass diff 0 (1.73 ppm), SMILES FC1=CC=C(C=C1)NC(C)C, Annotation [C9H12FN]+, Rule of HR False"
+154.98828	579110	"Theoretical m/z 154.988523, Mass diff 0 (1.57 ppm), SMILES FC(F)(F)C1=NN=CS1, Annotation [C3HF3N2S+H]+, Rule of HR True"
+169.97542	491365
+170.98326	973378	"Theoretical m/z 170.983442, Mass diff 0 (1.07 ppm), SMILES FC(F)(F)C1=NN=C(O)S1, Annotation [C3HF3N2OS+H]+, Rule of HR True"
+180.08177	534892
+182.98335	6314120	"Theoretical m/z 182.983448, Mass diff 0 (0.53 ppm), SMILES FC(F)(F)C1=NN=C(OC)S1, Annotation [C4H3F3N2OS-H]+, Rule of HR True"
+183.99114	766850
+184.97922	373121
+193.08958	535489
+194.09744	819553	"Theoretical m/z 194.097568, Mass diff 0 (0.66 ppm), SMILES O=C(N(C1=CC=C(F)C=C1)C(C)C)C, Annotation [C11H14FNO-H]+, Rule of HR True"
+209.99423	3366347	"Theoretical m/z 209.994892, Mass diff 0 (0 ppm), Formula C5H3F3N3OS"
+210.97816	29692308	"Theoretical m/z 210.978366, Mass diff 0 (0.98 ppm), SMILES O=CCOC1=NN=C(C(F)(F)F)S1, Annotation [C5H3F3N2O2S-H]+, Rule of HR True"
+211.98164	1752375
+212.97389	1390811
+321.01868	655355
+
+NAME: Mefenacet
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2584.7
+PRECURSORMZ: 298.07681
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H14N2O2S
+INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
+INCHI: 
+SMILES: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 34
+77.03854	9911940	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04638	2854584	"Theoretical m/z 78.046403, Mass diff 0 (0.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05419	4362890	"Theoretical m/z 79.054228, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+90.03384	1422298	"Theoretical m/z 90.033822, Mass diff 0 (0.2 ppm), SMILES NC1=CC=CC=C1, Annotation [C6H7N-3H]+, Rule of HR True"
+91.0542	13867099	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05754	1650893
+93.06986	1244081	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+96.00275	1172523
+103.05417	1019380	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.04942	4766652	"Theoretical m/z 104.049472, Mass diff 0 (0.5 ppm), SMILES N(=C)C1=CC=CC=C1, Annotation [C7H7N-H]+, Rule of HR True"
+105.05729	9626220	"Theoretical m/z 105.057303, Mass diff 0 (0.12 ppm), SMILES C1=CC=C(C=C1)NC, Annotation [C7H9N-2H]+, Rule of HR False"
+106.06509	9434674	"Theoretical m/z 106.065128, Mass diff 0 (0.36 ppm), SMILES C1=CC=C(C=C1)NC, Annotation [C7H9N-H]+, Rule of HR True"
+107.07289	3519172	"Theoretical m/z 107.072953, Mass diff 0 (0.59 ppm), SMILES C1=CC=C(C=C1)NC, Annotation [C7H9N]+, Rule of HR False"
+109.01062	4782282	"Theoretical m/z 109.010646, Mass diff 0 (0.24 ppm), SMILES C=1C=CC(=CC=1)S, Annotation [C6H6S-H]+, Rule of HR True"
+118.06502	5698128	"Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N"
+119.08547	1620257	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.0807	19676182	"Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N"
+121.10107	1713179	"Theoretical m/z 121.101725, Mass diff 0 (0 ppm), Formula C9H13"
+122.00579	1256957	"Theoretical m/z 122.005899, Mass diff 0 (0.89 ppm), SMILES NC1=CC=CC=C1S, Annotation [C6H7NS-3H]+, Rule of HR True"
+123.01362	1246112
+134.05994	3095284	"Theoretical m/z 134.060047, Mass diff 0 (0.8 ppm), SMILES O=CN(C1=CC=CC=C1)C, Annotation [C8H9NO-H]+, Rule of HR True"
+135.01358	949271
+136.02148	31541668	"Theoretical m/z 136.021543, Mass diff 0 (0.47 ppm), SMILES N1=CSC2=CC=CC=C12, Annotation [C7H5NS+H]+, Rule of HR True"
+137.02481	2533103
+138.01724	1434721
+147.06781	2978532	"Theoretical m/z 147.067862, Mass diff 0 (0.35 ppm), SMILES O=C(N(C1=CC=CC=C1)C)C, Annotation [C9H11NO-2H]+, Rule of HR False"
+148.07555	6143927	"Theoretical m/z 148.075687, Mass diff 0 (0.93 ppm), SMILES O=C(N(C1=CC=CC=C1)C)C, Annotation [C9H11NO-H]+, Rule of HR True"
+150.00072	2031417	"Theoretical m/z 150.000812, Mass diff 0 (0.61 ppm), SMILES OC2=NC1=CC=CC=C1S2, Annotation [C7H5NOS-H]+, Rule of HR True"
+151.00856	1882259
+164.01634	3960766	"Theoretical m/z 164.016468, Mass diff 0 (0.78 ppm), SMILES N=2C1=CC=CC=C1SC=2OC, Annotation [C8H7NOS-H]+, Rule of HR True"
+191.00372	2454418
+192.01122	93661608	"Theoretical m/z 192.011371, Mass diff 0 (0.79 ppm), SMILES O=CCOC2=NC1=CC=CC=C1S2, Annotation [C9H7NO2S-H]+, Rule of HR True"
+193.01466	9199599
+194.00702	4554545
+
+NAME: Methoprotryne
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2207.7
+PRECURSORMZ: 271.14609
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H21N5OS
+INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)NC1=NC(=NC(=N1)NCCCOC)SC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 56
+68.02429	3237640	"Theoretical m/z 68.024322, Mass diff 0 (0.46 ppm), SMILES N=C(N)NC, Annotation [C2H7N3-5H]+, Rule of HR True"
+69.04467	1980843	"Theoretical m/z 69.044725, Mass diff 0 (0.79 ppm), SMILES N=CNCC, Annotation [C3H8N2-3H]+, Rule of HR True"
+74.00584	1805669	"Theoretical m/z 74.005893, Mass diff 0 (0.72 ppm), SMILES N=CSC, Annotation [C2H5NS-H]+, Rule of HR True"
+83.06033	1759297	"Theoretical m/z 83.060373, Mass diff 0 (0.51 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-3H]+, Rule of HR True"
+84.98547	1185018	"Theoretical m/z 84.986044, Mass diff 0 (0 ppm), Formula C2HN2S"
+91.05421	1017056	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+99.00109	1916721	"Theoretical m/z 99.001146, Mass diff 0 (0.56 ppm), SMILES N=C(N=C)SC, Annotation [C3H6N2S-3H]+, Rule of HR True"
+103.03242	1646691	"Theoretical m/z 103.032446, Mass diff 0 (0.25 ppm), SMILES N=C(N=C)SC, Annotation [C3H6N2S+H]+, Rule of HR True"
+104.53618	1280731
+110.07122	1047715	"Theoretical m/z 110.071275, Mass diff 0 (0.5 ppm), SMILES N=CN=CNC(C)C, Annotation [C5H11N3-3H]+, Rule of HR True"
+111.06647	2805160	"Theoretical m/z 111.067071, Mass diff 0 (0 ppm), Formula C4H7N4"
+116.0276	1452935	"Theoretical m/z 116.027691, Mass diff 0 (0.78 ppm), SMILES N=C(N=CN)SC, Annotation [C3H7N3S-H]+, Rule of HR True"
+123.06644	1248443	"Theoretical m/z 123.066527, Mass diff 0 (0.71 ppm), SMILES N=C(N=CN)NC(C)C, Annotation [C5H12N4-5H]+, Rule of HR True"
+124.06157	1225469
+125.06952	2271818
+141.02286	1564597	"Theoretical m/z 141.022937, Mass diff 0 (0.55 ppm), SMILES N1=CN=C(N=C1N)SC, Annotation [C4H6N4S-H]+, Rule of HR True"
+142.04334	1918782	"Theoretical m/z 142.043344, Mass diff 0 (0.03 ppm), SMILES N=C(N=CNC(C)C)S, Annotation [C5H11N3S-3H]+, Rule of HR True"
+151.09773	1099862	"Theoretical m/z 151.097823, Mass diff 0 (0.62 ppm), SMILES N=C(N=CNCC)NC(C)C, Annotation [C7H16N4-5H]+, Rule of HR True"
+152.09303	1897605	"Theoretical m/z 152.093067, Mass diff 0 (0.24 ppm), SMILES N1=CN=C(N=C1N)NC(C)C, Annotation [C6H11N5-H]+, Rule of HR True"
+156.03372	7881362	"Theoretical m/z 156.033847, Mass diff 0 (0.82 ppm), SMILES N=1C(=NC(=NC=1N)SC)N, Annotation [C4H7N5S-H]+, Rule of HR True"
+156.04629	3267294	"Theoretical m/z 156.046418, Mass diff 0 (0.82 ppm), SMILES N=1C=NC(=NC=1NC)SC, Annotation [C5H8N4S]+, Rule of HR False"
+157.04176	2238600	"Theoretical m/z 157.041672, Mass diff 0 (0.56 ppm), SMILES N=1C(=NC(=NC=1N)SC)N, Annotation [C4H7N5S]+, Rule of HR False"
+158.04945	5333777	"Theoretical m/z 158.049498, Mass diff 0 (0.3 ppm), SMILES N=1C(=NC(=NC=1N)SC)N, Annotation [C4H7N5S+H]+, Rule of HR True"
+167.03853	3476070	"Theoretical m/z 167.038598, Mass diff 0 (0.41 ppm), SMILES N1=CN=C(N=C1NC(C)C)S, Annotation [C6H10N4S-3H]+, Rule of HR True"
+167.11647	1715341	"Theoretical m/z 167.116547, Mass diff 0 (0.46 ppm), SMILES N1=CN=C(N=C1NC)NC(C)C, Annotation [C7H13N5]+, Rule of HR False"
+169.05418	3357100	"Theoretical m/z 169.054248, Mass diff 0 (0.4 ppm), SMILES N1=CN=C(N=C1NC(C)C)S, Annotation [C6H10N4S-H]+, Rule of HR True"
+170.04941	16538437	"Theoretical m/z 170.049488, Mass diff 0 (0.46 ppm), SMILES N=1C(=NC(=NC=1NC)SC)N, Annotation [C5H9N5S-H]+, Rule of HR True"
+171.05718	13720702	"Theoretical m/z 171.057313, Mass diff 0 (0.78 ppm), SMILES N=1C(=NC(=NC=1NC)SC)N, Annotation [C5H9N5S]+, Rule of HR False"
+172.06044	1454175
+180.12428	2188352	"Theoretical m/z 180.124363, Mass diff 0 (0.46 ppm), SMILES N1=CN=C(N=C1NCC)NC(C)C, Annotation [C8H15N5-H]+, Rule of HR True"
+182.0495	2520994	"Theoretical m/z 182.049493, Mass diff 0 (0.04 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)N, Annotation [C6H11N5S-3H]+, Rule of HR True"
+184.06512	19747858	"Theoretical m/z 184.065143, Mass diff 0 (0.13 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)N, Annotation [C6H11N5S-H]+, Rule of HR True"
+185.06847	1640332
+196.06514	10009453	"Theoretical m/z 196.065133, Mass diff 0 (0.03 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)NC, Annotation [C7H13N5S-3H]+, Rule of HR True"
+197.08553	1393282	"Theoretical m/z 197.08554, Mass diff 0 (0.05 ppm), SMILES N(=CSC)C(=NCNC(C)C)NC, Annotation [C8H18N4S-5H]+, Rule of HR True"
+198.08072	16135952	"Theoretical m/z 198.080783, Mass diff 0 (0.32 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)N, Annotation [C7H13N5S-H]+, Rule of HR True"
+199.08856	5603662	"Theoretical m/z 199.088609, Mass diff 0 (0.24 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)N, Annotation [C7H13N5S]+, Rule of HR False"
+200.09634	12864764	"Theoretical m/z 200.096434, Mass diff 0 (0.47 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)N, Annotation [C7H13N5S+H]+, Rule of HR True"
+201.09956	1093345
+210.08072	1672255	"Theoretical m/z 210.080789, Mass diff 0 (0.33 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)NCC, Annotation [C8H15N5S-3H]+, Rule of HR True"
+212.09636	25203208	"Theoretical m/z 212.096439, Mass diff 0 (0.37 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)NC, Annotation [C8H15N5S-H]+, Rule of HR True"
+213.10429	16322186	"Theoretical m/z 213.104264, Mass diff 0 (0.12 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)NC, Annotation [C8H15N5S]+, Rule of HR False"
+214.07558	7220538	"Theoretical m/z 214.075702, Mass diff 0 (0.57 ppm), SMILES N=1C(=NC(=NC=1NCCCOC)S)N, Annotation [C7H13N5OS-H]+, Rule of HR True"
+224.09634	14646181	"Theoretical m/z 224.096444, Mass diff 0 (0.47 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)NCCC, Annotation [C9H17N5S-3H]+, Rule of HR True"
+225.09969	1583058
+226.11198	18376224	"Theoretical m/z 226.112095, Mass diff 0 (0.51 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)NCC, Annotation [C9H17N5S-H]+, Rule of HR True"
+227.11526	1665484
+238.11202	1754669	"Theoretical m/z 238.112642, Mass diff 0 (0 ppm), Formula C10H16N5S"
+240.12758	18078464	"Theoretical m/z 240.127735, Mass diff 0 (0.64 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)NCCC, Annotation [C10H19N5S-H]+, Rule of HR True"
+241.13609	4122948
+242.12337	1217556
+256.12244	99327616	"Theoretical m/z 256.122669, Mass diff 0 (0.89 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)NCCCOC, Annotation [C10H19N5OS-H]+, Rule of HR True"
+257.12598	8494043
+258.11822	3980798
+270.13815	1037804	"Theoretical m/z 270.138856, Mass diff 0 (0 ppm), Formula C11H20N5OS"
+271.14609	1697297	"Theoretical m/z 271.146119, Mass diff 0 (0.11 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)NCCCOC, Annotation [C11H21N5OS]+, Rule of HR False"
+
+NAME: Metribuzin
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1876.1
+PRECURSORMZ: 214.0882
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H14N4OS
+INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C1=NN=C(N(C1=O)N)SC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 33
+67.05419	801538	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+69.0083	667030	"Theoretical m/z 69.00834, Mass diff 0 (0.58 ppm), SMILES O=CC=NN, Annotation [C2H4N2O-3H]+, Rule of HR True"
+69.06983	1162671	"Theoretical m/z 69.069879, Mass diff 0 (0.71 ppm), SMILES CC(C)(C)C, Annotation [C5H12-3H]+, Rule of HR True"
+74.00584	2005692	"Theoretical m/z 74.005893, Mass diff 0 (0.72 ppm), SMILES N=CSC, Annotation [C2H5NS-H]+, Rule of HR True"
+81.06986	672590	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.06508	4658182	"Theoretical m/z 82.065125, Mass diff 0 (-0.54 ppm), SMILES C[N+]1=CC=CC1, Annotation [C5H8N]+, Rule of HR True"
+83.08547	697491	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+87.99635	1226043	"Theoretical m/z 87.996393, Mass diff 0 (0.48 ppm), SMILES N=C(NN)S, Annotation [CH5N3S-3H]+, Rule of HR True"
+89.01673	2175450	"Theoretical m/z 89.016796, Mass diff 0 (0.74 ppm), SMILES N=C(N)SC, Annotation [C2H6N2S-H]+, Rule of HR True"
+103.01981	1491654	"Theoretical m/z 103.019865, Mass diff 0 (0.54 ppm), SMILES N=C(NN)SC, Annotation [C2H7N3S-2H]+, Rule of HR False"
+108.0443	754066	"Theoretical m/z 108.044939, Mass diff 0 (0 ppm), Formula C6H6NO"
+110.06	3538339	"Theoretical m/z 110.060037, Mass diff 0 (0.34 ppm), SMILES O=CC(=N)C(C)(C)C, Annotation [C6H11NO-3H]+, Rule of HR True"
+111.06778	1006754	"Theoretical m/z 111.067862, Mass diff 0 (0.74 ppm), SMILES O=CC(=N)C(C)(C)C, Annotation [C6H11NO-2H]+, Rule of HR False"
+114.03716	647022	"Theoretical m/z 114.037745, Mass diff 0 (0 ppm), Formula C5H8NS"
+114.99599	2333842	"Theoretical m/z 114.996057, Mass diff 0 (0.58 ppm), SMILES O=CNC(=N)SC, Annotation [C3H6N2OS-3H]+, Rule of HR True"
+128.02757	2936982	"Theoretical m/z 128.028243, Mass diff 0 (0 ppm), Formula C4H6N3S"
+144.04634	5106646	"Theoretical m/z 144.04831, Mass diff 0.001 (0 ppm), Formula C6H10NOS"
+150.06609	720383	"Theoretical m/z 150.066186, Mass diff 0 (0.64 ppm), SMILES O=C1NC=NN=C1C(C)(C)C, Annotation [C7H11N3O-3H]+, Rule of HR True"
+151.07391	1992911
+152.08179	766927	"Theoretical m/z 152.081836, Mass diff 0 (0.3 ppm), SMILES O=C1NC=NN=C1C(C)(C)C, Annotation [C7H11N3O-H]+, Rule of HR True"
+153.04797	1845811	"Theoretical m/z 153.048644, Mass diff 0 (0 ppm), Formula C7H9N2S"
+154.0432	1285874	"Theoretical m/z 154.043893, Mass diff 0 (0 ppm), Formula C6H8N3S"
+170.07484	744977	"Theoretical m/z 170.07464, Mass diff 0 (1.18 ppm), SMILES N(N=C(N)SC)=CC(C)(C)C, Annotation [C7H15N3S-3H]+, Rule of HR True"
+171.06978	4384938	"Theoretical m/z 171.069894, Mass diff 0 (0.67 ppm), SMILES N(N=C(NN)S)=CC(C)(C)C, Annotation [C6H14N4S-3H]+, Rule of HR True"
+172.04121	682222
+182.03812	5648458	"Theoretical m/z 182.038263, Mass diff 0 (0.78 ppm), SMILES O=C1NC(=NN=C1C(C)(C)C)S, Annotation [C7H11N3OS-3H]+, Rule of HR True"
+183.0416	674473
+184.05385	626962	"Theoretical m/z 184.053913, Mass diff 0 (0.34 ppm), SMILES O=C1NC(=NN=C1C(C)(C)C)S, Annotation [C7H11N3OS-H]+, Rule of HR True"
+185.08546	1371681	"Theoretical m/z 185.085534, Mass diff 0 (0.4 ppm), SMILES N(N=C(NN)SC)=CC(C)(C)C, Annotation [C7H16N4S-3H]+, Rule of HR True"
+196.05399	825545	"Theoretical m/z 196.054458, Mass diff 0 (0 ppm), Formula C8H10N3OS"
+198.06944	59767564	"Theoretical m/z 198.069553, Mass diff 0 (0.57 ppm), SMILES O=C1NC(=NN=C1C(C)(C)C)SC, Annotation [C8H13N3OS-H]+, Rule of HR True"
+199.07274	7960546
+200.065	2721404
+
+NAME: Prometryn
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1894.1
+PRECURSORMZ: 241.13536
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H19N5S
+INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)NC1=NC(=NC(=N1)SC)NC(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 55
+68.0243	4663041	"Theoretical m/z 68.024872, Mass diff 0 (0 ppm), Formula C2H2N3"
+69.04468	4885187	"Theoretical m/z 69.044725, Mass diff 0 (0.65 ppm), SMILES N=CNCC, Annotation [C3H8N2-3H]+, Rule of HR True"
+74.00586	2434556	"Theoretical m/z 74.005893, Mass diff 0 (0.45 ppm), SMILES N=CSC, Annotation [C2H5NS-H]+, Rule of HR True"
+83.06033	2455075	"Theoretical m/z 83.060373, Mass diff 0 (0.51 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-3H]+, Rule of HR True"
+84.98547	2802096	"Theoretical m/z 84.986044, Mass diff 0 (0 ppm), Formula C2HN2S"
+91.05421	1435098	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.01961	1485381	"Theoretical m/z 93.020121, Mass diff 0 (0 ppm), Formula C3HN4"
+94.03994	3073549	"Theoretical m/z 94.040522, Mass diff 0 (0 ppm), Formula C4H4N3"
+95.03519	1454417	"Theoretical m/z 95.035771, Mass diff 0 (0 ppm), Formula C3H3N4"
+99.0011	1505298	"Theoretical m/z 99.001146, Mass diff 0 (0.46 ppm), SMILES N=CN=CSC, Annotation [C3H6N2S-3H]+, Rule of HR True"
+100.00895	1210374
+102.01202	1066587	"Theoretical m/z 102.012593, Mass diff 0 (0 ppm), Formula C2H4N3S"
+105.54401	7329300
+110.07125	4874787	"Theoretical m/z 110.071275, Mass diff 0 (0.23 ppm), SMILES N=C(N=C)NC(C)C, Annotation [C5H11N3-3H]+, Rule of HR True"
+111.0539	8469886
+112.06168	965425	"Theoretical m/z 112.06232, Mass diff 0 (0 ppm), Formula C3H6N5"
+116.02763	2652706	"Theoretical m/z 116.027691, Mass diff 0 (0.52 ppm), SMILES N=C(N=CSC)N, Annotation [C3H7N3S-H]+, Rule of HR True"
+117.04802	1787933	"Theoretical m/z 117.048644, Mass diff 0 (0 ppm), Formula C4H9N2S"
+125.08212	1553684	"Theoretical m/z 125.082177, Mass diff 0 (0.46 ppm), SMILES N=C(N=CN)NC(C)C, Annotation [C5H12N4-3H]+, Rule of HR True"
+127.00721	2344430	"Theoretical m/z 127.007293, Mass diff 0 (0.65 ppm), SMILES N=C(N=C(N)SC)N, Annotation [C3H8N4S-5H]+, Rule of HR True"
+136.06171	1044891	"Theoretical m/z 136.06232, Mass diff 0 (0 ppm), Formula C5H6N5"
+137.08211	1214460	"Theoretical m/z 137.082172, Mass diff 0 (0.45 ppm), SMILES N=1C=NC(=NC=1)NC(C)C, Annotation [C6H10N4-H]+, Rule of HR True"
+141.02283	1521055	"Theoretical m/z 141.022937, Mass diff 0 (0.76 ppm), SMILES N=1C=NC(=NC=1N)SC, Annotation [C4H6N4S-H]+, Rule of HR True"
+142.04332	5096922	"Theoretical m/z 142.043344, Mass diff 0 (0.17 ppm), SMILES N=C(N=CS)NC(C)C, Annotation [C5H11N3S-3H]+, Rule of HR True"
+143.03851	1509114	"Theoretical m/z 143.038587, Mass diff 0 (0.54 ppm), SMILES N=1C=NC(=NC=1N)SC, Annotation [C4H6N4S+H]+, Rule of HR True"
+151.09767	964083	"Theoretical m/z 151.097823, Mass diff 0 (1.01 ppm), SMILES N=C(N=CNCC)NC(C)C, Annotation [C7H16N4-5H]+, Rule of HR True"
+152.02762	2442048	"Theoretical m/z 152.028243, Mass diff 0 (0 ppm), Formula C6H6N3S"
+152.093	6106622	"Theoretical m/z 152.093067, Mass diff 0 (0.44 ppm), SMILES N1=CN=C(N=C1N)NC(C)C, Annotation [C6H11N5-H]+, Rule of HR True"
+153.10071	955094
+156.03369	4671796	"Theoretical m/z 156.033847, Mass diff 0 (1.01 ppm), SMILES N=1C(=NC(=NC=1N)SC)N, Annotation [C4H7N5S-H]+, Rule of HR True"
+157.04161	5455114
+157.0542	1713158	"Theoretical m/z 157.054239, Mass diff 0 (0.25 ppm), SMILES N=C(N=C(N)NC(C)C)S, Annotation [C5H12N4S-3H]+, Rule of HR True"
+166.10872	3766818	"Theoretical m/z 166.108718, Mass diff 0 (0.01 ppm), SMILES N=C(N=C(N)NCC)NC(C)C, Annotation [C7H17N5-5H]+, Rule of HR True"
+167.11652	1286516
+169.05418	10233495	"Theoretical m/z 169.054248, Mass diff 0 (0.4 ppm), SMILES N1=CN=C(N=C1NC(C)C)S, Annotation [C6H10N4S-H]+, Rule of HR True"
+171.0566	874144
+182.04953	1008481	"Theoretical m/z 182.049493, Mass diff 0 (0.2 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)N, Annotation [C6H11N5S-3H]+, Rule of HR True"
+183.0699	1001339	"Theoretical m/z 183.069889, Mass diff 0 (0.06 ppm), SMILES N1=CN=C(N=C1NC(C)C)SC, Annotation [C7H12N4S-H]+, Rule of HR True"
+184.06512	84709392	"Theoretical m/z 184.065143, Mass diff 0 (0.13 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)N, Annotation [C6H11N5S-H]+, Rule of HR True"
+185.0854	11696520	"Theoretical m/z 185.085539, Mass diff 0 (0.75 ppm), SMILES N1=CN=C(N=C1NC(C)C)SC, Annotation [C7H12N4S+H]+, Rule of HR True"
+186.06079	3904119
+198.08076	5564978	"Theoretical m/z 198.080783, Mass diff 0 (0.12 ppm), SMILES N1=C(N=C(N=C1NC(C)C)SC)N, Annotation [C7H13N5S-H]+, Rule of HR True"
+199.08852	24254688
+200.09184	2267287
+201.08435	1064042
+208.15568	889841	"Theoretical m/z 208.156221, Mass diff 0 (0 ppm), Formula C10H18N5"
+210.08067	1173850	"Theoretical m/z 210.080789, Mass diff 0 (0.57 ppm), SMILES N1=C(N=C(N=C1NC(C)C)S)NCC, Annotation [C8H15N5S-3H]+, Rule of HR True"
+224.09645	1131748	"Theoretical m/z 224.096991, Mass diff 0 (0 ppm), Formula C9H14N5S"
+226.11194	45646604	"Theoretical m/z 226.112095, Mass diff 0 (0.68 ppm), SMILES N=1C(=NC(=NC=1NC(C)C)S)NC(C)C, Annotation [C9H17N5S-H]+, Rule of HR True"
+227.1151	4563683
+228.10759	2150186
+240.12764	5354142	"Theoretical m/z 240.128292, Mass diff 0 (0 ppm), Formula C10H18N5S"
+241.13536	64465888	"Theoretical m/z 241.13556, Mass diff 0 (0.83 ppm), SMILES N=1C(=NC(=NC=1NC(C)C)SC)NC(C)C, Annotation [C10H19N5S]+, Rule of HR False"
+242.13878	7597421
+243.13116	2947180
+
+NAME: Propargite_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2426.8
+PRECURSORMZ: 350.15448
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H26O4S
+INCHIKEY: ZYHMJXZULPZUED-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 44
+77.03854	779979	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05419	1498338	"Theoretical m/z 79.054228, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06986	1786534	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+91.05419	2018316	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06987	244543	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+95.08548	845730	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+105.06986	793528	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04907	4399366	"Theoretical m/z 107.049141, Mass diff 0 (-0.66 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05241	370940
+109.10114	332901	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+115.05417	793520	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06979	802699	"Theoretical m/z 117.069879, Mass diff 0 (0.76 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+118.07758	275263
+119.04905	421262	"Theoretical m/z 119.049142, Mass diff 0 (0.77 ppm), SMILES O(C1=CC=CC=C1)CC, Annotation [C8H10O-3H]+, Rule of HR True"
+121.0647	1076980	"Theoretical m/z 121.064792, Mass diff 0 (0.76 ppm), SMILES O(C1=CC=CC=C1)CC, Annotation [C8H10O-H]+, Rule of HR True"
+129.06976	267886	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.04909	1090078	"Theoretical m/z 131.049148, Mass diff 0 (0.44 ppm), SMILES O(C1=CC=CC=C1)CCC, Annotation [C9H12O-5H]+, Rule of HR True"
+132.05692	905429	"Theoretical m/z 132.056973, Mass diff 0 (0.4 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-4H]+, Rule of HR False"
+133.06473	508552	"Theoretical m/z 133.064798, Mass diff 0 (0.51 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-3H]+, Rule of HR True"
+134.07248	268502	"Theoretical m/z 134.072623, Mass diff 0 (1.06 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-2H]+, Rule of HR False"
+135.08029	23095322	"Theoretical m/z 135.080448, Mass diff 0 (1.17 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+136.08368	2209862
+137.09599	316792	"Theoretical m/z 137.096098, Mass diff 0 (0.79 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O+H]+, Rule of HR True"
+145.0647	459215	"Theoretical m/z 145.064788, Mass diff 0 (0.61 ppm), SMILES O(C1=CC=C(C=C1)C(C)C)C, Annotation [C10H14O-5H]+, Rule of HR True"
+149.09601	401605	"Theoretical m/z 149.096088, Mass diff 0 (0.52 ppm), SMILES OC1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14O-H]+, Rule of HR True"
+150.10384	1511618
+161.09601	630059	"Theoretical m/z 161.096094, Mass diff 0 (0.52 ppm), SMILES O(C1=CC=C(C=C1)C(C)(C)C)C, Annotation [C11H16O-3H]+, Rule of HR True"
+173.09605	6407118	"Theoretical m/z 173.096099, Mass diff 0 (0.28 ppm), SMILES O(C1=CC=C(C=C1)C(C)(C)C)CC, Annotation [C12H18O-5H]+, Rule of HR True"
+174.09938	769866
+175.11168	943601	"Theoretical m/z 175.111749, Mass diff 0 (0.39 ppm), SMILES O(C1=CC=C(C=C1)C(C)(C)C)CC, Annotation [C12H18O-3H]+, Rule of HR True"
+201.05788	455517	"Theoretical m/z 201.057987, Mass diff 0 (0.53 ppm), SMILES O=S(OCC#C)OC1CCCCC1, Annotation [C9H14O3S-H]+, Rule of HR True"
+215.14302	903595	"Theoretical m/z 215.143035, Mass diff 0 (0.07 ppm), SMILES O(C1=CC=C(C=C1)C(C)(C)C)CCCCC, Annotation [C15H24O-5H]+, Rule of HR True"
+231.13788	1473476	"Theoretical m/z 231.137954, Mass diff 0 (0.32 ppm), SMILES OC(COC1=CC=C(C=C1)C(C)(C)C)CCC, Annotation [C15H24O2-5H]+, Rule of HR True"
+233.15349	412831	"Theoretical m/z 233.153604, Mass diff 0 (0.49 ppm), SMILES OC(COC1=CC=C(C=C1)C(C)(C)C)CCC, Annotation [C15H24O2-3H]+, Rule of HR True"
+246.16138	275709
+248.17697	1229712
+252.08124	308439
+257.22629	625929
+298.26538	1492759
+299.26819	279422
+335.1308	1240146	"Theoretical m/z 335.131158, Mass diff 0 (1.07 ppm), SMILES O=S(OCC#C)OC(COC1=CC=C(C=C1)C(C)(C)C)CCC, Annotation [C18H26O4S-3H]+, Rule of HR True"
+336.13422	277221
+350.15448	1752990	"Theoretical m/z 350.154633, Mass diff 0 (0.44 ppm), SMILES O=S(OCC#C)OC2CCCCC2(OC1=CC=C(C=C1)C(C)(C)C), Annotation [C19H26O4S]+, Rule of HR False"
+351.15787	379100
+
+NAME: Propargite_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2429.5
+PRECURSORMZ: 350.15442
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H26O4S
+INCHIKEY: ZYHMJXZULPZUED-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 38
+77.03853	2115179	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05419	3994768	"Theoretical m/z 79.054228, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06985	6227834	"Theoretical m/z 81.069878, Mass diff 0 (-0.34 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+91.05419	6013970	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06987	1057452	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+95.0855	1864389	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+103.05418	1119646	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+105.06986	1985952	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04907	10050027	"Theoretical m/z 107.049141, Mass diff 0 (-0.66 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05241	764883
+115.05418	1909072	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06979	2358374	"Theoretical m/z 117.069879, Mass diff 0 (0.76 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+118.07758	720160
+119.0491	1078581	"Theoretical m/z 119.049142, Mass diff 0 (0.35 ppm), SMILES O(C1=CC=CC=C1)CC, Annotation [C8H10O-3H]+, Rule of HR True"
+121.06471	2276538	"Theoretical m/z 121.064792, Mass diff 0 (0.68 ppm), SMILES O(C1=CC=CC=C1)CC, Annotation [C8H10O-H]+, Rule of HR True"
+129.06978	566676	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07765	536101
+131.04909	1976360	"Theoretical m/z 131.049148, Mass diff 0 (0.44 ppm), SMILES O(C1=CC=CC=C1)CCC, Annotation [C9H12O-5H]+, Rule of HR True"
+132.05692	1361339	"Theoretical m/z 132.056973, Mass diff 0 (0.4 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-4H]+, Rule of HR False"
+133.06476	1040249	"Theoretical m/z 133.064798, Mass diff 0 (0.28 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-3H]+, Rule of HR True"
+134.07257	551605	"Theoretical m/z 134.072623, Mass diff 0 (0.39 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-2H]+, Rule of HR False"
+135.08029	49002268	"Theoretical m/z 135.080448, Mass diff 0 (1.17 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+136.08368	4826461
+145.06471	975978	"Theoretical m/z 145.064788, Mass diff 0 (0.54 ppm), SMILES O(C1=CC=C(C=C1)C(C)C)C, Annotation [C10H14O-5H]+, Rule of HR True"
+149.09605	725338	"Theoretical m/z 149.096088, Mass diff 0 (0.26 ppm), SMILES OC1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14O-H]+, Rule of HR True"
+150.10384	3189173
+161.09599	995348	"Theoretical m/z 161.096094, Mass diff 0 (0.64 ppm), SMILES O(C1=CC=C(C=C1)C(C)(C)C)C, Annotation [C11H16O-3H]+, Rule of HR True"
+173.09607	11496317	"Theoretical m/z 173.096099, Mass diff 0 (0.17 ppm), SMILES O(C1=CC=C(C=C1)C(C)(C)C)CC, Annotation [C12H18O-5H]+, Rule of HR True"
+174.09935	1474590
+175.11166	1373165	"Theoretical m/z 175.111749, Mass diff 0 (0.51 ppm), SMILES O(C1=CC=C(C=C1)C(C)(C)C)CC, Annotation [C12H18O-3H]+, Rule of HR True"
+201.05788	763159	"Theoretical m/z 201.057987, Mass diff 0 (0.53 ppm), SMILES O=S(OCC#C)OC1CCCCC1, Annotation [C9H14O3S-H]+, Rule of HR True"
+231.13791	3823428	"Theoretical m/z 231.137954, Mass diff 0 (0.19 ppm), SMILES OC(COC1=CC=C(C=C1)C(C)(C)C)CCC, Annotation [C15H24O2-5H]+, Rule of HR True"
+232.14111	578154
+233.15352	914475	"Theoretical m/z 233.153604, Mass diff 0 (0.36 ppm), SMILES OC(COC1=CC=C(C=C1)C(C)(C)C)CCC, Annotation [C15H24O2-3H]+, Rule of HR True"
+246.16122	689443
+248.17691	2648982
+335.13077	1641920	"Theoretical m/z 335.131158, Mass diff 0 (1.16 ppm), SMILES O=S(OCC#C)OC(COC1=CC=C(C=C1)C(C)(C)C)CCC, Annotation [C18H26O4S-3H]+, Rule of HR True"
+350.15442	3318070	"Theoretical m/z 350.154633, Mass diff 0 (0.61 ppm), SMILES O=S(OCC#C)OC2CCCCC2(OC1=CC=C(C=C1)C(C)(C)C), Annotation [C19H26O4S]+, Rule of HR False"
+
+NAME: Thiofanox
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1214.2
+PRECURSORMZ: 216.09338
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H18N2O2S
+INCHIKEY: FZSVSABTBYGOQH-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C(=NOC(=O)NC)CSC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 24
+75.02605	60416	"Theoretical m/z 75.026294, Mass diff 0 (3.26 ppm), SMILES CCSC, Annotation [C3H8S-H]+, Rule of HR True"
+77.0053	4178080	"Theoretical m/z 77.006111, Mass diff 0 (0 ppm), Formula C2H5OS"
+78.04639	203694	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.00215	264803
+79.05421	120473	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+87.02605	49081	"Theoretical m/z 87.026846, Mass diff 0 (0 ppm), Formula C4H7S"
+87.04398	46357	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+89.0385	85096	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+95.01586	1146694	"Theoretical m/z 95.016675, Mass diff 0 (0 ppm), Formula C2H7O2S"
+99.04394	55321	"Theoretical m/z 99.044604, Mass diff 0 (0 ppm), Formula C5H7O2"
+103.05421	256537	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+119.05223	1899486	"Theoretical m/z 119.053061, Mass diff 0 (0 ppm), Formula C5H11OS"
+120.05181	108943
+121.0647	93105	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.04709	79867	"Theoretical m/z 123.047976, Mass diff 0 (0 ppm), Formula C4H11O2S"
+137.06277	311484	"Theoretical m/z 137.060255, Mass diff -0.003 (0 ppm), Formula C8H9O2"
+139.05409	46318	"Theoretical m/z 139.054124, Mass diff -0.001 (0 ppm), Formula C3H11N2O2S"
+147.08353	182780	"Theoretical m/z 147.084361, Mass diff 0 (0 ppm), Formula C7H15OS"
+161.09917	2048650	"Theoretical m/z 161.100011, Mass diff 0 (0 ppm), Formula C8H17OS"
+162.10258	255999
+163.09595	84577
+229.16202	45048
+326.96558	105184
+415.03626	53962
+
+NAME: Cyazofamid
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2429.8
+PRECURSORMZ: 324.04407
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H13ClN4O2S
+INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 65
+68.05757	30051
+72.08885	21557
+75.02291	44336	"Theoretical m/z 75.022928, Mass diff 0 (0.23 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+76.03074	24724	"Theoretical m/z 76.030753, Mass diff 0 (0.17 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-2H]+, Rule of HR False"
+96.09329	68699	"Theoretical m/z 96.0939, Mass diff 0 (0 ppm), Formula C7H12"
+98.0362	100837	"Theoretical m/z 98.035437, Mass diff -0.001 (0 ppm), Formula C3H4N3O"
+98.10448	52182
+101.05969	35187	"Theoretical m/z 101.059708, Mass diff 0 (-0.17 ppm), SMILES COC(=O)CC[CH2+], Annotation [C5H9O2]+, Rule of HR True"
+102.04636	120422	"Theoretical m/z 102.046398, Mass diff 0 (0.38 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-4H]+, Rule of HR False"
+103.05417	590940	"Theoretical m/z 103.054223, Mass diff 0 (0.52 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-3H]+, Rule of HR True"
+104.06197	159550	"Theoretical m/z 104.062048, Mass diff 0 (0.75 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-2H]+, Rule of HR False"
+108.0113	2013884	"Theoretical m/z 108.011379, Mass diff 0 (0.73 ppm), SMILES O=S(=O)N(C)C, Annotation [C2H7NO2S-H]+, Rule of HR True"
+110.00713	82522
+126.03108	46272	"Theoretical m/z 126.032181, Mass diff 0.001 (0 ppm), Formula C3H9ClNO2"
+126.06741	71158	"Theoretical m/z 126.06808, Mass diff 0 (0 ppm), Formula C7H10O2"
+137.01483	44300	"Theoretical m/z 137.015247, Mass diff 0 (3.04 ppm), SMILES C1=CC=C(C=C1)C=CCl, Annotation [C8H7Cl-H]+, Rule of HR True"
+144.05693	57114	"Theoretical m/z 144.058002, Mass diff 0.001 (0 ppm), Formula C7H11ClN"
+148.088	47403	"Theoretical m/z 148.087472, Mass diff -0.001 (0 ppm), Formula C8H10N3"
+148.12448	73111
+153.06973	30191	"Theoretical m/z 153.069227, Mass diff 0 (3.29 ppm), SMILES O=S(=O)(NCC)N(C)C, Annotation [C4H12N2O2S+H]+, Rule of HR True"
+154.9716	20188	"Theoretical m/z 154.972224, Mass diff 0 (0 ppm), Formula C7H4ClS"
+155.06027	239677	"Theoretical m/z 155.060378, Mass diff 0 (0.7 ppm), SMILES N#CCNCC1=CC=C(C=C1)C, Annotation [C10H12N2-5H]+, Rule of HR True"
+157.10114	38775	"Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13"
+164.02603	206900	"Theoretical m/z 164.026147, Mass diff 0 (0.71 ppm), SMILES NC(=CCl)C1=CC=C(C=C1)C, Annotation [C9H10ClN-3H]+, Rule of HR True"
+165.06987	41795	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.02319	21663
+166.07762	74544	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+170.07248	39014
+179.0854	42134	"Theoretical m/z 179.082053, Mass diff -0.004 (0 ppm), Formula C9H11N2O2"
+181.06401	28108	"Theoretical m/z 181.063452, Mass diff 0.001 (3.08 ppm), SMILES N#CC1=NC=C(N1)C2=CC=C(C=C2)C, Annotation [C11H9N3-2H]+, Rule of HR False"
+181.0856	50782	"Theoretical m/z 181.085614, Mass diff -0.001 (0 ppm), Formula C5H14ClN4O"
+181.10103	72555	"Theoretical m/z 181.097703, Mass diff -0.004 (0 ppm), Formula C9H13N2O2"
+185.09599	65187	"Theoretical m/z 185.09664, Mass diff 0 (0 ppm), Formula C13H13O"
+185.13236	21304
+189.06988	45771	"Theoretical m/z 189.069774, Mass diff -0.001 (0 ppm), Formula C7H13N2O2S"
+191.00096	26266	"Theoretical m/z 191.001215, Mass diff 0 (0 ppm), Formula C9H4ClN2O"
+191.17926	30623
+192.09311	33802
+195.04706	62914	"Theoretical m/z 195.044604, Mass diff -0.003 (0 ppm), Formula C13H7O2"
+195.08011	21798
+199.04224	161760	"Theoretical m/z 199.042035, Mass diff -0.001 (0 ppm), Formula C4H12ClN4OS"
+200.04561	24380
+205.19524	31504
+210.99072	34650
+211.07527	27111	"Theoretical m/z 211.075049, Mass diff -0.001 (0 ppm), Formula C9H12ClN4"
+212.08301	50252	"Theoretical m/z 212.082387, Mass diff -0.001 (0 ppm), Formula C12H10N3O"
+214.09418	27395	"Theoretical m/z 214.098037, Mass diff 0.003 (0 ppm), Formula C12H12N3O"
+214.99512	20626	"Theoretical m/z 214.993353, Mass diff -0.002 (0 ppm), Formula C9H8ClO2S"
+216.0323	127328	"Theoretical m/z 216.032306, Mass diff 0 (0.03 ppm), SMILES N#CC1=NC(=C(N1)C2=CC=C(C=C2)C)Cl, Annotation [C11H8ClN3-H]+, Rule of HR True"
+217.04033	283370	"Theoretical m/z 217.040131, Mass diff 0 (0.92 ppm), SMILES N#CC1=NC(=C(N1)C2=CC=C(C=C2)C)Cl, Annotation [C11H8ClN3]+, Rule of HR False"
+217.19499	23481
+218.0293	271966	"Theoretical m/z 218.027574, Mass diff -0.002 (0 ppm), Formula C11H8NO2S"
+219.03726	79008
+219.13796	22666
+223.0972	45096	"Theoretical m/z 223.098371, Mass diff 0.001 (0 ppm), Formula C13H11N4"
+223.13254	31991
+227.07349	135972	"Theoretical m/z 227.069964, Mass diff -0.004 (0 ppm), Formula C9H12ClN4O"
+241.08882	35006	"Theoretical m/z 241.085614, Mass diff -0.004 (0 ppm), Formula C10H14ClN4O"
+255.12271	33345
+324.04407	507207	"Theoretical m/z 324.044221, Mass diff 0 (0.47 ppm), SMILES N#CC2=NC(=C(C1=CC=C(C=C1)C)N2S(=O)(=O)N(C)C)Cl, Annotation [C13H13ClN4O2S]+, Rule of HR False"
+341.01776	29535
+342.01791	27852
+355.06961	31833
+415.03693	20381
+429.08835	22286
+
+NAME: Ethiprole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2434.5
+PRECURSORMZ: 395.79877
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H9Cl2F3N4OS
+INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 268
+67.05418	8251	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+69.03342	17402	"Theoretical m/z 69.033493, Mass diff 0 (-1.06 ppm), SMILES CC(=C)C#[O+], Annotation [C4H5O]+, Rule of HR True"
+75.02291	36378	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+77.03853	78164	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04638	17703	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.04977	5693
+80.06197	10146	"Theoretical m/z 80.0626, Mass diff 0 (0 ppm), Formula C6H8"
+85.02835	11226
+88.05182	24016	"Theoretical m/z 88.051087, Mass diff -0.001 (0 ppm), Formula C2H6N3O"
+89.03852	24315	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+92.06199	13834	"Theoretical m/z 92.0626, Mass diff 0 (0 ppm), Formula C7H8"
+93.06987	27387	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+93.94124	8717
+94.07764	26848	"Theoretical m/z 94.078051, Mass diff 0 (0 ppm), Formula C2H9FN3"
+95.0491	16742	"Theoretical m/z 95.049141, Mass diff 0 (-0.43 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+96.05685	16645
+96.09328	12804
+97.06475	21584	"Theoretical m/z 97.064789, Mass diff 0 (-0.4 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+98.03619	34828	"Theoretical m/z 98.035437, Mass diff -0.001 (0 ppm), Formula C3H4N3O"
+99.04399	11154	"Theoretical m/z 99.04216, Mass diff -0.002 (0 ppm), Formula C3H6F3"
+99.9823	5766
+100.05171	16567	"Theoretical m/z 100.051087, Mass diff -0.001 (0 ppm), Formula C3H6N3O"
+100.12007	9856
+105.06985	31159	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.04909	17709	"Theoretical m/z 107.049141, Mass diff 0 (-0.48 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.0113	68506	"Theoretical m/z 108.00948, Mass diff -0.002 (0 ppm), Formula H5F3NS"
+108.09325	16361
+109.02848	8606
+109.06481	9484	"Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O"
+110.03622	18730	"Theoretical m/z 110.035437, Mass diff -0.001 (0 ppm), Formula C4H4N3O"
+110.10894	16923
+112.05177	16815	"Theoretical m/z 112.051087, Mass diff -0.001 (0 ppm), Formula C4H6N3O"
+114.06749	43337	"Theoretical m/z 114.066737, Mass diff -0.001 (0 ppm), Formula C4H8N3O"
+114.53461	5719
+115.03888	12526	"Theoretical m/z 115.039303, Mass diff 0 (0 ppm), Formula C3H9F2S"
+115.05416	24575	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06194	17331	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+118.99783	10528	"Theoretical m/z 118.996689, Mass diff -0.002 (0 ppm), Formula C4H4FOS"
+120.05692	7537	"Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O"
+121.06469	7929	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+123.04389	5804	"Theoretical m/z 123.043749, Mass diff -0.001 (0 ppm), Formula C2H8ClN4"
+123.11668	21205
+124.07568	9974	"Theoretical m/z 124.076239, Mass diff 0 (0 ppm), Formula C7H10NO"
+124.12453	13749
+126.03115	7884
+127.05401	32892	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06192	34718	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+130.07761	37721	"Theoretical m/z 130.078051, Mass diff 0 (0 ppm), Formula C5H9FN3"
+132.09325	39481
+134.0361	23094	"Theoretical m/z 134.037267, Mass diff 0.001 (0 ppm), Formula C5H9ClNO"
+134.07246	32099	"Theoretical m/z 134.072965, Mass diff 0 (0 ppm), Formula C4H9FN3O"
+134.9926	10758	"Theoretical m/z 134.993685, Mass diff 0.001 (0 ppm), Formula CH3ClF3N2"
+136.08371	8576
+137.04169	16548	"Theoretical m/z 137.042496, Mass diff 0 (0 ppm), Formula C8H9S"
+137.13237	39172
+139.03882	10973	"Theoretical m/z 139.039303, Mass diff 0 (0 ppm), Formula C5H9F2S"
+139.05406	17928	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.0752	16400	"Theoretical m/z 139.07346, Mass diff -0.002 (0 ppm), Formula C6H10F3"
+139.14801	16844
+140.06166	14567	"Theoretical m/z 140.0624, Mass diff 0 (0 ppm), Formula C6H7FN3"
+141.06975	21894	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+143.01015	33076	"Theoretical m/z 143.01086, Mass diff 0 (0 ppm), Formula C7H2F3"
+143.08546	21197
+146.93822	5065	"Theoretical m/z 146.940445, Mass diff 0.002 (0 ppm), Formula C5HCl2O"
+147.08031	18727
+148.12456	11841
+149.02324	56941	"Theoretical m/z 149.023653, Mass diff 0 (0 ppm), Formula C6H7F2S"
+149.13238	56365
+150.06749	24260
+150.10379	14808
+152.06197	26659	"Theoretical m/z 152.0624, Mass diff 0 (0 ppm), Formula C7H7FN3"
+153.06972	18588	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+155.06023	64218	"Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2"
+155.97936	13371	"Theoretical m/z 155.979849, Mass diff 0 (0 ppm), Formula C2H4ClFN3S"
+156.09329	13530
+156.96846	36715	"Theoretical m/z 156.96903, Mass diff 0 (0 ppm), Formula C4H4ClF2S"
+157.10106	34565
+159.08028	18398
+162.14023	19695
+163.14796	39454
+164.02594	5439	"Theoretical m/z 164.026702, Mass diff 0 (0 ppm), Formula C9H7ClN"
+164.15599	14829
+164.94885	8132	"Theoretical m/z 164.950106, Mass diff 0.001 (0 ppm), Formula CHClF3N2S"
+166.02309	12321	"Theoretical m/z 166.023508, Mass diff 0 (0 ppm), Formula C6H7ClF2N"
+166.07764	5619	"Theoretical m/z 166.078051, Mass diff 0 (0 ppm), Formula C8H9FN3"
+166.16708	5279
+167.0854	29937
+169.06473	10308	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+169.19496	10286
+170.07246	18951	"Theoretical m/z 170.072965, Mass diff 0 (0 ppm), Formula C7H9FN3O"
+172.08806	6244	"Theoretical m/z 172.087472, Mass diff -0.001 (0 ppm), Formula C10H10N3"
+173.09592	19037
+174.02461	22540	"Theoretical m/z 174.024571, Mass diff -0.001 (0 ppm), Formula C3H7ClF2N3O"
+174.06746	14406
+174.10382	10168
+175.07527	16660	"Theoretical m/z 175.07346, Mass diff -0.002 (0 ppm), Formula C9H10F3"
+175.14809	37589
+176.15587	13358
+177.16364	8936
+177.97896	52324	"Theoretical m/z 177.979163, Mass diff 0 (1.14 ppm), SMILES FC(F)(F)C=1C=CC=C(C=1)Cl, Annotation [C7H4ClF3-2H]+, Rule of HR False"
+178.96464	5710	"Theoretical m/z 178.965756, Mass diff 0.001 (0 ppm), Formula C2H3ClF3N2S"
+179.03384	15450	"Theoretical m/z 179.034217, Mass diff 0 (0 ppm), Formula C7H9F2OS"
+179.08533	19592
+179.17928	14629
+180.07742	20150	"Theoretical m/z 180.074857, Mass diff -0.003 (0 ppm), Formula C6H9F3N3"
+180.09318	15418
+180.18265	6926
+180.4794	7547
+180.95323	6871	"Theoretical m/z 180.954713, Mass diff 0.001 (0 ppm), Formula C2H2Cl2F3N2"
+181.08574	18666	"Theoretical m/z 181.08895, Mass diff 0.003 (0 ppm), Formula C8H10FN4"
+181.19476	8153
+182.07149	22910	"Theoretical m/z 182.071822, Mass diff 0 (0 ppm), Formula C11H8N3"
+183.06795	5529	"Theoretical m/z 183.068214, Mass diff 0 (0 ppm), Formula C7H8FN4O"
+183.08029	27543
+184.08815	10061	"Theoretical m/z 184.087472, Mass diff -0.001 (0 ppm), Formula C11H10N3"
+185.02661	22414	"Theoretical m/z 185.027492, Mass diff 0 (0 ppm), Formula C6H3F2N4O"
+185.09598	32856
+186.0074	13199	"Theoretical m/z 186.007956, Mass diff 0 (0 ppm), Formula CH8ClF3N3S"
+186.09935	14324
+189.06981	11576	"Theoretical m/z 189.071568, Mass diff 0.001 (0 ppm), Formula C12H10FO"
+189.16365	23566
+191.17926	24243
+191.48015	11399
+191.98204	30763	"Theoretical m/z 191.982232, Mass diff 0 (1 ppm), SMILES FC(F)(F)C=1C=CC(N)=C(C=1)Cl, Annotation [C7H5ClF3N-3H]+, Rule of HR True"
+193.19507	12843
+193.97964	15046	"Theoretical m/z 193.979752, Mass diff 0 (0 ppm), Formula C12HClN"
+195.04723	13025	"Theoretical m/z 195.048228, Mass diff 0 (0 ppm), Formula C8H5F2N4"
+195.08012	18293
+196.12466	19639
+196.98491	13065	"Theoretical m/z 196.986013, Mass diff 0.001 (0 ppm), Formula C3H6Cl2F3N2"
+197.09586	5694
+198.10362	12832
+200.10394	9185
+201.03508	20126	"Theoretical m/z 201.03547, Mass diff 0 (0 ppm), Formula C4H8ClF2N4O"
+201.09085	9123
+201.16367	6199
+203.98238	8865	"Theoretical m/z 203.982238, Mass diff 0 (0.7 ppm), SMILES FC(F)(F)C=1C=CC(NC)=C(C=1)Cl, Annotation [C8H7ClF3N-5H]+, Rule of HR True"
+205.47783	10370
+205.9794	14342	"Theoretical m/z 205.979752, Mass diff 0 (0 ppm), Formula C13HClN"
+209.08073	17976	"Theoretical m/z 209.082721, Mass diff 0.001 (0 ppm), Formula C12H9N4"
+209.13245	7875
+209.22617	6387
+210.10358	15653
+210.99071	11001	"Theoretical m/z 210.990828, Mass diff 0 (0 ppm), Formula C6H6ClF2N2S"
+212.08308	22801	"Theoretical m/z 212.082387, Mass diff -0.001 (0 ppm), Formula C12H10N3O"
+212.94784	141265	"Theoretical m/z 212.948017, Mass diff 0 (0.83 ppm), SMILES FC(F)(F)C1=CC(=CC(=C1)Cl)Cl, Annotation [C7H3Cl2F3-H]+, Rule of HR True"
+214.94481	112472	"Theoretical m/z 214.94553, Mass diff 0 (0 ppm), Formula C12HCl2"
+215.94792	6780
+216.94215	11851
+217.19514	15494
+218.02919	8369	"Theoretical m/z 218.029656, Mass diff 0 (0 ppm), Formula C8H7ClF2N3"
+220.04002	15624	"Theoretical m/z 220.04078, Mass diff 0 (0 ppm), Formula C9H9F3NS"
+220.12445	10841
+221.15289	12257
+223.13278	6041
+225.04279	34269
+225.11324	20629
+226.99532	16833	"Theoretical m/z 226.994886, Mass diff 0 (1.91 ppm), SMILES FC(F)C1=CC(=C(NN)C(=C1)Cl)Cl, Annotation [C7H6Cl2F2N2+H]+, Rule of HR True"
+227.12775	9056
+227.17941	5917
+227.95874	65902	"Theoretical m/z 227.958912, Mass diff 0 (0.75 ppm), SMILES FC(F)(F)C1=CC(=C(N)C(=C1)Cl)Cl, Annotation [C7H4Cl2F3N-H]+, Rule of HR True"
+228.09311	14137
+229.95586	40288	"Theoretical m/z 229.956429, Mass diff 0 (0 ppm), Formula C12H2Cl2N"
+230.13007	14369
+230.20316	12656
+230.93016	14276	"Theoretical m/z 230.93104, Mass diff 0 (0 ppm), Formula C3H2Cl2FN4OS"
+233.15356	13385
+234.08873	21180	"Theoretical m/z 234.084279, Mass diff -0.005 (0 ppm), Formula C12H10F2N3"
+235.0964	7907
+236.08307	8524
+238.09848	12764
+239.08525	9559
+240.11415	6509
+240.95404	47887	"Theoretical m/z 240.954172, Mass diff 0 (0.55 ppm), SMILES FC(F)(F)C1=CC(=C(NN)C(=C1)Cl)Cl, Annotation [C7H5Cl2F3N2-3H]+, Rule of HR True"
+241.089	12343	"Theoretical m/z 241.08895, Mass diff -0.001 (0 ppm), Formula C13H10FN4"
+241.19461	5302
+242.01894	10477	"Theoretical m/z 242.019964, Mass diff 0 (0 ppm), Formula C9H6F2N3OS"
+242.9514	26728	"Theoretical m/z 242.951678, Mass diff 0 (0 ppm), Formula C12HCl2N2"
+245.00656	6154	"Theoretical m/z 245.007506, Mass diff 0 (0 ppm), Formula C11F3N4"
+248.98863	8799	"Theoretical m/z 248.988936, Mass diff 0 (0 ppm), Formula C11H6ClN2OS"
+249.98798	6779
+252.96419	8271
+254.96953	117947	"Theoretical m/z 254.969812, Mass diff 0 (1.11 ppm), SMILES FC(F)(F)C1=CC(=C(NCN)C(=C1)Cl)Cl, Annotation [C8H7Cl2F3N2-3H]+, Rule of HR True"
+255.12251	7095
+255.9252	14483	"Theoretical m/z 255.920221, Mass diff -0.006 (0 ppm), Formula C7H2Cl2F2NOS"
+256.9667	73188	"Theoretical m/z 256.967328, Mass diff 0 (0 ppm), Formula C13H3Cl2N2"
+258.12503	11525
+258.96399	10241
+262.13477	8431
+262.96524	24757	"Theoretical m/z 262.965756, Mass diff 0 (0 ppm), Formula C9H3ClF3N2S"
+265.01968	21852	"Theoretical m/z 265.020237, Mass diff 0 (0 ppm), Formula C12H10ClN2OS"
+266.9989	13915	"Theoretical m/z 267.001583, Mass diff 0.002 (0 ppm), Formula C8H7Cl2F2N4"
+267.15839	5695
+268.05695	19740
+269.97833	7786
+271.24185	6069
+273.25738	15766
+276.28122	7082
+281.05102	14507
+281.17407	5387
+282.05014	7842
+283.24194	5694
+289.97601	40117	"Theoretical m/z 289.976655, Mass diff 0 (0 ppm), Formula C10H4ClF3N3S"
+290.29681	8170
+291.0669	29614
+291.30481	6004
+291.97293	11430
+292.07498	16999
+293.17426	5804
+299.06171	8419	"Theoretical m/z 299.057827, Mass diff -0.004 (0 ppm), Formula C12H10F3N4S"
+301.01419	29016	"Theoretical m/z 301.013769, Mass diff -0.001 (0 ppm), Formula C8H9ClF3N4OS"
+303.01135	10693	"Theoretical m/z 303.012007, Mass diff 0.001 (2.17 ppm), SMILES O=S(C1=CN(N=C1C)C2=C(C=CC=C2Cl)Cl)CC, Annotation [C12H12Cl2N2OS+H]+, Rule of HR True"
+304.31116	6187
+314.29718	14867
+314.97134	61315	"Theoretical m/z 314.971904, Mass diff 0 (0 ppm), Formula C11H3ClF3N4S"
+316.98697	68774	"Theoretical m/z 316.987554, Mass diff 0 (0 ppm), Formula C11H5ClF3N4S"
+318.05374	33849
+318.32812	23101
+318.98297	17041
+319.05713	11382
+323.86356	7073
+323.93741	5356	"Theoretical m/z 323.937683, Mass diff 0 (0 ppm), Formula C10H3Cl2F3N3S"
+324.98657	26952
+325.04703	7858
+326.04077	12746
+327.04462	8936
+328.96188	5581	"Theoretical m/z 328.963207, Mass diff 0.001 (4.04 ppm), SMILES N#CC1=NN(C=C1S(=O)C)C=2C=CC(=CC=2Cl)C(F)(F)F, Annotation [C12H7ClF3N3OS-4H]+, Rule of HR False"
+331.97388	15146
+332.99124	13839
+343.01477	13421
+344.34369	11228
+344.97595	14924
+346.35904	5398
+348.01459	11585
+348.95126	7209	"Theoretical m/z 348.952381, Mass diff 0.001 (3.21 ppm), SMILES N#CC1=NN(C(N)=C1S=O)C2=C(C=C(C=C2Cl)C(F)F)Cl, Annotation [C11H6Cl2F2N4OS-H]+, Rule of HR True"
+350.94784	78527	"Theoretical m/z 350.949363, Mass diff 0.002 (4.34 ppm), SMILES O=S(C(=CNC1=C(C=C(C=C1Cl)C(F)(F)F)Cl)CC)CC, Annotation [C13H14Cl2F3NOS-8H]+, Rule of HR False"
+351.9556	130410	"Theoretical m/z 351.957188, Mass diff 0.002 (4.51 ppm), SMILES O=S(C(=CNC1=C(C=C(C=C1Cl)C(F)(F)F)Cl)CC)CC, Annotation [C13H14Cl2F3NOS-7H]+, Rule of HR True"
+352.94449	70746
+353.95276	68200
+355.06955	19875
+355.94995	17639
+366.94287	503779	"Theoretical m/z 366.942951, Mass diff 0 (0.22 ppm), SMILES N#CC1=NN(C(N)=C1S=O)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl, Annotation [C11H5Cl2F3N4OS-H]+, Rule of HR True"
+367.95023	107553
+368.93976	306247
+369.94724	60288
+370.93658	67303
+374.94784	13049	"Theoretical m/z 374.948582, Mass diff 0 (0 ppm), Formula C13H4Cl2F3N4S"
+375.03299	8405
+379.987	73639
+380.9902	9782
+381.98355	74322
+382.97382	8376	"Theoretical m/z 382.974256, Mass diff 0 (1.14 ppm), SMILES N#CC1=NN(C(N)=C1S(=O)C)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl, Annotation [C12H7Cl2F3N4OS+H]+, Rule of HR True"
+387.04834	18275
+388.96353	6253
+391.96817	9891
+393.80261	5670
+393.95337	15791
+395.79877	5074
+400.98456	16383
+404.05106	8681
+405.05951	37246
+406.06262	6070
+417.97055	5182
+461.96039	20288
+511.957	14056
+512.94397	30264
+513.95032	8412
+593.14746	5786
+
+NAME: Pyridaben
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2723.8
+PRECURSORMZ: 364.13681
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H25ClN2OS
+INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 26
+91.05423	15805347	"Theoretical m/z 91.054226, Mass diff 0 (0.05 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+104.06203	3091632	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06988	32289046	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+106.07323	2759501
+107.0855	3402150	"Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11"
+115.05421	12360427	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06203	4112411	"Theoretical m/z 116.062054, Mass diff 0 (0.21 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.06982	35381592	"Theoretical m/z 117.069879, Mass diff 0 (0.5 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+118.07314	3237754
+119.0855	40019084	"Theoretical m/z 119.085529, Mass diff 0 (0.24 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-H]+, Rule of HR True"
+120.08884	3391971
+128.06198	2307975	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06978	2457736	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.08551	10867861	"Theoretical m/z 131.085519, Mass diff 0 (0.07 ppm), SMILES C=1C=C(C=CC=1C)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+132.09331	16957646	"Theoretical m/z 132.093344, Mass diff 0 (0.26 ppm), SMILES C1=CC=C(C=C1)C(C)(C)C, Annotation [C10H14-2H]+, Rule of HR False"
+133.09668	2190573
+145.1012	4439682	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+147.11674	201206656	"Theoretical m/z 147.116825, Mass diff 0 (0.58 ppm), SMILES C=1C=C(C=CC=1C)C(C)(C)C, Annotation [C11H16-H]+, Rule of HR True"
+148.11998	22855752
+217.01971	5143012	"Theoretical m/z 217.019687, Mass diff 0 (0.1 ppm), SMILES O=C1C(=C(C=NN1C(C)C)SC)Cl, Annotation [C8H11ClN2OS-H]+, Rule of HR True"
+308.07434	6999645
+309.08221	30285038	"Theoretical m/z 309.082289, Mass diff 0 (0.25 ppm), SMILES O=C1NN=CC(=C1Cl)SCC2=CC=C(C=C2)C(C)(C)C, Annotation [C15H17ClN2OS+H]+, Rule of HR True"
+310.08536	7027391
+311.07904	10965325
+364.13681	6205225	"Theoretical m/z 364.137055, Mass diff 0 (0.67 ppm), SMILES O=C1C(=C(C=NN1C(C)(C)C)SCC2=CC=C(C=C2)C(C)(C)C)Cl, Annotation [C19H25ClN2OS]+, Rule of HR False"
+366.13388	2148228
+
+NAME: Thiabendazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2074.2
+PRECURSORMZ: 201.03538
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H7N3S
+INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT:  
+Num Peaks: 26
+83.99023	286339	"Theoretical m/z 83.990245, Mass diff 0 (0.18 ppm), SMILES N=1C=CSC=1, Annotation [C3H3NS-H]+, Rule of HR True"
+85.10114	313117
+90.03381	783227	"Theoretical m/z 90.033822, Mass diff 0 (0.14 ppm), SMILES NC=1C=CC=CC=1, Annotation [C6H7N-3H]+, Rule of HR True"
+91.05419	405700	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.062	289787
+103.05416	890463	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+111.00108	451105	"Theoretical m/z 111.001148, Mass diff 0 (0.61 ppm), SMILES N=CC=1N=CSC=1, Annotation [C4H4N2S-H]+, Rule of HR True"
+120.00273	260949
+129.04462	1976297	"Theoretical m/z 129.044717, Mass diff 0 (0.75 ppm), SMILES N=1C2=CC=CC=C2(NC=1C), Annotation [C8H8N2-3H]+, Rule of HR True"
+130.05249	3026370
+131.08543	250161
+134.00577	249516	"Theoretical m/z 134.006445, Mass diff 0 (0 ppm), Formula C7H4NS"
+142.05249	568322
+143.08545	439695
+146.00581	546244	"Theoretical m/z 146.006445, Mass diff 0 (0 ppm), Formula C8H4NS"
+147.01358	395850
+147.08031	407355
+156.05543	247921	"Theoretical m/z 156.055627, Mass diff 0 (1.26 ppm), SMILES N(=C)CC1=NC2=CC=CC=C2(N1), Annotation [C9H9N3-3H]+, Rule of HR True"
+173.01685	1079083	"Theoretical m/z 173.016794, Mass diff 0 (0.33 ppm), SMILES N1=C(C=CS)NC2=CC=CC=C12, Annotation [C9H8N2S-3H]+, Rule of HR True"
+174.02457	24686134
+175.02783	2623701
+176.02028	1179335
+200.02763	478625	"Theoretical m/z 200.028243, Mass diff 0 (0 ppm), Formula C10H6N3S"
+201.03538	22162788	"Theoretical m/z 201.035523, Mass diff 0 (0.71 ppm), SMILES N1=CSC=C1C2=NC3=CC=CC=C3(N2), Annotation [C10H7N3S]+, Rule of HR False"
+202.03867	2508878
+203.03108	1102010
+
+NAME: Tricyclazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2214.6
+PRECURSORMZ: 189.0354
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C9H7N3S
+INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=C2C(=CC=C1)SC3=NN=CN23
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 38
+68.97929	132151	"Theoretical m/z 68.979896, Mass diff 0 (0 ppm), Formula C3HS"
+77.03853	166212	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04639	143880	"Theoretical m/z 78.046403, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+81.98711	116148
+84.00279	162648
+89.03853	225323	"Theoretical m/z 89.038575, Mass diff 0 (0.51 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.03382	193373	"Theoretical m/z 90.034374, Mass diff 0 (0 ppm), Formula C6H4N"
+92.062	342648
+94.99494	128163	"Theoretical m/z 94.995546, Mass diff 0 (0 ppm), Formula C5H3S"
+95.0491	136932
+103.05415	133537	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+108.00272	206245
+109.01059	392284	"Theoretical m/z 109.010646, Mass diff 0 (0.52 ppm), SMILES C=1C=CC(=CC=1)S, Annotation [C6H6S-H]+, Rule of HR True"
+118.05244	1260426	"Theoretical m/z 118.053098, Mass diff 0 (0 ppm), Formula C7H6N2"
+119.99023	155623	"Theoretical m/z 119.990795, Mass diff 0 (0 ppm), Formula C6H2NS"
+121.01054	536411	"Theoretical m/z 121.010644, Mass diff 0 (0.86 ppm), SMILES C1=CC(=CC(=C1)S)C, Annotation [C7H8S-3H]+, Rule of HR True"
+121.0647	372590
+122.00577	325165	"Theoretical m/z 122.006445, Mass diff 0 (0 ppm), Formula C6H4NS"
+131.07291	275310
+131.08545	207716
+132.08073	131971
+134.00577	489349	"Theoretical m/z 134.005899, Mass diff 0 (0.96 ppm), SMILES C1=CC=C2C(=C1)NCS2, Annotation [C7H7NS-3H]+, Rule of HR True"
+135.01358	2071023
+136.02147	410656	"Theoretical m/z 136.021549, Mass diff 0 (0.58 ppm), SMILES C1=CC=C2C(=C1)NCS2, Annotation [C7H7NS-H]+, Rule of HR True"
+137.00943	179777
+147.00099	490442	"Theoretical m/z 147.001138, Mass diff 0 (1.01 ppm), SMILES N=C2NC1=CC=CC=C1S2, Annotation [C7H6N2S-3H]+, Rule of HR True"
+161.01671	5690436	"Theoretical m/z 161.016794, Mass diff 0 (0.52 ppm), SMILES N=C2NC1=C(C=CC=C1S2)C, Annotation [C8H8N2S-3H]+, Rule of HR True"
+162.02444	3856141
+163.0124	253311
+163.0278	508972
+164.02029	272237
+180.03508	1148344
+189.0354	11099582	"Theoretical m/z 189.035523, Mass diff 0 (0.65 ppm), SMILES N=1N=C3N(C=1)C2=C(C=CC=C2S3)C, Annotation [C9H7N3S]+, Rule of HR False"
+190.03871	1110574
+191.03117	498743
+221.08437	118639
+225.04279	116388
+429.08874	158445
+
+NAME: Simetryn
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1890.9
+PRECURSORMZ: 213.104
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C8H15N5S
+INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCNC1=NC(=NC(=N1)SC)NCC
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 50
+68.02428	5301770	"Theoretical m/z 68.024322, Mass diff 0 (0.61 ppm), SMILES N=C(N)NC, Annotation [C2H7N3-5H]+, Rule of HR True"
+69.04464	1326294	"Theoretical m/z 69.044725, Mass diff 0 (1.23 ppm), SMILES N=CNCC, Annotation [C3H8N2-3H]+, Rule of HR True"
+71.0603	1538445	"Theoretical m/z 71.060375, Mass diff 0 (1.05 ppm), SMILES N=CNCC, Annotation [C3H8N2-H]+, Rule of HR True"
+74.00583	1437002	"Theoretical m/z 74.005893, Mass diff 0 (0.86 ppm), SMILES N=CSC, Annotation [C2H5NS-H]+, Rule of HR True"
+84.98544	2908110	"Theoretical m/z 84.986044, Mass diff 0 (0 ppm), Formula C2HN2S"
+91.52832	1749181
+93.01952	1264586	"Theoretical m/z 93.020121, Mass diff 0 (0 ppm), Formula C3HN4"
+96.05552	7523309	"Theoretical m/z 96.05562, Mass diff 0 (1.04 ppm), SMILES N=C(N=C)NCC, Annotation [C4H9N3-3H]+, Rule of HR True"
+97.06334	1806246
+99.00104	1700794	"Theoretical m/z 99.001146, Mass diff 0 (1.07 ppm), SMILES N=CN=CSC, Annotation [C3H6N2S-3H]+, Rule of HR True"
+100.00885	1178503
+103.03235	3063134	"Theoretical m/z 103.032446, Mass diff 0 (0.93 ppm), SMILES N=CN=CSC, Annotation [C3H6N2S+H]+, Rule of HR True"
+111.06641	4029178	"Theoretical m/z 111.066522, Mass diff 0 (1.01 ppm), SMILES N=C(N=CN)NCC, Annotation [C4H10N4-3H]+, Rule of HR True"
+113.01662	1213284	"Theoretical m/z 113.016791, Mass diff 0 (1.52 ppm), SMILES N(=CS)CNCC, Annotation [C4H10N2S-5H]+, Rule of HR True"
+115.05412	845794
+122.07105	1383820	"Theoretical m/z 122.071822, Mass diff 0 (0 ppm), Formula C6H8N3"
+123.06634	3063608	"Theoretical m/z 123.066524, Mass diff 0 (1.5 ppm), SMILES N=1C=NC(=NC=1)NCC, Annotation [C5H8N4-H]+, Rule of HR True"
+124.08672	1066547	"Theoretical m/z 124.087472, Mass diff 0 (0 ppm), Formula C6H10N3"
+128.02753	3319334	"Theoretical m/z 128.027693, Mass diff 0 (1.27 ppm), SMILES N=1C=NC(=NC=1)SC, Annotation [C4H5N3S+H]+, Rule of HR True"
+137.08205	3039108	"Theoretical m/z 137.082721, Mass diff 0 (0 ppm), Formula C6H9N4"
+138.07727	6431748	"Theoretical m/z 138.077427, Mass diff 0 (1.13 ppm), SMILES N1=CN=C(N=C1N)NCC, Annotation [C5H9N5-H]+, Rule of HR True"
+139.08507	2567809
+140.0929	1579200	"Theoretical m/z 140.093077, Mass diff 0 (1.26 ppm), SMILES N1=CN=C(N=C1N)NCC, Annotation [C5H9N5+H]+, Rule of HR True"
+142.03067	1518133
+149.08202	1086193	"Theoretical m/z 149.082721, Mass diff 0 (0 ppm), Formula C7H9N4"
+152.09294	5008555	"Theoretical m/z 152.093067, Mass diff 0 (0.83 ppm), SMILES N1=CN=C(N=C1NC)NCC, Annotation [C6H11N5-H]+, Rule of HR True"
+153.0963	877431
+155.03839	22592358	"Theoretical m/z 155.038593, Mass diff 0 (1.31 ppm), SMILES N1=CN=C(N=C1NCC)S, Annotation [C5H8N4S-H]+, Rule of HR True"
+156.03352	2989869	"Theoretical m/z 156.033847, Mass diff 0 (2.1 ppm), SMILES N=1C(=NC(=NC=1N)SC)N, Annotation [C4H7N5S-H]+, Rule of HR True"
+157.0415	2777219
+166.10864	1246894	"Theoretical m/z 166.108722, Mass diff 0 (0.5 ppm), SMILES N=1C=NC(=NC=1NCC)NCC, Annotation [C7H13N5-H]+, Rule of HR True"
+167.11642	4123798
+170.04933	23396956	"Theoretical m/z 170.049488, Mass diff 0 (0.93 ppm), SMILES N1=C(N=C(N=C1NCC)S)N, Annotation [C5H9N5S-H]+, Rule of HR True"
+171.05255	2236695
+171.06961	1136092	"Theoretical m/z 171.069899, Mass diff 0 (1.69 ppm), SMILES N1=CN=C(N=C1NCC)SC, Annotation [C6H10N4S+H]+, Rule of HR True"
+172.0451	1037854
+175.1116	1430070
+177.09084	1533774
+180.12419	3837925	"Theoretical m/z 180.12492, Mass diff 0 (0 ppm), Formula C8H14N5"
+185.07282	11778116
+186.07616	809268
+189.12718	1546306
+196.07754	1672238
+198.08061	12631119	"Theoretical m/z 198.080783, Mass diff 0 (0.88 ppm), SMILES N=1C(=NC(=NC=1NCC)S)NCC, Annotation [C7H13N5S-H]+, Rule of HR True"
+205.08585	2464707
+212.09633	7568302	"Theoretical m/z 212.096991, Mass diff 0 (0 ppm), Formula C8H14N5S"
+213.10403	80881376	"Theoretical m/z 213.104264, Mass diff 0 (1.1 ppm), SMILES N=1C(=NC(=NC=1NCC)SC)NCC, Annotation [C8H15N5S]+, Rule of HR False"
+214.10725	8063588
+215.09985	3856621
+217.15849	1351020
+
+NAME: Sulfentrazone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2507.8
+PRECURSORMZ: 385.98114
+PRECURSORTYPE: [M-CH3]+.
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H10Cl2F2N4O3S
+INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 115
+71.08549	557891	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+74.00361	467181	"Theoretical m/z 74.003671, Mass diff 0 (0.82 ppm), SMILES O=CNCF, Annotation [C2H4FNO-3H]+, Rule of HR True"
+75.01029	375950
+76.01815	814341
+78.9848	306842	"Theoretical m/z 78.984829, Mass diff 0 (0.36 ppm), SMILES O=S(=O)C, Annotation [CH4O2S-H]+, Rule of HR True"
+84.98387	344800	"Theoretical m/z 84.984503, Mass diff 0 (0 ppm), Formula C4H2Cl"
+85.10115	815174
+85.97912	381334	"Theoretical m/z 85.979752, Mass diff 0 (0 ppm), Formula C3HClN"
+88.0181	527646	"Theoretical m/z 88.018724, Mass diff 0 (0 ppm), Formula C6H2N"
+92.03059	1192734	"Theoretical m/z 92.030633, Mass diff 0 (0.47 ppm), SMILES FC(F)NCC, Annotation [C3H7F2N-3H]+, Rule of HR True"
+96.98393	821851	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+97.97919	304365	"Theoretical m/z 97.979752, Mass diff 0 (0 ppm), Formula C4HClN"
+98.98082	278786
+99.11675	237546
+101.0134	1694055	"Theoretical m/z 101.013973, Mass diff 0 (0 ppm), Formula C6HN2"
+103.02903	1113800	"Theoretical m/z 103.029623, Mass diff 0 (0 ppm), Formula C6H3N2"
+106.94493	390109	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+108.94192	257934
+109.97916	4839002	"Theoretical m/z 109.979752, Mass diff 0 (0 ppm), Formula C5HClN"
+110.98692	699361	"Theoretical m/z 110.987377, Mass diff 0 (0 ppm), Formula HClFN4"
+111.97617	1977182	"Theoretical m/z 111.976558, Mass diff 0 (0 ppm), Formula C2HClF2N"
+112.98998	978263	"Theoretical m/z 112.990651, Mass diff 0 (0 ppm), Formula C4H2ClN2"
+114.03377	250977	"Theoretical m/z 114.034374, Mass diff 0 (0 ppm), Formula C8H4N"
+114.0675	251516	"Theoretical m/z 114.06808, Mass diff 0 (0 ppm), Formula C6H10O2"
+114.98707	260878
+118.94502	297177	"Theoretical m/z 118.94553, Mass diff 0 (0 ppm), Formula C4HCl2"
+122.99956	234495	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+123.99484	1358908	"Theoretical m/z 123.995402, Mass diff 0 (0 ppm), Formula C6H3ClN"
+125.99178	691132	"Theoretical m/z 125.992208, Mass diff 0 (0 ppm), Formula C3H3ClF2N"
+125.99784	256749	"Theoretical m/z 125.997989, Mass diff 0 (0 ppm), Formula C8NO"
+127.98965	659915	"Theoretical m/z 127.990316, Mass diff 0 (0 ppm), Formula C5H3ClNO"
+133.95581	271801	"Theoretical m/z 133.956429, Mass diff 0 (0 ppm), Formula C4H2Cl2N"
+136.99004	4692307	"Theoretical m/z 136.990651, Mass diff 0 (0 ppm), Formula C6H2ClN2"
+137.99785	840082	"Theoretical m/z 137.997989, Mass diff 0 (0 ppm), Formula C9NO"
+138.98704	2299269	"Theoretical m/z 138.987457, Mass diff 0 (0 ppm), Formula C3H2ClF2N2"
+139.0056	657030	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+139.99486	272110	"Theoretical m/z 139.994795, Mass diff -0.001 (0 ppm), Formula C6F2NO"
+145.10109	634058
+145.9558	7225264	"Theoretical m/z 145.956429, Mass diff 0 (0 ppm), Formula C5H2Cl2N"
+146.95914	443818
+147.95279	4636786	"Theoretical m/z 147.953236, Mass diff 0 (0 ppm), Formula C2H2Cl2F2N"
+148.95618	265820
+149.9499	717142
+155.00055	1507119	"Theoretical m/z 155.001215, Mass diff 0 (0 ppm), Formula C6H4ClN2O"
+156.99768	528836	"Theoretical m/z 156.99842, Mass diff 0 (0 ppm), Formula C4H2FN4S"
+157.95578	1403172	"Theoretical m/z 157.95588, Mass diff 0 (0.64 ppm), SMILES NC1=CC=C(C=C1Cl)Cl, Annotation [C6H5Cl2N-3H]+, Rule of HR True"
+158.96352	355881	"Theoretical m/z 158.963706, Mass diff 0 (1.17 ppm), SMILES NC1=CC=C(C=C1Cl)Cl, Annotation [C6H5Cl2N-2H]+, Rule of HR False"
+159.95282	1085888	"Theoretical m/z 159.953236, Mass diff 0 (0 ppm), Formula C3H2Cl2F2N"
+160.96675	545598	"Theoretical m/z 160.967328, Mass diff 0 (0 ppm), Formula C5H3Cl2N2"
+161.95	246596
+162.96384	250520	"Theoretical m/z 162.964135, Mass diff 0 (0 ppm), Formula C2H3Cl2F2N2"
+163.96631	1101126	"Theoretical m/z 163.966994, Mass diff 0 (0 ppm), Formula C5H4Cl2NO"
+164.98502	255610	"Theoretical m/z 164.985565, Mass diff 0 (0 ppm), Formula C7H2ClN2O"
+165.96341	699001	"Theoretical m/z 165.963801, Mass diff 0 (0 ppm), Formula C2H4Cl2F2NO"
+172.96674	2491820	"Theoretical m/z 172.966775, Mass diff 0 (0.2 ppm), SMILES NC=1C=C(N)C(=CC=1Cl)Cl, Annotation [C6H6Cl2N2-3H]+, Rule of HR True"
+173.95081	1595730	"Theoretical m/z 173.951344, Mass diff 0 (0 ppm), Formula C6H2Cl2NO"
+174.96374	1689243	"Theoretical m/z 174.964135, Mass diff 0 (0 ppm), Formula C3H3Cl2F2N2"
+175.94777	1120210	"Theoretical m/z 175.94815, Mass diff 0 (0 ppm), Formula C3H2Cl2F2NO"
+176.96092	248892
+178.01657	6155245	"Theoretical m/z 178.0172, Mass diff 0 (0 ppm), Formula C8H5ClN3"
+179.01999	646880
+180.01358	2114838	"Theoretical m/z 180.014006, Mass diff 0 (0 ppm), Formula C5H5ClF2N3"
+181.00362	628545	"Theoretical m/z 181.003802, Mass diff 0 (0 ppm), Formula C10HN2O2"
+182.01148	277548
+186.98238	5131920	"Theoretical m/z 186.982979, Mass diff 0 (0 ppm), Formula C7H5Cl2N2"
+187.98567	383368
+188.97934	3252378	"Theoretical m/z 188.979785, Mass diff 0 (0 ppm), Formula C4H5Cl2F2N2"
+189.9826	256943
+190.97633	587316
+198.94594	3046364	"Theoretical m/z 198.946044, Mass diff 0 (0.52 ppm), SMILES O=CNC=1C=C(N)C(=CC=1Cl)Cl, Annotation [C7H6Cl2N2O-5H]+, Rule of HR True"
+199.94919	241638
+200.94299	2398566	"Theoretical m/z 200.943399, Mass diff 0 (0 ppm), Formula C4HCl2F2N2O"
+202.93988	576414
+213.99322	1387255	"Theoretical m/z 213.993326, Mass diff 0 (0.49 ppm), SMILES N(=CC)NC=1C=C(N)C(=CC=1Cl)Cl, Annotation [C8H9Cl2N3-3H]+, Rule of HR True"
+215.99042	858295	"Theoretical m/z 215.990684, Mass diff 0 (0 ppm), Formula C5H6Cl2F2N3"
+216.98328	490816	"Theoretical m/z 216.983301, Mass diff 0 (0.09 ppm), SMILES O=S(=O)(NC=1C=CC(=C(N)C=1)Cl)C, Annotation [C7H9ClN2O2S-3H]+, Rule of HR True"
+221.02246	250865	"Theoretical m/z 221.023013, Mass diff 0 (0 ppm), Formula C9H6ClN4O"
+231.00066	346234	"Theoretical m/z 231.001583, Mass diff 0 (0 ppm), Formula C5H7Cl2F2N4"
+232.00847	530671	"Theoretical m/z 232.008921, Mass diff 0 (0 ppm), Formula C8H5ClF2N3O"
+245.96315	616764	"Theoretical m/z 245.96372, Mass diff 0 (0 ppm), Formula C8H3Cl2FN3O"
+247.96014	365032	"Theoretical m/z 247.961781, Mass diff 0.001 (0 ppm), Formula C11F2NO2S"
+251.95207	305997	"Theoretical m/z 251.952155, Mass diff 0 (0.34 ppm), SMILES O=S(=O)(NC1=CC(N)=C(C=C1Cl)Cl)C, Annotation [C7H8Cl2N2O2S-2H]+, Rule of HR False"
+256.99869	427981	"Theoretical m/z 256.999134, Mass diff 0 (1.73 ppm), SMILES O=C1NC(=NN1C=2C=C(N)C(=CC=2Cl)Cl)C, Annotation [C9H8Cl2N4O-H]+, Rule of HR True"
+258.99606	266725	"Theoretical m/z 258.996498, Mass diff 0 (0 ppm), Formula C6H7Cl2F2N4O"
+271.01907	4715930	"Theoretical m/z 271.019281, Mass diff 0 (0.78 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(N)C=CC=2Cl, Annotation [C10H9ClF2N4O-3H]+, Rule of HR True"
+272.02734	2959829
+273.03494	4099662	"Theoretical m/z 273.034931, Mass diff 0 (0.03 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(N)C=CC=2Cl, Annotation [C10H9ClF2N4O-H]+, Rule of HR True"
+274.02457	1122038	"Theoretical m/z 274.022857, Mass diff -0.002 (0 ppm), Formula C7H11ClF2N3O2S"
+275.03189	857777
+279.98496	4794666	"Theoretical m/z 279.98506, Mass diff 0 (0.36 ppm), SMILES O=C1N(N=CN1C(F)F)C=2C=CC(=CC=2Cl)Cl, Annotation [C9H5Cl2F2N3O+H]+, Rule of HR True"
+280.9888	427252
+281.98203	2874380
+283.979	478401
+286.98956	4326134	"Theoretical m/z 286.989709, Mass diff 0 (0.52 ppm), SMILES O=C1N(N=C(N1CF)C)C=2C=C(N)C(=CC=2Cl)Cl, Annotation [C10H9Cl2FN4O-3H]+, Rule of HR True"
+287.99268	405755
+288.98657	2908341	"Theoretical m/z 288.985933, Mass diff -0.001 (0 ppm), Formula C10H5Cl2F2N4"
+290.98346	467758
+306.99579	21881936	"Theoretical m/z 306.99596, Mass diff 0 (0.55 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(N)C(=CC=2Cl)Cl, Annotation [C10H8Cl2F2N4O-H]+, Rule of HR True"
+307.99905	2078694
+308.9928	14066273
+309.996	1381040
+310.98984	2206302
+351.0123	22597466	"Theoretical m/z 351.01247, Mass diff 0 (0.48 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(C=CC=2Cl)NS(=O)(=O)C, Annotation [C11H11ClF2N4O3S-H]+, Rule of HR True"
+352.01611	2520145
+353.009	7790466	"Theoretical m/z 353.001977, Mass diff -0.008 (0 ppm), Formula C11H9Cl2F2N4O3"
+354.01285	904334
+355.00388	267200
+366.98288	780087	"Theoretical m/z 366.982929, Mass diff 0 (0.13 ppm), SMILES O=C1N(N=C(N1CF)C)C=2C=C(NS(=O)(=O)C)C(=CC=2Cl)Cl, Annotation [C11H11Cl2FN4O3S-H]+, Rule of HR True"
+368.97964	505497	"Theoretical m/z 368.979133, Mass diff -0.001 (0 ppm), Formula C11H9Cl2F2N4O2S"
+385.98114	17642018
+386.98474	2038962
+387.978	11793421
+388.98175	1338176
+389.97461	2120071
+390.9787	239391
+
+NAME: Terbutryn
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1927.7
+PRECURSORMZ: 241.13538
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C10H19N5S
+INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCNC1=NC(=NC(=N1)SC)NC(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 49
+68.0243	4461782	"Theoretical m/z 68.024322, Mass diff 0 (0.32 ppm), SMILES N=C(N)NC, Annotation [C2H7N3-5H]+, Rule of HR True"
+74.00584	1426732	"Theoretical m/z 74.005893, Mass diff 0 (0.72 ppm), SMILES N=CSC, Annotation [C2H5NS-H]+, Rule of HR True"
+83.06033	3592268	"Theoretical m/z 83.060373, Mass diff 0 (0.51 ppm), SMILES N=CNC(C)C, Annotation [C4H10N2-3H]+, Rule of HR True"
+84.98545	2040934	"Theoretical m/z 84.986044, Mass diff 0 (0 ppm), Formula C2HN2S"
+93.01958	775791	"Theoretical m/z 93.020121, Mass diff 0 (0 ppm), Formula C3HN4"
+96.05557	4506557	"Theoretical m/z 96.05562, Mass diff 0 (0.52 ppm), SMILES N=C(N=C)NCC, Annotation [C4H9N3-3H]+, Rule of HR True"
+99.00108	1263502	"Theoretical m/z 99.001146, Mass diff 0 (0.66 ppm), SMILES N=CN=CSC, Annotation [C3H6N2S-3H]+, Rule of HR True"
+102.01202	1112117	"Theoretical m/z 102.012593, Mass diff 0 (0 ppm), Formula C2H4N3S"
+105.54403	1785861
+110.0461	807859	"Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5"
+111.05392	7212473
+112.07424	930284
+113.0557	1330194
+115.05418	790202	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.02765	1973695	"Theoretical m/z 116.027691, Mass diff 0 (0.35 ppm), SMILES N=C(N=CSC)N, Annotation [C3H7N3S-H]+, Rule of HR True"
+127.00722	1417881	"Theoretical m/z 127.007293, Mass diff 0 (0.57 ppm), SMILES N=C(N=C(N)SC)N, Annotation [C3H8N4S-5H]+, Rule of HR True"
+128.0276	2973641	"Theoretical m/z 128.027693, Mass diff 0 (0.72 ppm), SMILES N=1C=NC(=NC=1)SC, Annotation [C4H5N3S+H]+, Rule of HR True"
+131.0637	828445	"Theoretical m/z 131.063739, Mass diff 0 (0.3 ppm), SMILES N(=CSC)CNCC, Annotation [C5H12N2S-H]+, Rule of HR True"
+136.0869	5352872	"Theoretical m/z 136.087472, Mass diff 0 (0 ppm), Formula C7H10N3"
+138.07736	3666612	"Theoretical m/z 138.077427, Mass diff 0 (0.48 ppm), SMILES N=1C=NC(=NC=1N)NCC, Annotation [C5H9N5-H]+, Rule of HR True"
+139.08518	2800551
+142.03075	1895140
+151.09781	914941	"Theoretical m/z 151.097828, Mass diff 0 (0.12 ppm), SMILES N=1C=NC(=NC=1)NC(C)(C)C, Annotation [C7H12N4-H]+, Rule of HR True"
+152.09302	3772217	"Theoretical m/z 152.093062, Mass diff 0 (0.28 ppm), SMILES N=C(N=C(N)N)NC(C)(C)C, Annotation [C6H15N5-5H]+, Rule of HR True"
+153.11337	1983339	"Theoretical m/z 153.113478, Mass diff 0 (0.7 ppm), SMILES N=1C=NC(=NC=1)NC(C)(C)C, Annotation [C7H12N4+H]+, Rule of HR True"
+156.03372	6056552	"Theoretical m/z 156.033847, Mass diff 0 (0.82 ppm), SMILES N=1C(=NC(=NC=1N)SC)N, Annotation [C4H7N5S-H]+, Rule of HR True"
+156.05887	1058112	"Theoretical m/z 156.058999, Mass diff 0 (0.83 ppm), SMILES N=C(N=CNC(C)(C)C)S, Annotation [C6H13N3S-3H]+, Rule of HR True"
+157.04163	6194066
+168.04639	911356
+169.05418	766813	"Theoretical m/z 169.054248, Mass diff 0 (0.4 ppm), SMILES N=1C=NC(=NC=1NCC)SC, Annotation [C6H10N4S-H]+, Rule of HR True"
+170.04941	58974840	"Theoretical m/z 170.049488, Mass diff 0 (0.46 ppm), SMILES N=1C(=NC(=NC=1NCC)S)N, Annotation [C5H9N5S-H]+, Rule of HR True"
+171.05264	4047708
+172.04517	2609501
+182.04942	849184	"Theoretical m/z 182.050041, Mass diff 0 (0 ppm), Formula C6H8N5S"
+183.06998	1425252	"Theoretical m/z 183.069889, Mass diff 0 (0.5 ppm), SMILES N1=CN=C(N=C1NC(C)(C)C)S, Annotation [C7H12N4S-H]+, Rule of HR True"
+184.06519	7813235	"Theoretical m/z 184.065143, Mass diff 0 (0.25 ppm), SMILES N=1C(=NC(=NC=1NCC)SC)N, Annotation [C6H11N5S-H]+, Rule of HR True"
+185.07294	73280256
+186.07622	6837955
+187.06862	2984155
+198.08075	2837566	"Theoretical m/z 198.080783, Mass diff 0 (0.17 ppm), SMILES N1=C(N=C(N=C1NC(C)(C)C)S)N, Annotation [C7H13N5S-H]+, Rule of HR True"
+199.08861	1085880
+209.08556	1735528	"Theoretical m/z 209.086092, Mass diff 0 (0 ppm), Formula C9H13N4S"
+210.08063	1568287	"Theoretical m/z 210.080789, Mass diff 0 (0.76 ppm), SMILES N1=C(N=C(N=C1NC(C)(C)C)S)NC, Annotation [C8H15N5S-3H]+, Rule of HR True"
+224.09639	1571875	"Theoretical m/z 224.096991, Mass diff 0 (0 ppm), Formula C9H14N5S"
+226.11195	65086484	"Theoretical m/z 226.112095, Mass diff 0 (0.64 ppm), SMILES N1=C(N=C(N=C1NC(C)(C)C)S)NCC, Annotation [C9H17N5S-H]+, Rule of HR True"
+227.11525	3828332
+228.10765	2783331
+241.13538	15701413	"Theoretical m/z 241.13556, Mass diff 0 (0.75 ppm), SMILES N1=C(N=C(N=C1NC(C)(C)C)SC)NCC, Annotation [C10H19N5S]+, Rule of HR False"
+242.13886	1518105
+
+NAME: Bitertanol_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2714.6
+PRECURSORMZ: 268.14548
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H23N3O2
+INCHIKEY: VGPIBGGRCVEHQZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 14
+70.03996	2001046	"Theoretical m/z 70.039976, Mass diff 0 (0.23 ppm), SMILES N=1C=NNC=1, Annotation [C2H3N3+H]+, Rule of HR True"
+112.05045	3039869	"Theoretical m/z 112.050541, Mass diff 0 (0.81 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-H]+, Rule of HR True"
+115.05418	3695384	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+139.05411	1034262	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06975	4794412	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07767	946852
+151.05421	697161	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06197	3098720
+153.06979	1325678	"Theoretical m/z 153.069873, Mass diff 0 (0.55 ppm), SMILES C1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10-H]+, Rule of HR True"
+168.11317	6733095	"Theoretical m/z 168.113132, Mass diff 0 (0.23 ppm), SMILES OC(CN1N=CN=C1)C(C)(C)C, Annotation [C8H15N3O-H]+, Rule of HR True"
+169.06484	3456734	"Theoretical m/z 169.064792, Mass diff 0 (0.28 ppm), SMILES OC1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10O-H]+, Rule of HR True"
+169.1165	612546
+170.0725	59359012	"Theoretical m/z 170.072617, Mass diff 0 (0.69 ppm), SMILES OC1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10O]+, Rule of HR False"
+171.07579	7524659
+
+NAME: Bitertanol_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2725
+PRECURSORMZ: 327.9649
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H23N3O2
+INCHIKEY: VGPIBGGRCVEHQZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 28
+69.06983	163766	"Theoretical m/z 69.069879, Mass diff 0 (0.71 ppm), SMILES CC(C)(C)C, Annotation [C5H12-3H]+, Rule of HR True"
+70.07768	228343	"Theoretical m/z 70.077704, Mass diff 0 (0.34 ppm), SMILES CC(C)(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+71.08549	222025	"Theoretical m/z 71.085529, Mass diff 0 (0.55 ppm), SMILES CC(C)(C)C, Annotation [C5H12-H]+, Rule of HR True"
+81.06986	237247	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+83.08546	153263	"Theoretical m/z 83.085527, Mass diff 0 (0.8 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-3H]+, Rule of HR True"
+85.10113	314494	"Theoretical m/z 85.101177, Mass diff 0 (0.55 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-H]+, Rule of HR True"
+97.10114	342605	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+104.06199	81990	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+111.11677	185421	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+112.05042	535786	"Theoretical m/z 112.050541, Mass diff 0 (1.08 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-H]+, Rule of HR True"
+115.05417	553083	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+139.05409	165099	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06975	755269	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07767	139800
+151.05414	105957	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06194	479625
+153.06976	269664	"Theoretical m/z 153.069873, Mass diff 0 (0.74 ppm), SMILES C1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10-H]+, Rule of HR True"
+155.08534	101273	"Theoretical m/z 155.085524, Mass diff 0 (1.18 ppm), SMILES C1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10+H]+, Rule of HR True"
+161.13242	92189	"Theoretical m/z 161.133026, Mass diff 0 (0 ppm), Formula C12H17"
+168.1131	1584340	"Theoretical m/z 168.113132, Mass diff 0 (0.19 ppm), SMILES OC(CN1N=CN=C1)C(C)(C)C, Annotation [C8H15N3O-H]+, Rule of HR True"
+169.06471	521926	"Theoretical m/z 169.064792, Mass diff 0 (0.49 ppm), SMILES OC1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10O-H]+, Rule of HR True"
+169.11647	125849
+170.07251	8176887	"Theoretical m/z 170.072617, Mass diff 0 (0.63 ppm), SMILES OC1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C12H10O]+, Rule of HR False"
+171.07588	1059286
+183.08048	111714	"Theoretical m/z 183.080448, Mass diff 0 (0.18 ppm), SMILES O(C1=CC=C(C=C1)C2=CC=CC=C2)C, Annotation [C13H12O-H]+, Rule of HR True"
+211.07524	130781	"Theoretical m/z 211.075357, Mass diff 0 (0.55 ppm), SMILES OCCOC1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C14H14O2-3H]+, Rule of HR True"
+212.08307	108331	"Theoretical m/z 212.083182, Mass diff 0 (0.53 ppm), SMILES OCCOC1=CC=C(C=C1)C2=CC=CC=C2, Annotation [C14H14O2-2H]+, Rule of HR False"
+262.09763	109571	"Theoretical m/z 262.097497, Mass diff 0 (0.51 ppm), SMILES N=1C=NN(C=1)C(OC2=CC=C(C=C2)C3=CC=CC=C3)C, Annotation [C16H15N3O-3H]+, Rule of HR True"
+
+NAME: Bromuconazole_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2485.5
+PRECURSORMZ: 342.01697
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H12BrCl2N3O
+INCHIKEY: HJJVPARKXDDIQD-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 38
+99.02285	328464	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+108.98392	865011	"Theoretical m/z 108.983957, Mass diff 0 (0.34 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99172	435226
+110.98093	288436
+115.05418	1181608	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+122.99947	357741	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+128.06197	422065	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06976	302413	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+137.98662	520927	"Theoretical m/z 137.98773, Mass diff 0.001 (0 ppm), Formula C4H6Cl2N"
+144.05688	330343	"Theoretical m/z 144.058002, Mass diff 0.001 (0 ppm), Formula C7H11ClN"
+144.96046	499810	"Theoretical m/z 144.960636, Mass diff 0 (1.21 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2-H]+, Rule of HR True"
+146.95747	353995	"Theoretical m/z 146.955785, Mass diff -0.002 (0 ppm), Formula C3H4BrN2"
+149.0152	640167	"Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl"
+150.02296	273594
+158.97627	667334	"Theoretical m/z 158.976276, Mass diff 0 (0.04 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+160.97327	409390	"Theoretical m/z 160.971435, Mass diff -0.002 (0 ppm), Formula C4H6BrN2"
+161.96741	644780	"Theoretical m/z 161.967474, Mass diff 0 (0.4 ppm), SMILES O1CC(CC1C)Br, Annotation [C5H9BrO-2H]+, Rule of HR False"
+162.9706	331277
+163.96533	749610	"Theoretical m/z 163.966994, Mass diff 0.001 (0 ppm), Formula C5H4Cl2NO"
+172.95557	27176388	"Theoretical m/z 172.955545, Mass diff 0 (0.15 ppm), SMILES OCC=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O-3H]+, Rule of HR True"
+173.95885	2007956
+174.95252	17634676	"Theoretical m/z 174.9507, Mass diff -0.002 (0 ppm), Formula C4H4BrN2O"
+175.95584	1283195
+176.94952	2970396
+176.96063	288623
+178.01785	725446	"Theoretical m/z 178.01903, Mass diff 0.001 (0 ppm), Formula C7H10Cl2N"
+212.98671	486669	"Theoretical m/z 212.986841, Mass diff 0 (0.61 ppm), SMILES O1CCCC1C=2C=CC(=CC=2Cl)Cl, Annotation [C10H10Cl2O-3H]+, Rule of HR True"
+213.99327	1311104
+215.0023	699516	"Theoretical m/z 215.002491, Mass diff 0 (0.89 ppm), SMILES O1CCCC1C=2C=CC(=CC=2Cl)Cl, Annotation [C10H10Cl2O-H]+, Rule of HR True"
+215.99046	897578
+216.99942	308211
+292.91284	8300628	"Theoretical m/z 292.913013, Mass diff 0 (0.59 ppm), SMILES O1CC(CC1C=2C=CC(=CC=2Cl)Cl)Br, Annotation [C10H9BrCl2O-H]+, Rule of HR True"
+293.9162	842811
+294.91058	13011687
+295.91388	1369025
+296.90784	5918378
+297.91116	614435
+298.90494	822871
+
+NAME: Bromuconazole_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2527.8
+PRECURSORMZ: 341.98236
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H12BrCl2N3O
+INCHIKEY: HJJVPARKXDDIQD-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 41
+69.06983	605682	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+71.08549	1346054	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+75.02288	290427	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+83.08547	788379	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.09333	322227	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.10114	1722083	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+99.11679	490676
+108.98392	897735	"Theoretical m/z 108.983957, Mass diff 0 (0.34 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99174	422856
+110.98095	306564
+113.13239	301271
+122.99952	414988	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+137.98657	405753	"Theoretical m/z 137.98773, Mass diff 0.001 (0 ppm), Formula C4H6Cl2N"
+144.05688	297677	"Theoretical m/z 144.058002, Mass diff 0.001 (0 ppm), Formula C7H11ClN"
+144.96043	471322	"Theoretical m/z 144.960636, Mass diff 0 (1.42 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2-H]+, Rule of HR True"
+149.01524	674252	"Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl"
+150.02307	293291
+158.97623	687270	"Theoretical m/z 158.976276, Mass diff 0 (0.29 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+160.97318	479657	"Theoretical m/z 160.971435, Mass diff -0.002 (0 ppm), Formula C4H6BrN2"
+161.96741	1734091	"Theoretical m/z 161.967474, Mass diff 0 (0.4 ppm), SMILES O1CC(CC1C)Br, Annotation [C5H9BrO-2H]+, Rule of HR False"
+163.03079	396900	"Theoretical m/z 163.031453, Mass diff 0 (0 ppm), Formula C10H8Cl"
+163.9653	1709017	"Theoretical m/z 163.966994, Mass diff 0.001 (0 ppm), Formula C5H4Cl2NO"
+172.95555	28704702	"Theoretical m/z 172.955545, Mass diff 0 (0.03 ppm), SMILES OCC=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O-3H]+, Rule of HR True"
+173.95886	2142433
+174.95252	18239028	"Theoretical m/z 174.9507, Mass diff -0.002 (0 ppm), Formula C4H4BrN2O"
+175.95581	1365118
+176.94954	2910022
+178.01787	808486	"Theoretical m/z 178.01903, Mass diff 0.001 (0 ppm), Formula C7H10Cl2N"
+212.98679	645968	"Theoretical m/z 212.986841, Mass diff 0 (0.24 ppm), SMILES O1CCCC1C=2C=CC(=CC=2Cl)Cl, Annotation [C10H10Cl2O-3H]+, Rule of HR True"
+213.99327	3064700
+215.00243	1406187	"Theoretical m/z 215.002491, Mass diff 0 (0.28 ppm), SMILES O1CCCC1C=2C=CC(=CC=2Cl)Cl, Annotation [C10H10Cl2O-H]+, Rule of HR True"
+215.9904	2006515
+216.9996	551687
+217.98741	364509
+292.91284	7100940	"Theoretical m/z 292.913013, Mass diff 0 (0.59 ppm), SMILES O1CC(CC1C=2C=CC(=CC=2Cl)Cl)Br, Annotation [C10H9BrCl2O-H]+, Rule of HR True"
+293.91602	763374
+294.91058	10981566
+295.91385	1209662
+296.90781	5000881
+297.91119	542667
+298.90488	682780
+
+NAME: Cyproconazole_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2235.3
+PRECURSORMZ: 263.14297
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H18ClN3O
+INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 39
+69.06983	230523	"Theoretical m/z 69.069873, Mass diff 0 (0.63 ppm), SMILES CCC1CC1, Annotation [C5H10-H]+, Rule of HR True"
+70.07768	319409	"Theoretical m/z 70.077698, Mass diff 0 (0.26 ppm), SMILES CCC1CC1, Annotation [C5H10]+, Rule of HR False"
+75.02291	296670	"Theoretical m/z 75.022928, Mass diff 0 (0.23 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03853	230908	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+82.03994	3703642	"Theoretical m/z 82.039974, Mass diff 0 (0.41 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04775	1577285
+89.03854	701546	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04639	143639	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05419	142655	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+98.99956	176193	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+103.05417	139214	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+110.03481	136575	"Theoretical m/z 110.03489, Mass diff 0 (0.73 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-3H]+, Rule of HR True"
+110.99955	569166	"Theoretical m/z 110.999607, Mass diff 0 (0.51 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.00736	131241
+112.99654	257913
+115.05417	242441	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+125.01518	3471030	"Theoretical m/z 125.015255, Mass diff 0 (0.6 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.01853	337461
+127.0122	1265368
+128.06194	269496	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06976	248019	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+138.10252	283036	"Theoretical m/z 138.102573, Mass diff 0 (0.38 ppm), SMILES N=1C=NN(C=1)CCC(C)C, Annotation [C7H13N3-H]+, Rule of HR True"
+138.99443	8563099	"Theoretical m/z 138.994516, Mass diff 0 (0.62 ppm), SMILES OCC1=CC=C(C=C1)Cl, Annotation [C7H7ClO-3H]+, Rule of HR True"
+139.0056	956118	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+139.05414	137191	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.99773	672729
+140.99141	2829586
+141.0697	134322	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+141.99487	232064
+153.01007	615569	"Theoretical m/z 153.010171, Mass diff 0 (0.66 ppm), SMILES OC(C1=CC=C(C=C1)Cl)C, Annotation [C8H9ClO-3H]+, Rule of HR True"
+154.06213	182754
+155.00702	231841
+180.03221	823758
+182.02916	253428
+209.07257	141305	"Theoretical m/z 209.072773, Mass diff 0 (0.97 ppm), SMILES OC(C1=CC=C(C=C1)Cl)C(C)C2CC2, Annotation [C12H15ClO-H]+, Rule of HR True"
+222.04279	12252442	"Theoretical m/z 222.042865, Mass diff 0 (0.34 ppm), SMILES OC(C1=CC=C(C=C1)Cl)CN2N=CN=C2, Annotation [C10H10ClN3O-H]+, Rule of HR True"
+223.04598	1545564
+224.03973	3883051
+225.04289	435409
+
+NAME: Cyproconazole_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2239.8
+PRECURSORMZ: 281.051
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H18ClN3O
+INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 36
+69.06982	533773	"Theoretical m/z 69.069873, Mass diff 0 (0.77 ppm), SMILES CCC1CC1, Annotation [C5H10-H]+, Rule of HR True"
+70.03994	699037	"Theoretical m/z 70.039976, Mass diff 0 (0.51 ppm), SMILES N=1C=NNC=1, Annotation [C2H3N3+H]+, Rule of HR True"
+75.0229	467380	"Theoretical m/z 75.022928, Mass diff 0 (0.37 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03851	399180	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+82.03992	5777418	"Theoretical m/z 82.039974, Mass diff 0 (0.66 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04773	1663526
+89.03851	1198743	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04636	262107	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05418	374843	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+98.9995	302760	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+110.03477	260018	"Theoretical m/z 110.03489, Mass diff 0 (1.1 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-3H]+, Rule of HR True"
+110.99952	893010	"Theoretical m/z 110.999607, Mass diff 0 (0.78 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.00734	225022
+112.99651	334409
+115.05415	464896	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+125.01515	6276448	"Theoretical m/z 125.015255, Mass diff 0 (0.84 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.01849	502549
+127.01217	2107954
+128.06189	508023	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06972	367757	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+138.10249	505556	"Theoretical m/z 138.102573, Mass diff 0 (0.6 ppm), SMILES N=1C=NN(C=1)CCC(C)C, Annotation [C7H13N3-H]+, Rule of HR True"
+138.9944	11083820	"Theoretical m/z 138.994516, Mass diff 0 (0.83 ppm), SMILES OCC1=CC=C(C=C1)Cl, Annotation [C7H7ClO-3H]+, Rule of HR True"
+139.00558	1392188	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+139.99771	861513
+140.99138	3685021
+141.99484	277154
+153.01004	1102648	"Theoretical m/z 153.010171, Mass diff 0 (0.86 ppm), SMILES OC(C1=CC=C(C=C1)Cl)C, Annotation [C8H9ClO-3H]+, Rule of HR True"
+154.01787	234327	"Theoretical m/z 154.017996, Mass diff 0 (0.82 ppm), SMILES OC(C1=CC=C(C=C1)Cl)C, Annotation [C8H9ClO-2H]+, Rule of HR False"
+154.07761	266734	"Theoretical m/z 154.0777, Mass diff 0 (0.58 ppm), SMILES C1=CC=C(C=C1)CC(C)C2CC2, Annotation [C12H16-6H]+, Rule of HR False"
+155.00702	385407
+180.03215	1020042
+182.02918	301659
+222.04272	22496814	"Theoretical m/z 222.042865, Mass diff 0 (0.65 ppm), SMILES OC(C1=CC=C(C=C1)Cl)CN2N=CN=C2, Annotation [C10H10ClN3O-H]+, Rule of HR True"
+223.04594	2719298
+224.03964	7385835
+225.04286	856076
+
+NAME: Diclobutrazol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2205.2
+PRECURSORMZ: 326.96561
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H19Cl2N3O
+INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 64
+70.07764	737601	"Theoretical m/z 70.077704, Mass diff 0 (0.91 ppm), SMILES CC(C)(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+82.03991	5868483	"Theoretical m/z 82.039974, Mass diff 0 (0.78 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+89.03848	1399632	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+99.02286	484080	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+102.04631	2278110	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05409	660988	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+112.05039	2057378	"Theoretical m/z 112.050541, Mass diff 0 (1.34 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-H]+, Rule of HR True"
+115.05411	632186	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.05714	859039	"Theoretical m/z 117.057849, Mass diff 0 (0 ppm), Formula C8H7N"
+117.06971	884883	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+123.00587	2483558
+124.00731	454429
+125.01508	2013572	"Theoretical m/z 125.015255, Mass diff 0 (1.4 ppm), SMILES C=1C=CC(=C(C=1)C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+127.01215	445914
+129.06966	579856	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.0853	503051	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+136.00726	692604
+137.01512	2347722	"Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl"
+138.02919	803342
+139.03717	800081
+141.01642	390501
+141.06963	710013	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+149.02112	897198
+151.05408	779751	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.02602	1280283	"Theoretical m/z 152.026702, Mass diff 0 (0 ppm), Formula C8H7ClN"
+152.06189	768012	"Theoretical m/z 152.059065, Mass diff -0.003 (0 ppm), Formula C4H11ClN3O"
+158.97612	23703054	"Theoretical m/z 158.976276, Mass diff 0 (0.98 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+159.97949	1618777
+160.97316	15046208
+161.97653	1192506
+162.97017	2516652
+165.01012	865587	"Theoretical m/z 165.010717, Mass diff 0 (0 ppm), Formula C9H6ClO"
+165.06978	421260	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.01785	2756085	"Theoretical m/z 166.01903, Mass diff 0.001 (0 ppm), Formula C6H10Cl2N"
+167.02556	601001	"Theoretical m/z 167.026368, Mass diff 0 (0 ppm), Formula C9H8ClO"
+168.01489	964522
+171.9839	3775804
+172.99181	1695070	"Theoretical m/z 172.991932, Mass diff 0 (0.7 ppm), SMILES C1=CC(=CC(=C1CC)Cl)Cl, Annotation [C8H8Cl2-H]+, Rule of HR True"
+173.98103	2333441
+174.98883	1140128
+179.0602	491500	"Theoretical m/z 179.060923, Mass diff 0 (0 ppm), Formula C12H7N2"
+181.04446	575413	"Theoretical m/z 181.042018, Mass diff -0.003 (0 ppm), Formula C10H10ClO"
+184.97314	521446
+200.98666	5612651	"Theoretical m/z 200.986841, Mass diff 0 (0.9 ppm), SMILES OCCCC=1C=CC(=CC=1Cl)Cl, Annotation [C9H10Cl2O-3H]+, Rule of HR True"
+201.99005	595412
+202.98369	3708155
+204.03226	2173977	"Theoretical m/z 204.032297, Mass diff 0 (0.18 ppm), SMILES N=1C=NN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C10H10ClN3-3H]+, Rule of HR True"
+204.98065	825189
+206.02946	494139
+221.0741	1022505
+225.06853	432570
+241.01627	478951	"Theoretical m/z 241.016801, Mass diff 0.001 (2.2 ppm), SMILES N=1C=NN(C=1)CCC=2C=CC(=CC=2Cl)Cl, Annotation [C10H9Cl2N3]+, Rule of HR False"
+245.05893	460384
+252.00844	492845	"Theoretical m/z 252.008981, Mass diff 0.001 (2.15 ppm), SMILES N=1C=NN(C=1)C(C)CC=2C=CC(=CC=2Cl)Cl, Annotation [C11H11Cl2N3-3H]+, Rule of HR True"
+252.07355	1090086
+270.01923	35300852	"Theoretical m/z 270.01955, Mass diff 0 (1.18 ppm), SMILES OCC(N1N=CN=C1)CC=2C=CC(=CC=2Cl)Cl, Annotation [C11H11Cl2N3O-H]+, Rule of HR True"
+271.02261	4204284
+272.0162	23083576
+273.01965	2514692
+274.01318	3837564
+275.01691	398447	"Theoretical m/z 275.014279, Mass diff -0.003 (0 ppm), Formula C14H9Cl2N2"
+292.12088	1457996	"Theoretical m/z 292.121112, Mass diff 0 (0.8 ppm), SMILES OC(C(N1N=CN=C1)CC=2C=CC=CC=2Cl)C(C)(C)C, Annotation [C15H20ClN3O-H]+, Rule of HR True"
+294.11774	476673
+314.09155	433641
+
+NAME: Difenoconazole_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3010.3
+PRECURSORMZ: 403.98187
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H17Cl2N3O3
+INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 47
+71.08548	197641	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+75.02289	268173	"Theoretical m/z 75.022928, Mass diff 0 (0.5 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+79.05419	153378	"Theoretical m/z 79.054228, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06985	653397	"Theoretical m/z 81.069878, Mass diff 0 (-0.34 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+95.08546	260880	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+96.09327	168882	"Theoretical m/z 96.0939, Mass diff 0 (0 ppm), Formula C7H12"
+99.04402	202158	"Theoretical m/z 99.044053, Mass diff 0 (0.34 ppm), SMILES O1CC(OC1C)C, Annotation [C5H10O2-3H]+, Rule of HR True"
+109.10114	190400	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+109.99178	177915
+111.11674	179915	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+122.10889	185257
+126.06738	158866
+126.99447	153076	"Theoretical m/z 126.994526, Mass diff 0 (0.44 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO-H]+, Rule of HR True"
+127.05405	151275	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+132.49046	293576
+133.48894	258561
+137.13238	268486	"Theoretical m/z 137.133026, Mass diff 0 (0 ppm), Formula C10H17"
+137.98662	377682	"Theoretical m/z 137.98773, Mass diff 0.001 (0 ppm), Formula C4H6Cl2N"
+139.05406	936949	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.98364	142714	"Theoretical m/z 139.986294, Mass diff 0.002 (0 ppm), Formula CH3ClN3O3"
+149.02327	196542	"Theoretical m/z 149.023869, Mass diff 0 (0 ppm), Formula C8H5O3"
+154.98926	214268	"Theoretical m/z 154.989982, Mass diff 0 (0 ppm), Formula C7H4ClO2"
+163.14798	267595
+173.01526	506750	"Theoretical m/z 173.015803, Mass diff 0 (0 ppm), Formula C11H6Cl"
+174.02303	133675	"Theoretical m/z 174.020092, Mass diff -0.003 (0 ppm), Formula C3H10Cl2N3O"
+175.01227	204689	"Theoretical m/z 175.014367, Mass diff 0.002 (0 ppm), Formula C8H3N2O3"
+202.01784	1473218
+203.02107	157505
+204.01498	540089	"Theoretical m/z 204.017594, Mass diff 0.002 (0 ppm), Formula C6H7ClN3O3"
+208.99178	296185	"Theoretical m/z 208.992481, Mass diff 0 (0 ppm), Formula C11H7Cl2"
+230.01279	331816	"Theoretical m/z 230.013944, Mass diff 0.001 (0 ppm), Formula C10H10Cl2NO"
+236.98691	158397	"Theoretical m/z 236.98685, Mass diff 0 (0.25 ppm), SMILES O(C1=CC=C(C=C1)Cl)C=2C=CC=C(C=2)Cl, Annotation [C12H8Cl2O-H]+, Rule of HR True"
+238.98357	175612
+250.96767	233691	"Theoretical m/z 250.968853, Mass diff 0.001 (0 ppm), Formula C18Cl"
+252.99945	201056	"Theoretical m/z 253.003802, Mass diff 0.004 (0 ppm), Formula C16HN2O2"
+264.98157	13347573	"Theoretical m/z 264.981775, Mass diff 0 (0.77 ppm), SMILES OCC=2C=CC(OC1=CC=C(C=C1)Cl)=CC=2Cl, Annotation [C13H10Cl2O2-3H]+, Rule of HR True"
+265.98489	1892151
+266.97858	8291462	"Theoretical m/z 266.976831, Mass diff -0.002 (0 ppm), Formula C16H5Cl2"
+267.98184	1116967
+268.97562	1233681
+269.97861	213603	"Theoretical m/z 269.974666, Mass diff -0.004 (0 ppm), Formula C17HClNO"
+323.02344	10017450	"Theoretical m/z 323.023639, Mass diff 0 (0.62 ppm), SMILES O(C1=CC=C(C=C1)Cl)C=2C=CC(=C(C=2)Cl)C3OCC(O3)C, Annotation [C16H14Cl2O3-H]+, Rule of HR True"
+324.02676	1787972
+325.02042	6446035
+326.02368	1062762
+327.01727	1082796
+328.02036	150185	"Theoretical m/z 328.025572, Mass diff 0.005 (0 ppm), Formula C13H12Cl2N3O3"
+
+NAME: Difenoconazole_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 3016.2
+PRECURSORMZ: 404.43594
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H17Cl2N3O3
+INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 61
+67.05418	429113	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+69.06982	253714	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+71.08548	293080	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+75.0229	336130	"Theoretical m/z 75.022928, Mass diff 0 (0.37 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03851	170133	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+81.06985	313061	"Theoretical m/z 81.069878, Mass diff 0 (-0.34 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07766	198959	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08545	784160	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.09332	159732	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+95.08547	257854	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+97.10113	313046	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+98.10446	155415
+100.05176	453669	"Theoretical m/z 100.051878, Mass diff 0 (1.18 ppm), SMILES O1CC(OC1C)C, Annotation [C5H10O2-2H]+, Rule of HR False"
+105.06984	247150	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+109.10114	440336	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+110.10896	184626
+110.99945	207028	"Theoretical m/z 110.999607, Mass diff 0 (1.41 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+111.11674	234158	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+115.05413	161518	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06978	184886	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+123.1167	308630	"Theoretical m/z 123.117375, Mass diff 0 (0 ppm), Formula C9H15"
+125.13238	230620	"Theoretical m/z 125.133026, Mass diff 0 (0 ppm), Formula C9H17"
+125.9865	194898	"Theoretical m/z 125.986701, Mass diff 0 (1.59 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO-2H]+, Rule of HR False"
+126.9944	222723	"Theoretical m/z 126.994526, Mass diff 0 (0.99 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO-H]+, Rule of HR True"
+132.49046	424676
+133.06471	158838	"Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O"
+133.48903	317532
+135.11668	224157	"Theoretical m/z 135.116821, Mass diff 0 (-1.05 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+137.98659	503385	"Theoretical m/z 137.98773, Mass diff 0.001 (0 ppm), Formula C4H6Cl2N"
+138.04631	158395
+139.05409	672179	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.98352	159535	"Theoretical m/z 139.986294, Mass diff 0.002 (0 ppm), Formula CH3ClN3O3"
+140.05746	184393
+149.02325	294872	"Theoretical m/z 149.023869, Mass diff 0 (0 ppm), Formula C8H5O3"
+149.13242	239059	"Theoretical m/z 149.133026, Mass diff 0 (0 ppm), Formula C11H17"
+154.98929	320116	"Theoretical m/z 154.989982, Mass diff 0 (0 ppm), Formula C7H4ClO2"
+163.14798	153951
+167.04906	248840	"Theoretical m/z 167.04969, Mass diff 0 (0 ppm), Formula C12H7O"
+173.01524	678529	"Theoretical m/z 173.015803, Mass diff 0 (0 ppm), Formula C11H6Cl"
+174.02304	203011	"Theoretical m/z 174.020092, Mass diff -0.003 (0 ppm), Formula C3H10Cl2N3O"
+175.01213	279026	"Theoretical m/z 175.014367, Mass diff 0.002 (0 ppm), Formula C8H3N2O3"
+202.01781	1903494
+203.02107	324852
+208.99185	449552	"Theoretical m/z 208.992481, Mass diff 0 (0 ppm), Formula C11H7Cl2"
+210.98926	237008	"Theoretical m/z 210.991045, Mass diff 0.001 (0 ppm), Formula C8H4ClN2O3"
+229.00505	196726	"Theoretical m/z 229.005632, Mass diff 0 (0 ppm), Formula C13H6ClO2"
+238.98372	209426
+263.27383	180460
+264.98157	14925988	"Theoretical m/z 264.981775, Mass diff 0 (0.77 ppm), SMILES OCC=2C=CC(OC1=CC=C(C=C1)Cl)=CC=2Cl, Annotation [C13H10Cl2O2-3H]+, Rule of HR True"
+265.98489	2453242
+266.97858	11015377	"Theoretical m/z 266.976831, Mass diff -0.002 (0 ppm), Formula C16H5Cl2"
+267.9819	1375015
+268.97552	1448992
+323.02347	12710525	"Theoretical m/z 323.023639, Mass diff 0 (0.52 ppm), SMILES O(C1=CC=C(C=C1)Cl)C=2C=CC(=C(C=2)Cl)C3OCC(O3)C, Annotation [C16H14Cl2O3-H]+, Rule of HR True"
+324.02686	869177
+325.02045	7958960
+326.02374	1368304
+327.01743	1178538
+328.02063	260580	"Theoretical m/z 328.025572, Mass diff 0.004 (0 ppm), Formula C13H12Cl2N3O3"
+362.19012	416881
+377.21396	265830
+
+NAME: Diniconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2263.7
+PRECURSORMZ: 310.05087
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H17Cl2N3O
+INCHIKEY: FBOUIAKEJMZPQG-MLPAPPSSSA-N
+INCHI: 
+SMILES: CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 58
+70.03996	3982118	"Theoretical m/z 70.039976, Mass diff 0 (0.23 ppm), SMILES N=1C=NNC=1, Annotation [C2H3N3+H]+, Rule of HR True"
+89.03852	476234	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+99.02289	2000653	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+102.04639	774161	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+114.0338	1358677	"Theoretical m/z 114.034374, Mass diff 0 (0 ppm), Formula C8H4N"
+122.99951	2390258	"Theoretical m/z 122.999605, Mass diff 0 (0.77 ppm), SMILES C=1C=CC(=C(C=1)C)Cl, Annotation [C7H7Cl-3H]+, Rule of HR True"
+124.99659	864704
+134.99936	709696	"Theoretical m/z 135.000153, Mass diff 0 (0 ppm), Formula C8H4Cl"
+136.00738	3590564
+137.0152	1140651	"Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl"
+138.00439	1182193
+149.01515	951587	"Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl"
+150.01047	1478828	"Theoretical m/z 150.011052, Mass diff 0 (0 ppm), Formula C8H5ClN"
+151.01822	1215472	"Theoretical m/z 151.01839, Mass diff 0 (0 ppm), Formula C11H3O"
+152.00748	766062
+156.96059	623559	"Theoretical m/z 156.96118, Mass diff 0 (0 ppm), Formula C7H3Cl2"
+158.97623	2182219	"Theoretical m/z 158.976276, Mass diff 0 (0.29 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+160.97325	1279924
+163.00565	1076803	"Theoretical m/z 163.006301, Mass diff 0 (0 ppm), Formula C8H4ClN2"
+164.00227	561484	"Theoretical m/z 164.00338, Mass diff 0.001 (0 ppm), Formula C6H8Cl2N"
+165.01015	5051280	"Theoretical m/z 165.010717, Mass diff 0 (0 ppm), Formula C9H6ClO"
+166.01353	620786
+167.00719	1503520
+169.96835	476414
+170.97617	986169	"Theoretical m/z 170.976276, Mass diff 0 (0.62 ppm), SMILES C=CC=1C=CC(=CC=1Cl)Cl, Annotation [C8H6Cl2-H]+, Rule of HR True"
+171.96533	487358
+172.95557	1952353	"Theoretical m/z 172.956095, Mass diff 0 (0 ppm), Formula C7H3Cl2O"
+174.95259	881035
+177.02127	732780	"Theoretical m/z 177.021951, Mass diff 0 (0 ppm), Formula C9H6ClN2"
+178.02908	481596	"Theoretical m/z 178.029289, Mass diff 0 (0 ppm), Formula C12H4NO"
+183.9715	603510	"Theoretical m/z 183.971536, Mass diff 0 (0.2 ppm), SMILES NC=CC=1C=CC(=CC=1Cl)Cl, Annotation [C8H7Cl2N-3H]+, Rule of HR True"
+184.97925	908830	"Theoretical m/z 184.979361, Mass diff 0 (0.6 ppm), SMILES NC=CC=1C=CC(=CC=1Cl)Cl, Annotation [C8H7Cl2N-2H]+, Rule of HR False"
+185.96841	641076
+186.97624	597223
+190.96606	667617	"Theoretical m/z 190.968853, Mass diff 0.002 (0 ppm), Formula C13Cl"
+192.96309	539382	"Theoretical m/z 192.96118, Mass diff -0.002 (0 ppm), Formula C10H3Cl2"
+198.97116	853366	"Theoretical m/z 198.9712, Mass diff 0 (0.2 ppm), SMILES OCC=CC=1C=CC(=CC=1Cl)Cl, Annotation [C9H8Cl2O-3H]+, Rule of HR True"
+199.97894	509625	"Theoretical m/z 199.979025, Mass diff 0 (0.43 ppm), SMILES OCC=CC=1C=CC(=CC=1Cl)Cl, Annotation [C9H8Cl2O-2H]+, Rule of HR False"
+200.96818	499491
+204.03232	1099582	"Theoretical m/z 204.032306, Mass diff 0 (0.07 ppm), SMILES N=1C=NN(C=1)C=CC=2C=CC=CC=2Cl, Annotation [C10H8ClN3-H]+, Rule of HR True"
+205.01631	770577	"Theoretical m/z 205.016865, Mass diff 0 (0 ppm), Formula C10H6ClN2O"
+206.02936	593908
+232.02719	19663578	"Theoretical m/z 232.027215, Mass diff 0 (0.11 ppm), SMILES OCC(=CC=1C=CC=CC=1Cl)N2N=CN=C2, Annotation [C11H10ClN3O-3H]+, Rule of HR True"
+233.03043	3032744
+234.04277	13555018	"Theoretical m/z 234.042865, Mass diff 0 (0.41 ppm), SMILES OCC(=CC=1C=CC=CC=1Cl)N2N=CN=C2, Annotation [C11H10ClN3O-H]+, Rule of HR True"
+235.04599	1824021
+236.03981	2252194
+240.00882	541682	"Theoretical m/z 240.008985, Mass diff 0 (0.69 ppm), SMILES N=1C=NN(C=1)C=CC=2C=CC(=CC=2Cl)Cl, Annotation [C10H7Cl2N3+H]+, Rule of HR True"
+245.01311	949476
+247.01001	603581	"Theoretical m/z 247.008131, Mass diff -0.002 (0 ppm), Formula C14H9Cl2"
+249.99327	869850	"Theoretical m/z 249.993326, Mass diff 0 (0.22 ppm), SMILES N=1C=NN(C=1)C(=CC=2C=CC(=CC=2Cl)Cl)C, Annotation [C11H9Cl2N3-3H]+, Rule of HR True"
+251.99026	563420
+268.00375	43831404	"Theoretical m/z 268.003894, Mass diff 0 (0.54 ppm), SMILES OCC(=CC=1C=CC(=CC=1Cl)Cl)N2N=CN=C2, Annotation [C11H9Cl2N3O-H]+, Rule of HR True"
+269.00665	4495488
+270.00067	28313678
+271.00354	2930794
+271.99771	4496434
+273.00049	480329	"Theoretical m/z 272.998629, Mass diff -0.002 (0 ppm), Formula C14H7Cl2N2"
+
+NAME: Epoxiconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2463.9
+PRECURSORMZ: 328.06427
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H13ClFN3O
+INCHIKEY: ZMYFCFLJBGAQRS-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 86
+74.01504	462062	"Theoretical m/z 74.015103, Mass diff 0 (0.85 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02291	2849802	"Theoretical m/z 75.022928, Mass diff 0 (0.23 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-3H]+, Rule of HR True"
+76.03066	404908	"Theoretical m/z 76.030753, Mass diff 0 (1.22 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03851	624572	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-H]+, Rule of HR True"
+83.02911	501550	"Theoretical m/z 83.029703, Mass diff 0 (0 ppm), Formula C5H4F"
+89.03853	4501438	"Theoretical m/z 89.038575, Mass diff 0 (0.51 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04191	471773
+91.0542	541767	"Theoretical m/z 91.054226, Mass diff 0 (0.28 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+94.02128	462513
+95.02911	1894526	"Theoretical m/z 95.029155, Mass diff 0 (0.48 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F-H]+, Rule of HR True"
+95.08549	1811740	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+100.0307	430696	"Theoretical m/z 100.0311, Mass diff 0 (0 ppm), Formula C3H3FN3"
+101.03854	1687184	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+102.04633	668122	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05416	420345	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+107.02911	3023653	"Theoretical m/z 107.029153, Mass diff 0 (0.4 ppm), SMILES FC1=CC=C(C=C1)C, Annotation [C7H7F-3H]+, Rule of HR True"
+108.0369	2655800
+109.04479	1232514	"Theoretical m/z 109.044803, Mass diff 0 (0.12 ppm), SMILES FC1=CC=C(C=C1)C, Annotation [C7H7F-H]+, Rule of HR True"
+109.10114	1241904	"Theoretical m/z 109.101725, Mass diff 0 (0 ppm), Formula C8H13"
+110.99944	732010	"Theoretical m/z 110.999607, Mass diff 0 (1.5 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+113.03941	621583	"Theoretical m/z 113.040268, Mass diff 0 (0 ppm), Formula C6H6FO"
+115.05418	464553	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06978	420786	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+120.03693	3441954
+121.04473	3458544	"Theoretical m/z 121.044809, Mass diff 0 (0.65 ppm), SMILES FC1=CC=C(C=C1)CC, Annotation [C8H9F-3H]+, Rule of HR True"
+122.03996	680452	"Theoretical m/z 122.040602, Mass diff 0 (0 ppm), Formula C7H5FN"
+123.02397	5684615	"Theoretical m/z 123.024072, Mass diff 0 (0.83 ppm), SMILES FC1=CC=C(C=C1)CO, Annotation [C7H7FO-3H]+, Rule of HR True"
+124.02737	558405
+125.01519	5226017	"Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES C1=CC=C(C(=C1)C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.01853	499428
+127.01222	1779604
+129.0446	2932592	"Theoretical m/z 129.045273, Mass diff 0 (0 ppm), Formula C8H5N2"
+130.03989	1519540	"Theoretical m/z 130.041865, Mass diff 0.001 (0 ppm), Formula C9H6O"
+133.04468	733398	"Theoretical m/z 133.045353, Mass diff 0 (0 ppm), Formula C9H6F"
+134.03995	1764096	"Theoretical m/z 134.040053, Mass diff 0 (0.77 ppm), SMILES FC1=CC=C(C=C1)CCN, Annotation [C8H10FN-5H]+, Rule of HR True"
+135.04776	1961717
+138.01042	19179494	"Theoretical m/z 138.011052, Mass diff 0 (0 ppm), Formula C7H5ClN"
+138.9944	4392767	"Theoretical m/z 138.994516, Mass diff 0 (0.83 ppm), SMILES OCC1=CC=CC=C1Cl, Annotation [C7H7ClO-3H]+, Rule of HR True"
+139.01378	2819557
+140.0074	6125472
+140.99139	1517973	"Theoretical m/z 140.990731, Mass diff -0.001 (0 ppm), Formula C7H3ClF"
+151.01819	394815	"Theoretical m/z 151.01839, Mass diff 0 (0 ppm), Formula C11H3O"
+152.02608	2383823	"Theoretical m/z 152.026702, Mass diff 0 (0 ppm), Formula C8H7ClN"
+153.06969	429741
+154.0231	739357
+157.0634	11375643	"Theoretical m/z 157.06534, Mass diff 0.001 (0 ppm), Formula C11H9O"
+158.06671	1140171
+161.05089	847510	"Theoretical m/z 161.050948, Mass diff 0 (0.36 ppm), SMILES FC1=CC=C(C=C1)CCNC=N, Annotation [C9H11FN2-5H]+, Rule of HR True"
+162.05864	827254
+163.05409	790069	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+165.02138	19324032	"Theoretical m/z 165.021951, Mass diff 0 (0 ppm), Formula C8H6ClN2"
+165.06979	666433	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.02469	1706558
+167.0184	5959450
+168.02177	673389
+170.07112	803168	"Theoretical m/z 170.071267, Mass diff 0 (0.87 ppm), SMILES N=1C=NN(C=1)CCC2=CC=CC=C2, Annotation [C10H11N3-3H]+, Rule of HR True"
+177.06975	426960	"Theoretical m/z 177.070425, Mass diff 0 (0 ppm), Formula C14H9"
+178.02916	854687	"Theoretical m/z 178.029289, Mass diff 0 (0 ppm), Formula C12H4NO"
+179.03696	475212	"Theoretical m/z 179.037601, Mass diff 0 (0 ppm), Formula C9H8ClN2"
+179.08539	1118200	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.09322	717396	"Theoretical m/z 180.093701, Mass diff 0 (0 ppm), Formula C9H11FN3"
+181.0446	681052	"Theoretical m/z 181.045353, Mass diff 0 (0 ppm), Formula C13H6F"
+182.0526	742918	"Theoretical m/z 182.049643, Mass diff -0.004 (0 ppm), Formula C5H10ClFN3O"
+183.06044	6543272	"Theoretical m/z 183.061003, Mass diff 0 (0 ppm), Formula C13H8F"
+184.06819	2243390	"Theoretical m/z 184.065293, Mass diff -0.003 (0 ppm), Formula C5H12ClFN3O"
+188.06178	1700617	"Theoretical m/z 188.061853, Mass diff 0 (0.39 ppm), SMILES FC1=CC=C(C=C1)CCN2N=CN=C2, Annotation [C10H10FN3-3H]+, Rule of HR True"
+192.03215	38802036	"Theoretical m/z 192.03285, Mass diff 0 (0 ppm), Formula C9H7ClN3"
+193.03557	4057074
+194.02925	13329931
+194.05229	503332	"Theoretical m/z 194.049643, Mass diff -0.003 (0 ppm), Formula C6H10ClFN3O"
+195.03253	1521193
+196.06818	1265248	"Theoretical m/z 196.065293, Mass diff -0.003 (0 ppm), Formula C6H12ClFN3O"
+197.07594	760052	"Theoretical m/z 197.076654, Mass diff 0 (0 ppm), Formula C14H10F"
+206.04793	5105568	"Theoretical m/z 206.0485, Mass diff 0 (0 ppm), Formula C10H9ClN3"
+207.05124	1003574
+208.04492	1958589
+209.0116	466550	"Theoretical m/z 209.013973, Mass diff 0.002 (0 ppm), Formula C15HN2"
+209.07599	1014596	"Theoretical m/z 209.076654, Mass diff 0 (0 ppm), Formula C15H10F"
+212.0631	835311	"Theoretical m/z 212.063193, Mass diff 0 (0.44 ppm), SMILES FC1=CC=C(C=C1)C3OC3(C=2C=CC=CC=2), Annotation [C14H11FO-2H]+, Rule of HR False"
+215.06204	2906009	"Theoretical m/z 215.062753, Mass diff 0 (0 ppm), Formula C14H12Cl"
+216.06543	415564
+217.0592	1215493
+225.07085	432914	"Theoretical m/z 225.071023, Mass diff 0 (0.77 ppm), SMILES FC1=CC=C(C=C1)C3(OC3(C=2C=CC=CC=2))(C), Annotation [C15H13FO-3H]+, Rule of HR True"
+278.1087	1359974	"Theoretical m/z 278.108789, Mass diff 0 (0.32 ppm), SMILES FC1=CC=C(C=C1)C(CC=2C=CC=CC=2)CN3N=CN=C3, Annotation [C17H16FN3-3H]+, Rule of HR True"
+294.10342	880516	"Theoretical m/z 294.103717, Mass diff 0 (1.01 ppm), SMILES FC1=CC=C(C=C1)C3(OC3(C=2C=CC=CC=2))(CN4N=CN=C4), Annotation [C17H14FN3O-H]+, Rule of HR True"
+299.11844	402059
+
+NAME: Etoxazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2491.5
+PRECURSORMZ: 359.16888
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H23F2NO2
+INCHIKEY: IXSZQYVWNJNRAL-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 144
+71.08549	823223	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+77.03852	2324244	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04638	909003	"Theoretical m/z 78.04695, Mass diff 0 (0 ppm), Formula C6H6"
+79.05419	1290911	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+81.06986	409462	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+85.10114	914696	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+89.03853	726742	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04639	392690	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05421	7342728	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.05757	513805
+102.04637	606354	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05418	2338625	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.53146	436086
+105.06987	3286140	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.0491	3362158	"Theoretical m/z 107.049141, Mass diff 0 (-0.38 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+113.01954	513790	"Theoretical m/z 113.019733, Mass diff 0 (1.71 ppm), SMILES FC1=CC=CC(F)=C1, Annotation [C6H4F2-H]+, Rule of HR True"
+115.05418	6383040	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06199	2214493	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+117.06979	2983212	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.07756	468875
+118.52889	783138
+119.0491	1021400	"Theoretical m/z 119.049142, Mass diff 0 (0.35 ppm), SMILES O(C=1C=CC=CC=1)CC, Annotation [C8H10O-3H]+, Rule of HR True"
+119.08548	2815089	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+120.05693	394343	"Theoretical m/z 120.056967, Mass diff 0 (0.31 ppm), SMILES O(C=1C=CC=CC=1)CC, Annotation [C8H10O-2H]+, Rule of HR False"
+120.08069	747806	"Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N"
+121.06474	1621575	"Theoretical m/z 121.064792, Mass diff 0 (0.43 ppm), SMILES O(C=1C=CC=CC=1)CC, Annotation [C8H10O-H]+, Rule of HR True"
+127.03529	2595807	"Theoretical m/z 127.035389, Mass diff 0 (0.78 ppm), SMILES FC1=CC=CC(F)=C1C, Annotation [C7H6F2-H]+, Rule of HR True"
+128.06194	2555466	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06976	4106092	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+129.53758	483520
+130.07756	592179
+131.04909	4807371	"Theoretical m/z 131.049148, Mass diff 0 (0.44 ppm), SMILES O(C=1C=CC=CC=1C)CC, Annotation [C9H12O-5H]+, Rule of HR True"
+132.05243	1144492
+133.06471	5243308	"Theoretical m/z 133.064798, Mass diff 0 (0.66 ppm), SMILES O(C=1C=CC=CC=1C)CC, Annotation [C9H12O-3H]+, Rule of HR True"
+134.06805	1059376
+135.04393	3032000	"Theoretical m/z 135.044604, Mass diff 0 (0 ppm), Formula C8H7O2"
+135.08028	1172674	"Theoretical m/z 135.080448, Mass diff 0 (1.24 ppm), SMILES O(C=1C=CC=CC=1C)CC, Annotation [C9H12O-H]+, Rule of HR True"
+139.02269	1961805
+140.03053	2830038	"Theoretical m/z 140.030628, Mass diff 0 (0.7 ppm), SMILES FC1=CC=CC(F)=C1(C=N), Annotation [C7H5F2N-H]+, Rule of HR True"
+141.01451	38349328	"Theoretical m/z 141.014642, Mass diff 0 (0.94 ppm), SMILES FC1=CC=CC(F)=C1CO, Annotation [C7H6F2O-3H]+, Rule of HR True"
+141.0257	3822274
+142.01794	2315576
+143.08539	507125	"Theoretical m/z 143.085525, Mass diff 0 (0.94 ppm), SMILES C=1C=C(C=CC=1C)C(C)(C)C, Annotation [C11H16-5H]+, Rule of HR True"
+144.08072	895334	"Theoretical m/z 144.081324, Mass diff 0 (0 ppm), Formula C10H10N"
+145.0647	2279366	"Theoretical m/z 145.064788, Mass diff 0 (0.61 ppm), SMILES O(C=1C=CC=CC=1CC)CC, Annotation [C10H14O-5H]+, Rule of HR True"
+146.07257	957588	"Theoretical m/z 146.072613, Mass diff 0 (0.29 ppm), SMILES OC1=CC=CC(=C1)C(C)(C)C, Annotation [C10H14O-4H]+, Rule of HR False"
+147.08034	5411630	"Theoretical m/z 147.080438, Mass diff 0 (0.67 ppm), SMILES OC1=CC=CC(=C1)C(C)(C)C, Annotation [C10H14O-3H]+, Rule of HR True"
+148.07555	5745672	"Theoretical m/z 148.075693, Mass diff 0 (0.96 ppm), SMILES O(C=1C=CC=CC=1CN)CC, Annotation [C9H13NO-3H]+, Rule of HR True"
+154.04614	1730833	"Theoretical m/z 154.046283, Mass diff 0 (0.93 ppm), SMILES FC1=CC=CC(F)=C1(C=NC), Annotation [C8H7F2N-H]+, Rule of HR True"
+155.06035	489124
+158.04111	1008792	"Theoretical m/z 158.041197, Mass diff 0 (0.55 ppm), SMILES FC1=CC=CC(F)=C1C(=N)O, Annotation [C7H5F2NO+H]+, Rule of HR True"
+158.07259	392936
+159.08038	3945741	"Theoretical m/z 159.080443, Mass diff 0 (0.4 ppm), SMILES OC=1C=C(C=CC=1C)C(C)(C)C, Annotation [C11H16O-5H]+, Rule of HR True"
+160.07568	1445220	"Theoretical m/z 160.075683, Mass diff 0 (0.02 ppm), SMILES O(C=1C=CC=CC=1C(N)C)CC, Annotation [C10H15NO-5H]+, Rule of HR True"
+161.09601	15008277	"Theoretical m/z 161.096094, Mass diff 0 (0.52 ppm), SMILES O(C1=CC=CC(=C1)C(C)(C)C)C, Annotation [C11H16O-3H]+, Rule of HR True"
+162.09934	1913265
+163.07521	1779625	"Theoretical m/z 163.075357, Mass diff 0 (0.9 ppm), SMILES OCCC=1C=CC=CC=1(OCC), Annotation [C10H14O2-3H]+, Rule of HR True"
+163.11159	547580	"Theoretical m/z 163.111744, Mass diff 0 (0.94 ppm), SMILES O(C1=CC=CC(=C1)C(C)(C)C)C, Annotation [C11H16O-H]+, Rule of HR True"
+172.08812	1062395
+173.09608	390456	"Theoretical m/z 173.096099, Mass diff 0 (0.11 ppm), SMILES O(C=1C=C(C=CC=1C)C(C)(C)C)C, Annotation [C12H18O-5H]+, Rule of HR True"
+174.0912	595282	"Theoretical m/z 174.091338, Mass diff 0 (0.79 ppm), SMILES OC=1C=C(C=CC=1CN)C(C)(C)C, Annotation [C11H17NO-5H]+, Rule of HR True"
+175.11172	6275826	"Theoretical m/z 175.111749, Mass diff 0 (0.17 ppm), SMILES O(C=1C=C(C=CC=1C)C(C)(C)C)C, Annotation [C12H18O-3H]+, Rule of HR True"
+176.10695	20087684	"Theoretical m/z 176.106988, Mass diff 0 (0.22 ppm), SMILES OC=1C=C(C=CC=1CN)C(C)(C)C, Annotation [C11H17NO-3H]+, Rule of HR True"
+177.11023	3078618
+177.1273	598413	"Theoretical m/z 177.127399, Mass diff 0 (0.56 ppm), SMILES O(C1=CC=CC(=C1)C(C)(C)C)CC, Annotation [C12H18O-H]+, Rule of HR True"
+182.04103	1093603	"Theoretical m/z 182.041202, Mass diff 0 (0.95 ppm), SMILES FC1=CC=CC(F)=C1C2=NCCO2, Annotation [C9H7F2NO-H]+, Rule of HR True"
+186.12769	813270	"Theoretical m/z 186.128275, Mass diff 0 (0 ppm), Formula C13H16N"
+187.11165	32161936	"Theoretical m/z 187.111739, Mass diff 0 (0.48 ppm), SMILES O(C=1C=C(C=CC=1CC)C(C)(C)C)C, Annotation [C13H20O-5H]+, Rule of HR True"
+188.11498	4747093
+189.12712	937021	"Theoretical m/z 189.127389, Mass diff 0 (1.42 ppm), SMILES O(C=1C=C(C=CC=1C)C(C)(C)C)CC, Annotation [C13H20O-3H]+, Rule of HR True"
+191.10655	407575	"Theoretical m/z 191.106653, Mass diff 0 (0.54 ppm), SMILES OC=1C=C(C=CC=1CCO)C(C)(C)C, Annotation [C12H18O2-3H]+, Rule of HR True"
+191.14281	763180	"Theoretical m/z 191.143039, Mass diff 0 (1.2 ppm), SMILES O(C=1C=C(C=CC=1C)C(C)(C)C)CC, Annotation [C13H20O-H]+, Rule of HR True"
+201.1273	3231293	"Theoretical m/z 201.12794, Mass diff 0 (0 ppm), Formula C14H17O"
+202.13513	8040157
+203.10651	2926657	"Theoretical m/z 203.106658, Mass diff 0 (0.73 ppm), SMILES OCCC=1C=CC(=CC=1(OC))C(C)(C)C, Annotation [C13H20O2-5H]+, Rule of HR True"
+203.13861	1706550
+204.13828	24373282	"Theoretical m/z 204.138284, Mass diff 0 (0.02 ppm), SMILES O(C=1C=C(C=CC=1CN)C(C)(C)C)CC, Annotation [C13H21NO-3H]+, Rule of HR True"
+205.14154	5864302
+206.12569	483633
+216.0619	1911850	"Theoretical m/z 216.062481, Mass diff 0 (0 ppm), Formula C13H8F2N"
+217.0703	482743	"Theoretical m/z 217.066483, Mass diff -0.004 (0 ppm), Formula C13H10FO2"
+218.15388	2470801	"Theoretical m/z 218.153934, Mass diff 0 (0.25 ppm), SMILES N(=C)CC=1C=CC(=CC=1(OCC))C(C)(C)C, Annotation [C14H21NO-H]+, Rule of HR True"
+220.14571	849064
+229.06972	1344586	"Theoretical m/z 229.066483, Mass diff -0.004 (0 ppm), Formula C14H10FO2"
+230.07811	583436	"Theoretical m/z 230.078131, Mass diff -0.001 (0 ppm), Formula C14H10F2N"
+232.13309	661919	"Theoretical m/z 232.133213, Mass diff 0 (0.53 ppm), SMILES N1=COCC1C=2C=CC(=CC=2(OC))C(C)(C)C, Annotation [C14H19NO2-H]+, Rule of HR True"
+242.07741	1199680	"Theoretical m/z 242.078131, Mass diff 0 (0 ppm), Formula C15H10F2N"
+243.0863	598112	"Theoretical m/z 243.082133, Mass diff -0.005 (0 ppm), Formula C15H12FO2"
+244.05678	5450486	"Theoretical m/z 244.057395, Mass diff 0 (0 ppm), Formula C14H8F2NO"
+245.06486	5897701	"Theoretical m/z 245.060255, Mass diff -0.005 (0 ppm), Formula C17H9O2"
+246.06746	749036
+254.09734	1159658	"Theoretical m/z 254.098117, Mass diff 0 (0 ppm), Formula C16H13FNO"
+256.09302	1088570	"Theoretical m/z 256.093781, Mass diff 0 (0 ppm), Formula C16H12F2N"
+257.10126	1560695	"Theoretical m/z 257.097783, Mass diff -0.004 (0 ppm), Formula C16H14FO2"
+258.0726	2377826	"Theoretical m/z 258.072498, Mass diff 0 (0.4 ppm), SMILES FC1=CC=CC(F)=C1C3=NC(C=2C=CC=CC=2)CO3, Annotation [C15H11F2NO-H]+, Rule of HR True"
+259.07532	431529
+268.11307	437162	"Theoretical m/z 268.113767, Mass diff 0 (0 ppm), Formula C17H15FNO"
+270.07233	13535019	"Theoretical m/z 270.072509, Mass diff 0 (0.66 ppm), SMILES FC2=CC=CC(F)=C2(C=NCC=1C=CC=CC=1(OCC)), Annotation [C16H15F2NO-5H]+, Rule of HR True"
+271.07489	2128471
+272.12436	1392408	"Theoretical m/z 272.125081, Mass diff 0 (0 ppm), Formula C17H16F2N"
+273.09582	3277308	"Theoretical m/z 273.095984, Mass diff 0 (0.6 ppm), SMILES FC2=CC=CC(F)=C2(C=NCC=1C=CC=CC=1(OCC)), Annotation [C16H15F2NO-2H]+, Rule of HR False"
+274.0672	5599291	"Theoretical m/z 274.067402, Mass diff 0 (0.74 ppm), SMILES FC1=CC=CC(F)=C1C3=NC(C=2C=CC=CC=2(O))CO3, Annotation [C15H11F2NO2-H]+, Rule of HR True"
+275.07034	786627
+284.08801	3420436	"Theoretical m/z 284.088134, Mass diff 0 (0.44 ppm), SMILES FC2=CC=CC(F)=C2(C=NC(C=1C=CC=CC=1(OCC))C), Annotation [C17H17F2NO-5H]+, Rule of HR True"
+284.10785	396583	"Theoretical m/z 284.108142, Mass diff 0 (1.03 ppm), SMILES FC=1C=CC=CC=1C3=NC(C=2C=CC=CC=2(OCC))CO3, Annotation [C17H16FNO2-H]+, Rule of HR True"
+285.09604	7304372	"Theoretical m/z 285.095959, Mass diff 0 (0.28 ppm), SMILES FC2=CC=CC(F)=C2(C=NC(C=1C=CC=CC=1(OCC))C), Annotation [C17H17F2NO-4H]+, Rule of HR False"
+286.10342	2594446
+287.12421	739229	"Theoretical m/z 287.124747, Mass diff 0 (0 ppm), Formula C18H17F2O"
+288.08295	749720	"Theoretical m/z 288.083057, Mass diff 0 (0.37 ppm), SMILES FC1=CC=CC(F)=C1C3=NC(C=2C=CC=CC=2(OC))CO3, Annotation [C16H13F2NO2-H]+, Rule of HR True"
+294.16528	2697498	"Theoretical m/z 294.165803, Mass diff 0 (0 ppm), Formula C20H21FN"
+295.16864	470029
+296.14456	3233900	"Theoretical m/z 296.144519, Mass diff 0 (0.14 ppm), SMILES FC=1C=CC=CC=1C3=NC(C2=CC=C(C=C2)C(C)(C)C)CO3, Annotation [C19H20FNO-H]+, Rule of HR True"
+297.1477	477878
+298.1037	696441	"Theoretical m/z 298.103789, Mass diff 0 (0.3 ppm), SMILES FC2=CC=CC(F)=C2(C=NCC=1C=CC(=CC=1(O))C(C)(C)C), Annotation [C18H19F2NO-5H]+, Rule of HR True"
+298.14029	1491603	"Theoretical m/z 298.140191, Mass diff 0 (0.33 ppm), SMILES FC2=CC=CC(F)=C2(C=NC(C1=CC=C(C=C1)C(C)(C)C)C), Annotation [C19H21F2N-3H]+, Rule of HR True"
+299.12412	775531	"Theoretical m/z 299.124206, Mass diff 0 (0.29 ppm), SMILES FC1=CC=CC(F)=C1COCCC2=CC=C(C=C2)C(C)(C)C, Annotation [C19H22F2O-5H]+, Rule of HR True"
+300.11939	28029058	"Theoretical m/z 300.119439, Mass diff 0 (0.16 ppm), SMILES FC2=CC=CC(F)=C2(C=NCC=1C=CC(=CC=1(O))C(C)(C)C), Annotation [C18H19F2NO-3H]+, Rule of HR True"
+301.12268	4898649
+302.09857	14561452	"Theoretical m/z 302.098713, Mass diff 0 (0.47 ppm), SMILES FC1=CC=CC(F)=C1C3=NC(C=2C=CC=CC=2(OCC))CO3, Annotation [C17H15F2NO2-H]+, Rule of HR True"
+303.10156	1956321
+306.12863	456581	"Theoretical m/z 306.129417, Mass diff 0 (0 ppm), Formula C20H17FNO"
+310.16006	413002	"Theoretical m/z 310.16018, Mass diff 0 (0.39 ppm), SMILES FC=2C=CC=CC=2(C=NCC=1C=CC(=CC=1(OCC))C(C)(C)C), Annotation [C20H24FNO-3H]+, Rule of HR True"
+311.16785	4202622
+312.15625	481173	"Theoretical m/z 312.156381, Mass diff 0 (0 ppm), Formula C20H20F2N"
+312.17587	5277008	"Theoretical m/z 312.17583, Mass diff 0 (0.13 ppm), SMILES FC=2C=CC=CC=2(C=NCC=1C=CC(=CC=1(OCC))C(C)(C)C), Annotation [C20H24FNO-H]+, Rule of HR True"
+313.17908	1541592
+314.13486	4603364	"Theoretical m/z 314.135095, Mass diff 0 (0.75 ppm), SMILES FC2=CC=CC(F)=C2(C=NCC=1C=CC(=CC=1(OC))C(C)(C)C), Annotation [C19H21F2NO-3H]+, Rule of HR True"
+315.13745	1284063
+316.15103	529336	"Theoretical m/z 316.150745, Mass diff 0 (0.9 ppm), SMILES FC2=CC=CC(F)=C2(C=NCC=1C=CC(=CC=1(OC))C(C)(C)C), Annotation [C19H21F2NO-H]+, Rule of HR True"
+321.15234	462266
+322.16049	477463	"Theoretical m/z 322.160155, Mass diff 0 (1.04 ppm), SMILES FC=2C=CC=CC=2(C=NC(C=1C=CC(=CC=1(OCC))C(C)(C)C)C), Annotation [C21H26FNO-5H]+, Rule of HR True"
+324.13919	706121	"Theoretical m/z 324.139428, Mass diff 0 (0.74 ppm), SMILES FC=1C=CC=CC=1C3=NC(C=2C=CC(=CC=2(OC))C(C)(C)C)CO3, Annotation [C20H22FNO2-3H]+, Rule of HR True"
+330.12982	23645208	"Theoretical m/z 330.129999, Mass diff 0 (0.54 ppm), SMILES FC2=CC=CC(F)=C2(C(O)=NCC=1C=CC(=CC=1(OC))C(C)(C)C), Annotation [C19H21F2NO2-3H]+, Rule of HR True"
+331.13318	6445398
+332.1362	767018
+339.16287	4693150
+340.17084	5552209	"Theoretical m/z 340.170734, Mass diff 0 (0.31 ppm), SMILES FC=1C=CC=CC=1C3=NC(C=2C=CC(=CC=2(OCC))C(C)(C)C)CO3, Annotation [C21H24FNO2-H]+, Rule of HR True"
+341.17407	1090521
+342.12979	1221142	"Theoretical m/z 342.13056, Mass diff 0 (0 ppm), Formula C20H18F2NO2"
+344.14554	6455454	"Theoretical m/z 344.145649, Mass diff 0 (0.32 ppm), SMILES FC1=CC=CC(F)=C1C3=NC(C=2C=CC(=CC=2(OC))C(C)(C)C)CO3, Annotation [C20H21F2NO2-H]+, Rule of HR True"
+345.14893	1487209
+358.16104	1122816	"Theoretical m/z 358.16186, Mass diff 0 (0 ppm), Formula C21H22F2NO2"
+359.16888	8156903	"Theoretical m/z 359.169129, Mass diff 0 (0.69 ppm), SMILES FC1=CC=CC(F)=C1C3=NC(C=2C=CC(=CC=2(OCC))C(C)(C)C)CO3, Annotation [C21H23F2NO2]+, Rule of HR False"
+360.17233	1786570
+
+NAME: Fenarimol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2638.9
+PRECURSORMZ: 330.03189
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H12Cl2N2O
+INCHIKEY: NHOWDZOIZKMVAI-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 82
+71.08549	670201	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+74.01504	595705	"Theoretical m/z 74.015103, Mass diff 0 (0.85 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02291	2925243	"Theoretical m/z 75.022928, Mass diff 0 (0.23 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-3H]+, Rule of HR True"
+76.03072	1037844	"Theoretical m/z 76.030753, Mass diff 0 (0.43 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03851	1107208	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-H]+, Rule of HR True"
+79.02904	4816816	"Theoretical m/z 79.029071, Mass diff 0 (0.4 ppm), SMILES N1=CN=CC=C1, Annotation [C4H4N2-H]+, Rule of HR True"
+80.03684	1462167
+85.10114	869828	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.0229	834179	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.0307	1284801	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+93.03348	775182	"Theoretical m/z 93.03404, Mass diff 0 (0 ppm), Formula C6H5O"
+93.06986	820052	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+93.52684	1717461
+94.53465	615485
+97.10116	667022	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+102.04637	776070	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+107.02391	22439006	"Theoretical m/z 107.023988, Mass diff 0 (0.73 ppm), SMILES OCC1=CN=CN=C1, Annotation [C5H6N2O-3H]+, Rule of HR True"
+108.02724	2163833
+110.99952	3475377	"Theoretical m/z 110.999607, Mass diff 0 (0.78 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.00736	4267396
+112.99651	2228168
+114.00442	1790463
+128.04933	815041	"Theoretical m/z 128.050024, Mass diff 0 (0 ppm), Formula C9H6N"
+128.06189	870423	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.04456	1195002	"Theoretical m/z 129.045273, Mass diff 0 (0 ppm), Formula C8H5N2"
+129.06973	1210518	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+137.01562	625914	"Theoretical m/z 137.015252, Mass diff 0 (2.68 ppm), SMILES C=1C=C(C=CC=1CC)Cl, Annotation [C8H9Cl-3H]+, Rule of HR True"
+138.99442	53122348	"Theoretical m/z 138.994516, Mass diff 0 (0.69 ppm), SMILES OCC1=CC=C(C=C1)Cl, Annotation [C7H7ClO-3H]+, Rule of HR True"
+139.00557	4566163	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+139.99773	4070888
+140.99139	17512968
+141.9948	1202613
+148.00726	582654
+150.04634	1234035
+151.05408	1178591	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06195	3887622
+153.06525	646410
+163.05403	1208434	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.0618	875885
+174.01038	595067	"Theoretical m/z 174.010497, Mass diff 0 (0.67 ppm), SMILES N=CC(=C)CC1=CC=C(C=C1)Cl, Annotation [C10H10ClN-5H]+, Rule of HR True"
+176.06201	1447263	"Theoretical m/z 176.0626, Mass diff 0 (0 ppm), Formula C14H8"
+178.07756	557706	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+183.05521	2459753	"Theoretical m/z 183.055292, Mass diff 0 (0.45 ppm), SMILES OC(C1=CN=CN=C1)C2=CC=CC=C2, Annotation [C11H10N2O-3H]+, Rule of HR True"
+186.04642	651930
+187.05409	2928918	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+188.06192	1831976
+189.06975	3665449	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+190.02902	1574258	"Theoretical m/z 190.029232, Mass diff 0 (1.12 ppm), SMILES N=CN=CCCC1=CC=C(C=C1)Cl, Annotation [C10H11ClN2-4H]+, Rule of HR False"
+190.07307	601008
+191.0369	7709706	"Theoretical m/z 191.037057, Mass diff 0 (0.82 ppm), SMILES N=CN=CCCC1=CC=C(C=C1)Cl, Annotation [C10H11ClN2-3H]+, Rule of HR True"
+192.04022	1142713
+193.03403	2492507
+199.03084	687335	"Theoretical m/z 199.030908, Mass diff 0 (0.34 ppm), SMILES C1=CC=C(C=C1)CC2=CC=CC=C2Cl, Annotation [C13H11Cl-3H]+, Rule of HR True"
+212.04919	545306	"Theoretical m/z 212.050024, Mass diff 0 (0 ppm), Formula C16H6N"
+214.06502	1904794	"Theoretical m/z 214.065674, Mass diff 0 (0 ppm), Formula C16H8N"
+215.0256	937784	"Theoretical m/z 215.025827, Mass diff 0 (1.05 ppm), SMILES OC(C1=CC=CC=C1)C2=CC=CC=C2Cl, Annotation [C13H11ClO-3H]+, Rule of HR True"
+217.01633	776094	"Theoretical m/z 217.016865, Mass diff 0 (0 ppm), Formula C11H6ClN2O"
+219.03189	21464542	"Theoretical m/z 219.031971, Mass diff 0 (0.37 ppm), SMILES OC(C1=CN=CN=C1)C2=CC=C(C=C2)Cl, Annotation [C11H9ClN2O-H]+, Rule of HR True"
+220.03516	2756768
+221.0289	6879330	"Theoretical m/z 221.024843, Mass diff -0.005 (0 ppm), Formula C8H11Cl2N2O"
+222.03212	972017
+223.03075	2085457	"Theoretical m/z 223.030898, Mass diff 0 (0.66 ppm), SMILES C=CC(C1=CC=CC=C1)C2=CC=CC=C2Cl, Annotation [C15H13Cl-5H]+, Rule of HR True"
+225.02766	769996	"Theoretical m/z 225.023781, Mass diff -0.004 (0 ppm), Formula C12H11Cl2"
+242.08371	878355
+243.09196	935972	"Theoretical m/z 243.091668, Mass diff 0 (1.2 ppm), SMILES N1=CN=CC(=C1)C(C2=CC=CC=C2)C=3C=CC=CC=3, Annotation [C17H14N2-3H]+, Rule of HR True"
+250.04166	845536	"Theoretical m/z 250.041808, Mass diff 0 (0.59 ppm), SMILES N=CC(=C)C(C1=CC=CC=C1)C2=CC=CC=C2Cl, Annotation [C16H14ClN-5H]+, Rule of HR True"
+251.00234	22635662	"Theoretical m/z 251.002491, Mass diff 0 (0.6 ppm), SMILES OC(C1=CC=C(C=C1)Cl)C2=CC=CC=C2Cl, Annotation [C13H10Cl2O-H]+, Rule of HR True"
+252.00565	3326096
+252.99931	14305152
+254.00264	1975343
+254.99631	2496820
+277.0527	1290393	"Theoretical m/z 277.052698, Mass diff 0 (0.01 ppm), SMILES N1=CN=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3Cl, Annotation [C17H13ClN2-3H]+, Rule of HR True"
+278.06149	589169
+279.0687	973641	"Theoretical m/z 279.068348, Mass diff 0 (1.26 ppm), SMILES N1=CN=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3Cl, Annotation [C17H13ClN2-H]+, Rule of HR True"
+295.06323	7863919	"Theoretical m/z 295.063282, Mass diff 0 (0.18 ppm), SMILES OC(C1=CN=CN=C1)(C2=CC=CC=C2)C3=CC=CC=C3Cl, Annotation [C17H13ClN2O-H]+, Rule of HR True"
+296.06662	1564646
+297.06018	2637744
+313.02911	826499	"Theoretical m/z 313.029377, Mass diff 0 (0.85 ppm), SMILES N1=CN=CC(=C1)C(C2=CC=C(C=C2)Cl)C3=CC=CC=C3Cl, Annotation [C17H12Cl2N2-H]+, Rule of HR True"
+330.03189	4892489	"Theoretical m/z 330.032105, Mass diff 0 (0.65 ppm), SMILES OC(C1=CN=CN=C1)(C2=CC=C(C=C2)Cl)C3=CC=CC=C3Cl, Annotation [C17H12Cl2N2O]+, Rule of HR False"
+331.0351	1080556
+332.02896	3088452
+333.03244	592646
+
+NAME: Fluquinconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2744.9
+PRECURSORMZ: 347.8204
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H8Cl2FN5O
+INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 36
+81.01358	1289057	"Theoretical m/z 81.014053, Mass diff 0 (0 ppm), Formula C5H2F"
+94.02142	1609255
+100.0182	1968195	"Theoretical m/z 100.018724, Mass diff 0 (0 ppm), Formula C7H2N"
+108.02444	12140298	"Theoretical m/z 108.0244, Mass diff 0 (0.37 ppm), SMILES FC=1C=CC(N)=CC=1, Annotation [C6H6FN-3H]+, Rule of HR True"
+108.98404	3040830	"Theoretical m/z 108.983957, Mass diff 0 (0.76 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+123.99493	4653508	"Theoretical m/z 123.994851, Mass diff 0 (0.63 ppm), SMILES NC1=CC=C(C=C1)Cl, Annotation [C6H6ClN-3H]+, Rule of HR True"
+125.99193	1613372
+132.96063	1704872	"Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2"
+134.02748	2541698
+134.95766	1435434
+153.49156	1304755
+162.02245	1596435	"Theoretical m/z 162.022391, Mass diff 0 (0.37 ppm), SMILES O=C1NC=NC=2C=CC(F)=CC1=2, Annotation [C8H5FN2O-2H]+, Rule of HR False"
+163.03024	2315931	"Theoretical m/z 163.030216, Mass diff 0 (0.15 ppm), SMILES O=C1NC=NC=2C=CC(F)=CC1=2, Annotation [C8H5FN2O-H]+, Rule of HR True"
+170.01967	1593242	"Theoretical m/z 170.01728, Mass diff -0.003 (0 ppm), Formula C8H6ClFN"
+170.96376	1786652	"Theoretical m/z 170.963711, Mass diff 0 (0.29 ppm), SMILES C1=CC(=CC(=C1NC)Cl)Cl, Annotation [C7H7Cl2N-4H]+, Rule of HR False"
+172.96089	1719086
+244.02005	3025268	"Theoretical m/z 244.019867, Mass diff -0.001 (0 ppm), Formula C16H3FNO"
+258.02319	1872765
+263.0491	1302540	"Theoretical m/z 263.049977, Mass diff 0 (0 ppm), Formula C12H9ClFN4"
+272.01474	8430260	"Theoretical m/z 272.014716, Mass diff 0 (0.09 ppm), SMILES O=C1C=3C=C(F)C=CC=3(N=CN1C2=CC=C(C=C2)Cl), Annotation [C14H8ClFN2O-2H]+, Rule of HR False"
+274.01181	2714389	"Theoretical m/z 274.016513, Mass diff 0.004 (0 ppm), Formula C14HFN5O"
+278.06003	2173287
+286.01794	9264219	"Theoretical m/z 286.017785, Mass diff 0 (0.54 ppm), SMILES O=C1C=3C=C(F)C=CC=3(N=C(N)N1C2=CC=C(C=C2)Cl), Annotation [C14H9ClFN3O-3H]+, Rule of HR True"
+288.01489	2915285	"Theoretical m/z 288.01067, Mass diff -0.005 (0 ppm), Formula C11H9Cl2FN3O"
+298.01807	18740878	"Theoretical m/z 298.017791, Mass diff 0 (0.94 ppm), SMILES O=C1C=3C=C(F)C=CC=3(N=C(NC)N1C2=CC=C(C=C2)Cl), Annotation [C15H11ClFN3O-5H]+, Rule of HR True"
+299.02152	2915475
+300.01508	6215115
+306.9837	2154262	"Theoretical m/z 306.98357, Mass diff 0 (0.42 ppm), SMILES O=C1C=3C=C(F)C=CC=3(N=CN1C=2C=CC(=CC=2Cl)Cl), Annotation [C14H7Cl2FN2O-H]+, Rule of HR True"
+308.98074	1457014	"Theoretical m/z 308.974619, Mass diff -0.007 (0 ppm), Formula C12H4Cl2FN4O"
+313.02875	16573859	"Theoretical m/z 313.02868, Mass diff 0 (0.22 ppm), SMILES O=C1C=3C=C(F)C=CC=3(N=C(NC=N)N1C2=CC=C(C=C2)Cl), Annotation [C15H10ClFN4O-3H]+, Rule of HR True"
+314.03241	2695700
+315.02573	5301050	"Theoretical m/z 315.020427, Mass diff -0.006 (0 ppm), Formula C15H9Cl2N4"
+340.03989	124717632	"Theoretical m/z 340.0396, Mass diff 0 (0.85 ppm), SMILES O=C2C=4C=C(F)C=CC=4(N=C(N1N=CN=C1)N2C3=CC=C(C=C3)Cl), Annotation [C16H9ClFN5O-H]+, Rule of HR True"
+341.04352	20615764
+342.03674	39894556
+343.04047	6504804
+
+NAME: Flusilazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2204.8
+PRECURSORMZ: 315.10016
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H15F2N3Si
+INCHIKEY: FQKUGOMFVDPBIZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 45
+77.03853	1158263	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+89.03851	1002387	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+90.04638	1401026	"Theoretical m/z 90.04695, Mass diff 0 (0 ppm), Formula C7H6"
+91.05421	2696071	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+109.04477	1402735	"Theoretical m/z 109.045353, Mass diff 0 (0 ppm), Formula C7H6F"
+123.00593	3160621	"Theoretical m/z 123.00663, Mass diff 0 (0 ppm), Formula C6H4FSi"
+128.02734	4238068	"Theoretical m/z 128.024872, Mass diff -0.003 (0 ppm), Formula C7H2N3"
+137.0152	1247905	"Theoretical m/z 137.013973, Mass diff -0.002 (0 ppm), Formula C9HN2"
+139.03723	2350812	"Theoretical m/z 139.037387, Mass diff 0 (1.13 ppm), SMILES FC1=CC=C(C=C1)[Si]C, Annotation [C7H9FSi-H]+, Rule of HR True"
+150.04636	3303032	"Theoretical m/z 150.04675, Mass diff 0 (0 ppm), Formula C7H5FN3"
+151.05409	5032029	"Theoretical m/z 151.054775, Mass diff 0 (0 ppm), Formula C12H7"
+152.06194	7226126	"Theoretical m/z 152.0624, Mass diff 0 (0 ppm), Formula C7H7FN3"
+153.06526	1725950
+155.03217	9296184	"Theoretical m/z 155.031702, Mass diff -0.001 (0 ppm), Formula C10H7Si"
+156.03548	1105660
+162.97023	1153571
+163.05412	1246724	"Theoretical m/z 163.054775, Mass diff 0 (0 ppm), Formula C13H7"
+164.06184	1611630	"Theoretical m/z 164.0624, Mass diff 0 (0 ppm), Formula C8H7FN3"
+165.06984	8603766	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.01794	1684393
+166.07315	1905300
+170.05244	1542567	"Theoretical m/z 170.052979, Mass diff 0 (0 ppm), Formula C7H6F2N3"
+173.98109	2400518	"Theoretical m/z 173.980001, Mass diff -0.002 (0 ppm), Formula C11NSi"
+179.06032	1275898	"Theoretical m/z 179.060923, Mass diff 0 (0 ppm), Formula C12H7N2"
+183.06041	3027305	"Theoretical m/z 183.061003, Mass diff 0 (0 ppm), Formula C13H8F"
+200.98676	5601740
+204.03232	2087135
+206.05437	28165986	"Theoretical m/z 206.054432, Mass diff 0 (0.3 ppm), SMILES FC1=CC=C(C=C1)[Si]CN2N=CN=C2, Annotation [C9H10FN3Si-H]+, Rule of HR True"
+207.05768	3096774
+208.05113	1056410
+213.05292	1041774	"Theoretical m/z 213.053033, Mass diff 0 (0.53 ppm), SMILES FC1=CC=C(C=C1)[Si](C2=CC=CC=C2)C, Annotation [C13H13FSi-3H]+, Rule of HR True"
+217.02795	2767585	"Theoretical m/z 217.027963, Mass diff 0 (0.06 ppm), SMILES FC1=CC=C(C=C1)[Si]C2=CC=C(F)C=C2, Annotation [C12H10F2Si-3H]+, Rule of HR True"
+219.04353	3066975	"Theoretical m/z 219.043613, Mass diff 0 (0.38 ppm), SMILES FC1=CC=C(C=C1)[Si]C2=CC=C(F)C=C2, Annotation [C12H10F2Si-H]+, Rule of HR True"
+220.07004	9147304	"Theoretical m/z 220.070072, Mass diff 0 (0.14 ppm), SMILES FC1=CC=C(C=C1)[Si](C)CN2N=CN=C2, Annotation [C10H12FN3Si-H]+, Rule of HR True"
+224.06485	5380861	"Theoretical m/z 224.064399, Mass diff -0.001 (0 ppm), Formula C12H10N3Si"
+231.04362	2915397	"Theoretical m/z 231.043603, Mass diff 0 (0.07 ppm), SMILES FC1=CC=C(C=C1)[Si](C2=CC=C(F)C=C2)C, Annotation [C13H12F2Si-3H]+, Rule of HR True"
+233.05914	100236896	"Theoretical m/z 233.059253, Mass diff 0 (0.49 ppm), SMILES FC1=CC=C(C=C1)[Si](C2=CC=C(F)C=C2)C, Annotation [C13H12F2Si-H]+, Rule of HR True"
+234.0631	12091318
+235.05589	4936842
+246.06699	4185578
+251.06963	9236836	"Theoretical m/z 251.06923, Mass diff -0.001 (0 ppm), Formula C16H12FSi"
+252.07362	1165000
+300.07614	4710592	"Theoretical m/z 300.076313, Mass diff 0 (0.58 ppm), SMILES FC1=CC=C(C=C1)[Si](C2=CC=C(F)C=C2)CN3N=CN=C3, Annotation [C15H13F2N3Si-H]+, Rule of HR True"
+314.09168	8096411	"Theoretical m/z 314.092505, Mass diff 0 (0 ppm), Formula C16H14F2N3Si"
+315.10016	3931112
+
+NAME: Flutriafol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2126.7
+PRECURSORMZ: 296.14093
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H13F2N3O
+INCHIKEY: JWUCHKBSVLQQCO-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 27
+71.08549	940191	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+75.02293	2870467	"Theoretical m/z 75.022928, Mass diff 0 (0.03 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-3H]+, Rule of HR True"
+82.03996	8296118	"Theoretical m/z 82.039974, Mass diff 0 (0.17 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04773	9368567
+94.02133	618521	"Theoretical m/z 94.02133, Mass diff 0 (0 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F-2H]+, Rule of HR False"
+95.02912	5892988	"Theoretical m/z 95.029155, Mass diff 0 (0.37 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F-H]+, Rule of HR True"
+96.03693	864981	"Theoretical m/z 96.03698, Mass diff 0 (0.52 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F]+, Rule of HR False"
+109.04479	1862757	"Theoretical m/z 109.044803, Mass diff 0 (0.12 ppm), SMILES FC1=CC=C(C=C1)C, Annotation [C7H7F-H]+, Rule of HR True"
+113.03971	976486	"Theoretical m/z 113.040268, Mass diff 0 (0 ppm), Formula C6H6FO"
+123.02395	60428452	"Theoretical m/z 123.024072, Mass diff 0 (0.99 ppm), SMILES FC1=CC=C(C=C1)CO, Annotation [C7H7FO-3H]+, Rule of HR True"
+124.02734	3755203
+138.04747	1497797	"Theoretical m/z 138.047553, Mass diff 0 (0.6 ppm), SMILES FC1=CC=C(C=C1)C(O)C, Annotation [C8H9FO-2H]+, Rule of HR False"
+164.06172	30301746	"Theoretical m/z 164.0624, Mass diff 0 (0 ppm), Formula C8H7FN3"
+165.06522	3234874
+169.04459	875485	"Theoretical m/z 169.045353, Mass diff 0 (0 ppm), Formula C12H6F"
+170.05254	3336211	"Theoretical m/z 170.052979, Mass diff 0 (0 ppm), Formula C7H6F2N3"
+177.04651	721854	"Theoretical m/z 177.045867, Mass diff 0.001 (3.63 ppm), SMILES FC1=CC=C(C=C1)C(O)CNC=N, Annotation [C9H11FN2O-5H]+, Rule of HR True"
+178.05429	1774418
+179.04359	691676	"Theoretical m/z 179.04208, Mass diff -0.002 (0 ppm), Formula C9H5F2N2"
+183.06041	879355	"Theoretical m/z 183.060449, Mass diff 0 (0.21 ppm), SMILES FC1=CC=CC=C1CC2=CC=CC=C2, Annotation [C13H11F-3H]+, Rule of HR True"
+188.04314	844864
+198.04746	676295	"Theoretical m/z 198.047543, Mass diff 0 (0.42 ppm), SMILES FC1=CC=CC=C1C(O)C2=CC=CC=C2, Annotation [C13H11FO-4H]+, Rule of HR False"
+201.05093	2272442	"Theoretical m/z 201.051034, Mass diff 0 (0.52 ppm), SMILES FC1=CC=C(C=C1)CC2=CC=CC=C2(F), Annotation [C13H10F2-3H]+, Rule of HR True"
+213.99322	836998
+214.05864	693542
+219.06151	25785398	"Theoretical m/z 219.061603, Mass diff 0 (0.43 ppm), SMILES FC1=CC=C(C=C1)C(O)C2=CC=CC=C2(F), Annotation [C13H10F2O-H]+, Rule of HR True"
+220.06482	3504351
+
+NAME: Hexaconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2125.5
+PRECURSORMZ: 281.05115
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H17Cl2N3O
+INCHIKEY: STMIIPIFODONDC-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 78
+70.07771	471299	"Theoretical m/z 70.077704, Mass diff 0 (0.09 ppm), SMILES CCCCC, Annotation [C5H12-2H]+, Rule of HR False"
+71.08552	961984	"Theoretical m/z 71.085529, Mass diff 0 (0.13 ppm), SMILES CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+75.02294	882875	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+82.03997	20313164	"Theoretical m/z 82.039974, Mass diff 0 (0.05 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04775	16717919
+84.05115	988773
+85.06477	386637	"Theoretical m/z 85.06479, Mass diff 0 (0.24 ppm), SMILES OCCCCC, Annotation [C5H12O-3H]+, Rule of HR True"
+85.10116	1229440	"Theoretical m/z 85.101177, Mass diff 0 (0.2 ppm), SMILES CCCCCC, Annotation [C6H14-H]+, Rule of HR True"
+89.03855	1335250	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+95.02914	538451
+99.02286	766326	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+102.04638	381530	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+108.98395	1108567	"Theoretical m/z 108.983957, Mass diff 0 (0.06 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.04481	1250968
+109.99175	451810
+110.99957	1898976	"Theoretical m/z 110.999607, Mass diff 0 (0.33 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.00744	739131
+113.03984	477809	"Theoretical m/z 113.039125, Mass diff -0.001 (0 ppm), Formula C9H5"
+114.04648	390690
+115.05421	910209	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+124.02737	999879	"Theoretical m/z 124.027765, Mass diff 0 (0 ppm), Formula C2H7ClN3O"
+125.01522	2707896	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+127.01228	773756
+131.04913	563812	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+136.00746	958524
+138.0475	501251
+139.00568	2290502	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+141.00276	668055
+142.07767	517245
+143.08553	890580	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.96062	594453	"Theoretical m/z 144.960636, Mass diff 0 (0.11 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2-H]+, Rule of HR True"
+146.97621	2553312	"Theoretical m/z 146.976286, Mass diff 0 (0.52 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2+H]+, Rule of HR True"
+148.97333	1923372
+149.01529	522053	"Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl"
+153.01007	514209	"Theoretical m/z 153.010717, Mass diff 0 (0 ppm), Formula C8H6ClO"
+158.97629	8857726	"Theoretical m/z 158.976276, Mass diff 0 (0.09 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+159.97957	612653
+160.97331	5680816
+161.97658	647788
+162.97035	1317060
+167.08542	404691	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+170.9762	911401	"Theoretical m/z 170.976281, Mass diff 0 (0.48 ppm), SMILES C1=CC(=CC(=C1CC)Cl)Cl, Annotation [C8H8Cl2-3H]+, Rule of HR True"
+172.95563	9107831	"Theoretical m/z 172.955545, Mass diff 0 (0.49 ppm), SMILES OCC=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O-3H]+, Rule of HR True"
+173.95894	621762
+174.97119	14626509	"Theoretical m/z 174.971195, Mass diff 0 (0.03 ppm), SMILES OCC=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O-H]+, Rule of HR True"
+175.97452	959477
+176.96823	6557888
+177.97156	405001
+178.05431	1892483
+178.96526	809461
+179.04352	695831
+180.05133	578819
+184.9919	599997	"Theoretical m/z 184.991937, Mass diff 0 (0.2 ppm), SMILES C1=CC(=CC(=C1C(C)C)Cl)Cl, Annotation [C9H10Cl2-3H]+, Rule of HR True"
+186.98891	1136936
+187.97896	661225	"Theoretical m/z 187.979025, Mass diff 0 (0.35 ppm), SMILES OC(C=1C=CC(=CC=1Cl)Cl)C, Annotation [C8H8Cl2O-2H]+, Rule of HR False"
+188.04312	655342
+188.98666	1704852	"Theoretical m/z 188.98685, Mass diff 0 (1.01 ppm), SMILES OC(C=1C=CC(=CC=1Cl)Cl)C, Annotation [C8H8Cl2O-H]+, Rule of HR True"
+189.97614	446378
+190.98387	617181
+213.02324	1797212	"Theoretical m/z 213.023233, Mass diff 0 (0.03 ppm), SMILES C1=CC(=CC(=C1CCCCC)Cl)Cl, Annotation [C11H14Cl2-3H]+, Rule of HR True"
+213.9933	37508360
+214.99651	4488483
+215.02019	1003246
+215.9904	23643660
+216.99362	2609010
+217.98744	3763424
+220.06488	694840
+231.03383	9815807	"Theoretical m/z 231.033802, Mass diff 0 (0.12 ppm), SMILES OC(C=1C=CC(=CC=1Cl)Cl)CCCC, Annotation [C11H14Cl2O-H]+, Rule of HR True"
+232.03711	1120655
+233.03084	6273470
+234.03398	740520
+235.02791	981650
+256.00375	5845720	"Theoretical m/z 256.003894, Mass diff 0 (0.56 ppm), SMILES OC(C=1C=CC(=CC=1Cl)Cl)CN2N=CN=C2, Annotation [C10H9Cl2N3O-H]+, Rule of HR True"
+257.00714	679775
+258.00092	3617490
+259.00458	388104
+259.99802	502557
+278.10553	1078804	"Theoretical m/z 278.105457, Mass diff 0 (0.26 ppm), SMILES OC(C=1C=CC=CC=1Cl)(CN2N=CN=C2)CCCC, Annotation [C14H18ClN3O-H]+, Rule of HR True"
+
+NAME: Nuarimol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2440.1
+PRECURSORMZ: 314.0614
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H12ClFN2O
+INCHIKEY: SAPGTCDSBGMXCD-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 102
+74.01505	554866	"Theoretical m/z 74.015103, Mass diff 0 (0.71 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-4H]+, Rule of HR False"
+75.02291	3019464	"Theoretical m/z 75.022928, Mass diff 0 (0.23 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-3H]+, Rule of HR True"
+76.0307	531990	"Theoretical m/z 76.030753, Mass diff 0 (0.69 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-2H]+, Rule of HR False"
+77.03852	487245	"Theoretical m/z 77.038578, Mass diff 0 (0.75 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-H]+, Rule of HR True"
+79.02904	4850430	"Theoretical m/z 79.029071, Mass diff 0 (0.4 ppm), SMILES N1=CN=CC=C1, Annotation [C4H4N2-H]+, Rule of HR True"
+80.03685	1450963
+85.02601	1144187
+85.10114	503153	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+87.0229	425903	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+88.0307	454083	"Theoretical m/z 88.0313, Mass diff 0 (0 ppm), Formula C7H4"
+93.03346	667561	"Theoretical m/z 93.03404, Mass diff 0 (0 ppm), Formula C6H5O"
+93.06987	604295	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+93.52683	769626
+94.02132	448066
+95.02908	2844297	"Theoretical m/z 95.029155, Mass diff 0 (0.79 ppm), SMILES FC1=CC=CC=C1, Annotation [C6H5F-H]+, Rule of HR True"
+96.03691	695908
+98.03616	488356
+103.52988	1024818
+104.06198	466403	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06986	485936	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+107.02392	23990402	"Theoretical m/z 107.023988, Mass diff 0 (0.64 ppm), SMILES OCC1=CN=CN=C1, Annotation [C5H6N2O-3H]+, Rule of HR True"
+108.02721	1680102
+110.9995	1719322	"Theoretical m/z 110.999607, Mass diff 0 (0.96 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.00734	4597122
+112.99649	1374069
+113.03954	770367	"Theoretical m/z 113.040268, Mass diff 0 (0 ppm), Formula C6H6FO"
+114.00442	1719256
+120.03691	897357
+123.02393	17954754	"Theoretical m/z 123.024072, Mass diff 0 (1.15 ppm), SMILES FC1=CC=C(C=C1)CO, Annotation [C7H7FO-3H]+, Rule of HR True"
+124.02734	1236054
+129.0446	751876	"Theoretical m/z 129.045273, Mass diff 0 (0 ppm), Formula C8H5N2"
+129.06975	862214	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.02908	566320	"Theoretical m/z 131.029159, Mass diff 0 (0.6 ppm), SMILES FC1=CC=C(C=C1)CC=C, Annotation [C9H9F-5H]+, Rule of HR True"
+131.0854	372047	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+132.03682	670650
+133.04468	478919	"Theoretical m/z 133.044809, Mass diff 0 (0.97 ppm), SMILES FC1=CC=C(C=C1)CC=C, Annotation [C9H9F-3H]+, Rule of HR True"
+138.99442	36646700	"Theoretical m/z 138.994516, Mass diff 0 (0.69 ppm), SMILES OCC1=CC=CC=C1Cl, Annotation [C7H7ClO-3H]+, Rule of HR True"
+139.00558	1940782	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+139.99773	2534118
+140.99139	11951116	"Theoretical m/z 140.990731, Mass diff -0.001 (0 ppm), Formula C7H3ClF"
+141.99483	829671
+147.04768	463992
+148.05551	1105021	"Theoretical m/z 148.055703, Mass diff 0 (1.31 ppm), SMILES FC1=CC=C(C=C1)CCC=N, Annotation [C9H10FN-3H]+, Rule of HR True"
+149.02328	395412
+150.04628	513922
+152.06198	504494
+155.0602	441640
+158.03999	436911	"Theoretical m/z 158.040053, Mass diff 0 (0.4 ppm), SMILES FC1=CC=C(C=C1)CC(=C)C=N, Annotation [C10H10FN-5H]+, Rule of HR True"
+168.03691	589364
+169.04468	642426
+170.0525	4201439
+171.06033	1280596
+174.05873	1099569
+175.06656	8646483	"Theoretical m/z 175.066598, Mass diff 0 (0.22 ppm), SMILES FC1=CC=C(C=C1)CCC=NC=N, Annotation [C10H11FN2-3H]+, Rule of HR True"
+176.06979	1261020
+181.04466	872685	"Theoretical m/z 181.044799, Mass diff 0 (0.77 ppm), SMILES FC1=CC=C(C=C1)CC=2C=CC=CC=2, Annotation [C13H11F-5H]+, Rule of HR True"
+182.05254	525673
+183.06042	2904613	"Theoretical m/z 183.060449, Mass diff 0 (0.16 ppm), SMILES FC1=CC=C(C=C1)CC=2C=CC=CC=2, Annotation [C13H11F-3H]+, Rule of HR True"
+184.06366	442108
+187.05414	1315392	"Theoretical m/z 187.054775, Mass diff 0 (0 ppm), Formula C15H7"
+191.03694	2205668	"Theoretical m/z 191.037057, Mass diff 0 (0.61 ppm), SMILES N=CN=CCCC1=CC=CC=C1Cl, Annotation [C10H11ClN2-3H]+, Rule of HR True"
+193.03407	677239
+194.05252	681852
+196.06815	1049600
+197.05093	395906	"Theoretical m/z 197.051501, Mass diff 0 (0 ppm), Formula C12H6FN2"
+199.0553	877211	"Theoretical m/z 199.055368, Mass diff 0 (0.34 ppm), SMILES FC1=CC=C(C=C1)C(O)C=2C=CC=CC=2, Annotation [C13H11FO-3H]+, Rule of HR True"
+201.04575	790741	"Theoretical m/z 201.046558, Mass diff 0.001 (4.02 ppm), SMILES C1=CC=C(C=C1)CC2=CC=CC=C2Cl, Annotation [C13H11Cl-H]+, Rule of HR True"
+202.05344	553273
+203.06136	20662322	"Theoretical m/z 203.061512, Mass diff 0 (0.75 ppm), SMILES FC1=CC=C(C=C1)C(O)C2=CN=CN=C2, Annotation [C11H9FN2O-H]+, Rule of HR True"
+204.06476	2676294
+205.04477	1554703	"Theoretical m/z 205.044804, Mass diff 0 (0.17 ppm), SMILES FC1=CC=C(C=C1)C(C=C)C=2C=CC=CC=2, Annotation [C15H13F-7H]+, Rule of HR True"
+206.05263	1443941
+207.06041	7018120	"Theoretical m/z 207.060454, Mass diff 0 (0.21 ppm), SMILES FC1=CC=C(C=C1)C(C=C)C=2C=CC=CC=2, Annotation [C15H13F-5H]+, Rule of HR True"
+208.06345	1818213
+209.01149	500756
+217.02136	666124	"Theoretical m/z 217.021478, Mass diff 0 (0.54 ppm), SMILES FC1=CC=C(C=C1)CC2=CC=CC=C2Cl, Annotation [C13H10ClF-3H]+, Rule of HR True"
+219.03189	4831986	"Theoretical m/z 219.031971, Mass diff 0 (0.37 ppm), SMILES OC(C1=CN=CN=C1)C2=CC=CC=C2Cl, Annotation [C11H9ClN2O-H]+, Rule of HR True"
+220.03522	554730
+221.0289	1460259	"Theoretical m/z 221.028179, Mass diff -0.001 (0 ppm), Formula C11H7ClFN2"
+222.07109	502452	"Theoretical m/z 222.071349, Mass diff 0 (1.17 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=CC=CC=2)CC=N, Annotation [C15H14FN-5H]+, Rule of HR True"
+223.05554	372669	"Theoretical m/z 223.055373, Mass diff 0 (0.75 ppm), SMILES FC1=CC=C(C=C1)C(O)(C=C)C=2C=CC=CC=2, Annotation [C15H13FO-5H]+, Rule of HR True"
+232.0556	1186560	"Theoretical m/z 232.055699, Mass diff 0 (0.43 ppm), SMILES FC1=CC=C(C=C1)C(C(=C)C=N)C=2C=CC=CC=2, Annotation [C16H14FN-7H]+, Rule of HR True"
+234.07129	1571405	"Theoretical m/z 234.071349, Mass diff 0 (0.25 ppm), SMILES FC1=CC=C(C=C1)C(C(=C)C=N)C=2C=CC=CC=2, Annotation [C16H14FN-5H]+, Rule of HR True"
+235.03192	35328760	"Theoretical m/z 235.032047, Mass diff 0 (0.54 ppm), SMILES FC1=CC=C(C=C1)C(O)C2=CC=CC=C2Cl, Annotation [C13H10ClFO-H]+, Rule of HR True"
+236.03523	4887810
+237.0289	11317503
+238.03221	1565107
+252.08177	482647	"Theoretical m/z 252.081918, Mass diff 0 (0.59 ppm), SMILES FC1=CC=C(C=C1)C(O)(C(=C)C=N)C=2C=CC=CC=2, Annotation [C16H14FNO-3H]+, Rule of HR True"
+260.07458	531308
+261.08228	1931605	"Theoretical m/z 261.082239, Mass diff 0 (0.16 ppm), SMILES FC1=CC=C(C=C1)C(C2=CN=CN=C2)C=3C=CC=CC=3, Annotation [C17H13FN2-3H]+, Rule of HR True"
+262.0899	883211
+263.09863	372243	"Theoretical m/z 263.097889, Mass diff 0.001 (2.82 ppm), SMILES FC1=CC=C(C=C1)C(C2=CN=CN=C2)C=3C=CC=CC=3, Annotation [C17H13FN2-H]+, Rule of HR True"
+277.07712	493782	"Theoretical m/z 277.078993, Mass diff 0.002 (6.76 ppm), SMILES FC1=CC=C(C=C1)C(O)(C(=C)C)C2=CC=CC=C2Cl, Annotation [C16H14ClFO+H]+, Rule of HR True"
+278.08536	390067
+279.09274	7937537	"Theoretical m/z 279.092823, Mass diff 0 (0.3 ppm), SMILES FC1=CC=C(C=C1)C(O)(C2=CN=CN=C2)C=3C=CC=CC=3, Annotation [C17H13FN2O-H]+, Rule of HR True"
+280.09613	1467844
+297.05896	1448550	"Theoretical m/z 297.058918, Mass diff 0 (0.14 ppm), SMILES FC1=CC=C(C=C1)C(C2=CN=CN=C2)C3=CC=CC=C3Cl, Annotation [C17H12ClFN2-H]+, Rule of HR True"
+313.05356	594315	"Theoretical m/z 313.054394, Mass diff 0 (0 ppm), Formula C17H11ClFN2O"
+314.0614	9149115	"Theoretical m/z 314.061677, Mass diff 0 (0.88 ppm), SMILES FC1=CC=C(C=C1)C(O)(C2=CN=CN=C2)C3=CC=CC=C3Cl, Annotation [C17H12ClFN2O]+, Rule of HR False"
+315.06476	1868459
+316.05862	3051729
+317.06219	622964
+
+NAME: Paclobutrazol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2084
+PRECURSORMZ: 281.05081
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H20ClN3O
+INCHIKEY: RMOGWMIKYWRTKW-LSLKUGRBSA-N
+INCHI: 
+SMILES: CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 52
+70.07766	777223	"Theoretical m/z 70.077704, Mass diff 0 (0.63 ppm), SMILES CC(C)(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+77.0385	1057042	"Theoretical m/z 77.038578, Mass diff 0 (1.01 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+82.03991	4686852	"Theoretical m/z 82.039974, Mass diff 0 (0.78 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+87.04402	327086
+89.03849	3387576	"Theoretical m/z 89.038575, Mass diff 0 (0.96 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04635	802208	"Theoretical m/z 90.046401, Mass diff 0 (0.56 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05416	757170	"Theoretical m/z 91.054226, Mass diff 0 (0.72 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+98.9995	753027	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+101.03849	391656	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+102.04631	728635	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.05413	3810140	"Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7"
+104.06193	465570	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+112.05042	2274769	"Theoretical m/z 112.050541, Mass diff 0 (1.08 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-H]+, Rule of HR True"
+115.05412	584565	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.04933	452874	"Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N"
+117.06974	758120	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+125.01514	26005248	"Theoretical m/z 125.015255, Mass diff 0 (0.92 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.01848	2336147
+127.01213	8615826
+128.01546	733340
+128.06187	920166	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+131.04903	1215365	"Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O"
+132.05682	3377329	"Theoretical m/z 132.057515, Mass diff 0 (0 ppm), Formula C9H8O"
+133.06024	327068
+133.06461	704236
+137.01514	346953	"Theoretical m/z 137.015252, Mass diff 0 (0.82 ppm), SMILES C=1C=C(C=CC=1CC)Cl, Annotation [C8H9Cl-3H]+, Rule of HR True"
+138.02296	5292454
+139.03075	1882017	"Theoretical m/z 139.030903, Mass diff 0 (1.1 ppm), SMILES C=1C=C(C=CC=1CC)Cl, Annotation [C8H9Cl-H]+, Rule of HR True"
+140.01996	1615077
+141.06969	691516	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+149.01515	3578290	"Theoretical m/z 149.015258, Mass diff 0 (0.72 ppm), SMILES C=1C=C(C=CC=1CCC)Cl, Annotation [C9H11Cl-5H]+, Rule of HR True"
+151.01218	1299388
+152.02609	527776	"Theoretical m/z 152.026147, Mass diff 0 (0.38 ppm), SMILES NCCC1=CC=C(C=C1)Cl, Annotation [C8H10ClN-3H]+, Rule of HR True"
+153.03384	461322	"Theoretical m/z 153.033972, Mass diff 0 (0.86 ppm), SMILES NCCC1=CC=C(C=C1)Cl, Annotation [C8H10ClN-2H]+, Rule of HR False"
+164.02599	804393	"Theoretical m/z 164.026153, Mass diff 0 (0.99 ppm), SMILES C=1C=C(C=CC=1CCNC)Cl, Annotation [C9H12ClN-5H]+, Rule of HR True"
+165.01028	321132	"Theoretical m/z 165.010717, Mass diff 0 (0 ppm), Formula C9H6ClO"
+167.02571	10998176	"Theoretical m/z 167.025827, Mass diff 0 (0.7 ppm), SMILES OCCCC1=CC=C(C=C1)Cl, Annotation [C9H11ClO-3H]+, Rule of HR True"
+168.02901	925670
+169.0227	3343408
+170.02605	487824
+179.03694	764076	"Theoretical m/z 179.037057, Mass diff 0 (0.65 ppm), SMILES N=CNCCC1=CC=C(C=C1)Cl, Annotation [C9H11ClN2-3H]+, Rule of HR True"
+191.03691	1115233	"Theoretical m/z 191.037047, Mass diff 0 (0.72 ppm), SMILES N(=CNCCC1=CC=C(C=C1)Cl)C, Annotation [C10H13ClN2-5H]+, Rule of HR True"
+206.04784	820318	"Theoretical m/z 206.047947, Mass diff 0 (0.52 ppm), SMILES N=1C=NN(C=1)CCC2=CC=C(C=C2)Cl, Annotation [C10H10ClN3-H]+, Rule of HR True"
+208.04483	434325
+209.01141	357068	"Theoretical m/z 209.013973, Mass diff 0.002 (0 ppm), Formula C15HN2"
+218.04785	4171030	"Theoretical m/z 218.047952, Mass diff 0 (0.47 ppm), SMILES N=1C=NN(C=1)C(C)CC2=CC=C(C=C2)Cl, Annotation [C11H12ClN3-3H]+, Rule of HR True"
+219.05109	489032
+220.04486	1272641
+236.0583	31913978	"Theoretical m/z 236.058521, Mass diff 0 (0.94 ppm), SMILES OCC(N1N=CN=C1)CC2=CC=C(C=C2)Cl, Annotation [C11H12ClN3O-H]+, Rule of HR True"
+237.06157	4053188
+238.05525	9724929
+239.05855	1252417
+
+NAME: Penconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2037.7
+PRECURSORMZ: 281.05112
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H15Cl2N3
+INCHIKEY: WKBPZYKAUNRMKP-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 48
+75.0229	781707	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+82.03993	1512594	"Theoretical m/z 82.039974, Mass diff 0 (0.53 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+89.03851	1770592	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+99.02286	1231502	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+101.03854	641461	"Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5"
+102.04635	2572725	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+115.05415	2852992	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.062	735470	"Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8"
+122.99947	3844660	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+124.00734	1138949
+124.99654	1810725
+128.06192	1344626	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06972	1719375	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+136.00735	1287412
+137.01517	2984302	"Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl"
+138.00433	818464
+139.01218	1050652
+149.0152	991194	"Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl"
+150.02303	900272
+151.03081	1260510	"Theoretical m/z 151.031453, Mass diff 0 (0 ppm), Formula C9H8Cl"
+157.06343	1391602
+158.9762	51249868	"Theoretical m/z 158.976276, Mass diff 0 (0.48 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+159.97954	3761743
+160.97314	33606048
+161.9765	2667514
+162.97018	5920022
+163.97353	873290
+171.98395	2695599
+172.99194	621594	"Theoretical m/z 172.991932, Mass diff 0 (0.05 ppm), SMILES C1=CC(=CC(=C1CC)Cl)Cl, Annotation [C8H8Cl2-H]+, Rule of HR True"
+173.98108	1713296
+179.06215	693176	"Theoretical m/z 179.062204, Mass diff 0 (0.3 ppm), SMILES C=1C=CC(=C(C=1)C(C)CCC)Cl, Annotation [C11H15Cl-3H]+, Rule of HR True"
+184.99191	778049	"Theoretical m/z 184.991937, Mass diff 0 (0.15 ppm), SMILES C1=CC(=CC(=C1CCC)Cl)Cl, Annotation [C9H10Cl2-3H]+, Rule of HR True"
+185.99968	5883386
+186.98888	961392
+187.99667	3822187
+192.0321	4223768	"Theoretical m/z 192.03285, Mass diff 0 (0 ppm), Formula C9H7ClN3"
+194.02927	1330532
+201.0231	724835	"Theoretical m/z 201.023227, Mass diff 0 (0.63 ppm), SMILES C1=CC(=CC(=C1CCCC)Cl)Cl, Annotation [C10H12Cl2-H]+, Rule of HR True"
+204.0322	1753017	"Theoretical m/z 204.032297, Mass diff 0 (0.47 ppm), SMILES N=1C=NN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C10H10ClN3-3H]+, Rule of HR True"
+206.0479	2957324	"Theoretical m/z 206.047947, Mass diff 0 (0.23 ppm), SMILES N=1C=NN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C10H10ClN3-H]+, Rule of HR True"
+208.04492	870276
+212.98535	4536072
+213.99318	954634	"Theoretical m/z 213.993878, Mass diff 0 (0 ppm), Formula C8H6Cl2N3"
+214.98238	2770725
+248.09474	61993232	"Theoretical m/z 248.094898, Mass diff 0 (0.64 ppm), SMILES N=1C=NN(C=1)CC(C=2C=CC=CC=2Cl)CCC, Annotation [C13H16ClN3-H]+, Rule of HR True"
+249.09804	8792173
+250.09166	19806074
+251.09502	2773022
+
+NAME: Propiconazole_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2404.4
+PRECURSORMZ: 331.11655
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H17Cl2N3O2
+INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 83
+69.06986	374345	"Theoretical m/z 69.069879, Mass diff 0 (0.27 ppm), SMILES CCCCC, Annotation [C5H12-3H]+, Rule of HR True"
+70.07771	108591	"Theoretical m/z 70.077704, Mass diff 0 (0.09 ppm), SMILES CCCCC, Annotation [C5H12-2H]+, Rule of HR False"
+71.08551	246864	"Theoretical m/z 71.085529, Mass diff 0 (0.27 ppm), SMILES CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+72.08886	33454
+75.02293	72094	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+81.06989	56877	"Theoretical m/z 81.069878, Mass diff 0 (0.15 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07772	188511	"Theoretical m/z 82.07825, Mass diff 0 (0 ppm), Formula C6H10"
+83.08549	124321	"Theoretical m/z 83.086075, Mass diff 0 (0 ppm), Formula C6H11"
+84.09336	129143	"Theoretical m/z 84.0939, Mass diff 0 (0 ppm), Formula C6H12"
+85.10116	435326	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.07258	50625	"Theoretical m/z 86.072615, Mass diff 0 (0.41 ppm), SMILES OC(C)CCC, Annotation [C5H12O-2H]+, Rule of HR False"
+87.04408	49693	"Theoretical m/z 87.044053, Mass diff 0 (0.31 ppm), SMILES OCC(O)CC, Annotation [C4H10O2-3H]+, Rule of HR True"
+89.03851	27953	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05424	58124	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.06988	36372	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+97.0648	78188	"Theoretical m/z 97.064789, Mass diff 0 (0.12 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+97.10121	59692	"Theoretical m/z 97.101725, Mass diff 0 (0 ppm), Formula C7H13"
+99.04407	128573	"Theoretical m/z 99.044604, Mass diff 0 (0 ppm), Formula C5H7O2"
+99.11681	115079	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+102.06305	27917
+108.98392	146222	"Theoretical m/z 108.983957, Mass diff 0 (0.34 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99192	59752
+110.98106	83025
+111.1168	121702	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+111.98869	34389
+112.12456	84335
+113.13237	71737	"Theoretical m/z 113.133026, Mass diff 0 (0 ppm), Formula C8H17"
+114.06748	83247
+117.06982	30239	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+118.07772	27283
+122.99961	32219	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+125.13245	21243	"Theoretical m/z 125.133026, Mass diff 0 (0 ppm), Formula C9H17"
+127.07531	26058	"Theoretical m/z 127.075357, Mass diff 0 (0.37 ppm), SMILES O1CC(OC1C)CCC, Annotation [C7H14O2-3H]+, Rule of HR True"
+127.14804	64824
+128.04678	175212
+129.05452	854890
+131.08543	75905	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+136.00728	39586
+137.98663	39426	"Theoretical m/z 137.98773, Mass diff 0.001 (0 ppm), Formula C4H6Cl2N"
+138.99454	122317	"Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO"
+141.06984	24927	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.06245	20461
+144.9605	44289
+146.05731	66395
+146.95763	147665
+147.06512	363193
+149.02318	202908
+153.16408	23730
+158.97627	81515	"Theoretical m/z 158.976276, Mass diff 0 (0.04 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+160.97314	42487
+162.97017	24191	"Theoretical m/z 162.969915, Mass diff -0.001 (0 ppm), Formula C7ClN2O"
+165.07008	40091	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+172.95558	2041850	"Theoretical m/z 172.955545, Mass diff 0 (0.2 ppm), SMILES OCC=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O-3H]+, Rule of HR True"
+173.95895	55413
+174.95261	1562774
+175.14818	29927
+175.95593	43979
+176.94969	189062
+177.95302	25521
+190.96605	548220	"Theoretical m/z 190.966114, Mass diff 0 (0.33 ppm), SMILES OC(O)C=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O2-H]+, Rule of HR True"
+191.96922	55277
+192.96315	405076	"Theoretical m/z 192.96118, Mass diff -0.003 (0 ppm), Formula C10H3Cl2"
+194.96008	72286
+204.03244	23377	"Theoretical m/z 204.032297, Mass diff 0 (0.7 ppm), SMILES N=1C=NN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C10H10ClN3-3H]+, Rule of HR True"
+206.04823	28156	"Theoretical m/z 206.047947, Mass diff 0 (1.38 ppm), SMILES N=1C=NN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C10H10ClN3-H]+, Rule of HR True"
+209.02925	64311
+219.13808	27649
+223.16927	23549
+237.05829	90879	"Theoretical m/z 237.056143, Mass diff -0.003 (0 ppm), Formula C9H15Cl2N2O"
+242.18291	41829
+257.22656	22433
+259.02869	1172930	"Theoretical m/z 259.028705, Mass diff 0 (0.06 ppm), SMILES O1CC(OC1C=2C=CC(=CC=2Cl)Cl)CCC, Annotation [C12H14Cl2O2-H]+, Rule of HR True"
+259.1904	24726
+260.03201	66855
+260.19412	33289
+261.02573	835554
+262.02896	96908
+263.02277	150739
+272.02679	29535
+282.05261	22174	"Theoretical m/z 282.056478, Mass diff 0.003 (0 ppm), Formula C13H14Cl2N3"
+324.98645	25470
+327.25314	51232
+429.0892	39122
+
+NAME: Propiconazole_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2412
+PRECURSORMZ: 306.10004
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H17Cl2N3O2
+INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 44
+67.05418	552821	"Theoretical m/z 67.054775, Mass diff 0 (0 ppm), Formula C5H7"
+68.06202	1030209	"Theoretical m/z 68.062054, Mass diff 0 (0.5 ppm), SMILES CCCCC, Annotation [C5H12-4H]+, Rule of HR False"
+69.06982	3584596	"Theoretical m/z 69.069879, Mass diff 0 (0.85 ppm), SMILES CCCCC, Annotation [C5H12-3H]+, Rule of HR True"
+70.07767	296247	"Theoretical m/z 70.077704, Mass diff 0 (0.48 ppm), SMILES CCCCC, Annotation [C5H12-2H]+, Rule of HR False"
+74.01501	327151	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02289	423811	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+82.03995	412855	"Theoretical m/z 82.039974, Mass diff 0 (0.29 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+85.06477	502707	"Theoretical m/z 85.06479, Mass diff 0 (0.24 ppm), SMILES OC(C)CCC, Annotation [C5H12O-3H]+, Rule of HR True"
+85.10113	405487	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+86.07256	979517	"Theoretical m/z 86.072615, Mass diff 0 (0.64 ppm), SMILES OC(C)CCC, Annotation [C5H12O-2H]+, Rule of HR False"
+99.02284	440748	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+108.98392	1425409	"Theoretical m/z 108.983957, Mass diff 0 (0.34 ppm), SMILES C=1C=CC(=CC=1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+109.99174	640839
+110.98093	740707
+122.99948	723636	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+128.00218	311983	"Theoretical m/z 128.00338, Mass diff 0.001 (0 ppm), Formula C3H8Cl2N"
+128.06192	703160	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+136.00735	454881
+137.98656	670044	"Theoretical m/z 137.98773, Mass diff 0.001 (0 ppm), Formula C4H6Cl2N"
+138.99443	974958	"Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO"
+140.99138	296370
+144.96043	738910	"Theoretical m/z 144.960636, Mass diff 0 (1.42 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2-H]+, Rule of HR True"
+146.97612	958672	"Theoretical m/z 146.976286, Mass diff 0 (1.13 ppm), SMILES C=1C=C(C=C(C=1)Cl)Cl, Annotation [C6H4Cl2+H]+, Rule of HR True"
+148.97328	421393
+158.9762	1238744	"Theoretical m/z 158.976276, Mass diff 0 (0.48 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+160.97322	768016
+162.97041	313978	"Theoretical m/z 162.971745, Mass diff 0.001 (0 ppm), Formula C6H5Cl2O"
+172.95554	27286380	"Theoretical m/z 172.955545, Mass diff 0 (0.03 ppm), SMILES OCC=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O-3H]+, Rule of HR True"
+173.95885	2084001
+174.95248	17524622
+175.95583	1373581
+176.94952	2821346
+190.96594	9788582	"Theoretical m/z 190.966114, Mass diff 0 (0.91 ppm), SMILES OC(O)C=1C=CC(=CC=1Cl)Cl, Annotation [C7H6Cl2O2-H]+, Rule of HR True"
+191.96925	742698
+192.9631	6309526	"Theoretical m/z 192.96118, Mass diff -0.002 (0 ppm), Formula C10H3Cl2"
+193.96643	443129
+194.96013	1008784
+206.04793	605781	"Theoretical m/z 206.047947, Mass diff 0 (0.08 ppm), SMILES N=1C=NN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C10H10ClN3-H]+, Rule of HR True"
+256.00366	275476	"Theoretical m/z 256.003894, Mass diff 0 (0.92 ppm), SMILES OC(C=1C=CC(=CC=1Cl)Cl)CN2N=CN=C2, Annotation [C10H9Cl2N3O-H]+, Rule of HR True"
+259.02862	16228730	"Theoretical m/z 259.028705, Mass diff 0 (0.33 ppm), SMILES O1CC(OC1C=2C=CC(=CC=2Cl)Cl)CCC, Annotation [C12H14Cl2O2-H]+, Rule of HR True"
+260.03195	2049103
+261.0256	10371682
+262.02893	1315964
+263.02258	1715132
+
+NAME: Tebuconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2434.3
+PRECURSORMZ: 294.11774
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C16H22ClN3O
+INCHIKEY: PXMNMQRDXWABCY-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 57
+67.05418	607234	"Theoretical m/z 67.054229, Mass diff 0 (0.73 ppm), SMILES CC(C)(C)C, Annotation [C5H12-5H]+, Rule of HR True"
+70.03995	5693050	"Theoretical m/z 70.039976, Mass diff 0 (0.37 ppm), SMILES N=1C=NNC=1, Annotation [C2H3N3+H]+, Rule of HR True"
+77.03853	1026488	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04639	322875	"Theoretical m/z 78.046403, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05419	387318	"Theoretical m/z 79.054228, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06986	385668	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.03995	5327692	"Theoretical m/z 82.039974, Mass diff 0 (0.29 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04775	4562284
+85.06475	1316042	"Theoretical m/z 85.06479, Mass diff 0 (0.47 ppm), SMILES OCC(C)(C)C, Annotation [C5H12O-3H]+, Rule of HR True"
+85.10114	1544027	"Theoretical m/z 85.101177, Mass diff 0 (0.43 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-H]+, Rule of HR True"
+89.03853	3420965	"Theoretical m/z 89.038575, Mass diff 0 (0.51 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04639	661825	"Theoretical m/z 90.046401, Mass diff 0 (0.12 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05419	763119	"Theoretical m/z 91.054226, Mass diff 0 (0.39 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+98.99954	1153934	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+99.08038	401386	"Theoretical m/z 99.080444, Mass diff 0 (-0.65 ppm), SMILES [OH+]=C1CCCCC1, Annotation [C6H11O]+, Rule of HR True"
+102.04636	335839	"Theoretical m/z 102.046398, Mass diff 0 (0.38 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05417	2872456	"Theoretical m/z 103.054223, Mass diff 0 (0.52 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+113.01512	336836	"Theoretical m/z 113.015257, Mass diff 0 (1.21 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl+H]+, Rule of HR True"
+115.05418	574010	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06979	326450	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+125.01518	27428650	"Theoretical m/z 125.015255, Mass diff 0 (0.6 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.0185	2004723
+127.01217	9155065
+128.0619	1995640	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06973	1886801	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07761	488698
+138.023	2164505
+139.03079	2351902	"Theoretical m/z 139.030903, Mass diff 0 (0.81 ppm), SMILES C=1C=C(C=CC=1CC)Cl, Annotation [C8H9Cl-H]+, Rule of HR True"
+140.02002	945208
+141.0278	1233634
+145.0647	535432	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+150.10251	1154491	"Theoretical m/z 150.102578, Mass diff 0 (0.46 ppm), SMILES N=1C=NN(C=1)CCC(C)(C)C, Annotation [C8H15N3-3H]+, Rule of HR True"
+151.03081	371038	"Theoretical m/z 151.030908, Mass diff 0 (0.65 ppm), SMILES C=1C=C(C=CC=1CCC)Cl, Annotation [C9H11Cl-3H]+, Rule of HR True"
+153.04646	2277470	"Theoretical m/z 153.046558, Mass diff 0 (0.64 ppm), SMILES C=1C=C(C=CC=1CCC)Cl, Annotation [C9H11Cl-H]+, Rule of HR True"
+155.06023	1360103
+162.02301	1040506
+163.03081	5861830	"Theoretical m/z 163.030898, Mass diff 0 (0.54 ppm), SMILES C=1C=C(C=CC=1CCCC)Cl, Annotation [C10H13Cl-5H]+, Rule of HR True"
+164.0342	1407540
+164.11816	539679	"Theoretical m/z 164.118219, Mass diff 0 (0.36 ppm), SMILES N=1C=NN(C=1)CC(C)C(C)(C)C, Annotation [C9H17N3-3H]+, Rule of HR True"
+165.02792	3574452
+165.04649	1641240	"Theoretical m/z 165.046548, Mass diff 0 (0.35 ppm), SMILES C=1C=C(C=CC=1CCCC)Cl, Annotation [C10H13Cl-3H]+, Rule of HR True"
+166.04982	521266
+167.04355	853152
+168.11307	1260663	"Theoretical m/z 168.113132, Mass diff 0 (0.37 ppm), SMILES OC(CN1N=CN=C1)C(C)(C)C, Annotation [C8H15N3O-H]+, Rule of HR True"
+181.04131	500657	"Theoretical m/z 181.041467, Mass diff 0 (0.87 ppm), SMILES OC(C)CCC1=CC=C(C=C1)Cl, Annotation [C10H13ClO-3H]+, Rule of HR True"
+183.03841	334641
+192.03212	704434	"Theoretical m/z 192.03285, Mass diff 0 (0 ppm), Formula C9H7ClN3"
+205.07787	755154	"Theoretical m/z 205.077849, Mass diff 0 (0.1 ppm), SMILES C=1C=C(C=CC=1CCC(C)C(C)C)Cl, Annotation [C13H19Cl-5H]+, Rule of HR True"
+207.09346	2399679	"Theoretical m/z 207.0935, Mass diff 0 (0.19 ppm), SMILES C=1C=C(C=CC=1CCC(C)C(C)C)Cl, Annotation [C13H19Cl-3H]+, Rule of HR True"
+208.09683	446162
+209.0905	673128
+250.074	31522050	"Theoretical m/z 250.074161, Mass diff 0 (0.64 ppm), SMILES OC(CN1N=CN=C1)CCC2=CC=C(C=C2)Cl, Annotation [C12H14ClN3O-H]+, Rule of HR True"
+251.07732	3957559
+252.07097	9784922
+253.07431	1224176
+274.11029	1039882	"Theoretical m/z 274.110559, Mass diff 0 (0.98 ppm), SMILES N=1C=NN(C=1)CC(CCC2=CC=C(C=C2)Cl)C(C)C, Annotation [C15H20ClN3-3H]+, Rule of HR True"
+276.10751	343220
+
+NAME: Tetraconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2000.4
+PRECURSORMZ: 343.69571
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C13H11Cl2F4N3O
+INCHIKEY: LQDARGUHUSPFNL-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 47
+82.03997	1732578	"Theoretical m/z 82.039974, Mass diff 0 (0.05 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+89.03856	1807605	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+99.02293	1455918	"Theoretical m/z 99.023475, Mass diff 0 (0 ppm), Formula C8H3"
+101.0009	1827911	"Theoretical m/z 101.000888, Mass diff 0 (0.11 ppm), SMILES FC(F)C(F)F, Annotation [C2H2F4-H]+, Rule of HR True"
+102.04641	2180031	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+115.05421	1633578	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+122.99954	1947191	"Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl"
+125.01524	2014918	"Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl"
+129.06981	870774	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+136.00745	7076328	"Theoretical m/z 136.007778, Mass diff 0 (0 ppm), Formula C3H4ClFN3"
+137.01523	3412645	"Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl"
+138.00444	2388037
+139.01222	1031605	"Theoretical m/z 139.012609, Mass diff 0 (0 ppm), Formula C5H6ClF2"
+149.01529	2164217	"Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl"
+150.02307	1748540	"Theoretical m/z 150.023428, Mass diff 0 (0 ppm), Formula C4H6ClFN3"
+151.01227	1138894	"Theoretical m/z 151.012609, Mass diff 0 (0 ppm), Formula C6H6ClF2"
+152.00236	1108819	"Theoretical m/z 152.002693, Mass diff 0 (0 ppm), Formula C3H4ClFN3O"
+155.00568	841697	"Theoretical m/z 155.006381, Mass diff 0 (0 ppm), Formula C8H5ClF"
+158.97627	8414278	"Theoretical m/z 158.976276, Mass diff 0 (0.04 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-H]+, Rule of HR True"
+160.97331	5608647	"Theoretical m/z 160.973637, Mass diff 0 (0 ppm), Formula C4H5Cl2F2"
+163.00566	1626878	"Theoretical m/z 163.006301, Mass diff 0 (0 ppm), Formula C8H4ClN2"
+169.02145	1030308	"Theoretical m/z 169.022031, Mass diff 0 (0 ppm), Formula C9H7ClF"
+170.97626	9482360	"Theoretical m/z 170.976281, Mass diff 0 (0.13 ppm), SMILES C1=CC(=CC(=C1CC)Cl)Cl, Annotation [C8H8Cl2-3H]+, Rule of HR True"
+171.98404	2159878	"Theoretical m/z 171.984107, Mass diff 0 (0.39 ppm), SMILES C1=CC(=CC(=C1CC)Cl)Cl, Annotation [C8H8Cl2-2H]+, Rule of HR False"
+172.97339	6383674	"Theoretical m/z 172.973637, Mass diff 0 (0 ppm), Formula C5H5Cl2F2"
+173.98117	1413345
+174.9704	1361189
+183.0791	838764	"Theoretical m/z 183.08099, Mass diff 0.001 (0 ppm), Formula C13H11O"
+184.99199	2360936	"Theoretical m/z 184.991937, Mass diff 0 (0.29 ppm), SMILES C1=CC(=CC(=C1C(C)C)Cl)Cl, Annotation [C9H10Cl2-3H]+, Rule of HR True"
+185.97461	1373520	"Theoretical m/z 185.974666, Mass diff 0 (0 ppm), Formula C10HClNO"
+186.98898	1624848	"Theoretical m/z 186.989287, Mass diff 0 (0 ppm), Formula C6H7Cl2F2"
+187.97162	910047	"Theoretical m/z 187.971473, Mass diff -0.001 (0 ppm), Formula C7HClF2NO"
+190.98244	3624490	"Theoretical m/z 190.983059, Mass diff 0 (0 ppm), Formula C8H6Cl2F"
+191.03702	1100721	"Theoretical m/z 191.037601, Mass diff 0 (0 ppm), Formula C10H8ClN2"
+192.97968	1866486	"Theoretical m/z 192.979865, Mass diff 0 (0 ppm), Formula C5H6Cl2F3"
+204.03232	2570214	"Theoretical m/z 204.032297, Mass diff 0 (0.12 ppm), SMILES N=1C=NN(C=1)CCC=2C=CC=CC=2Cl, Annotation [C10H10ClN3-3H]+, Rule of HR True"
+206.02934	826459	"Theoretical m/z 206.029656, Mass diff 0 (0 ppm), Formula C7H7ClF2N3"
+212.98544	991765	"Theoretical m/z 212.986093, Mass diff 0 (0 ppm), Formula C5H7Cl2F4"
+218.04804	3796232	"Theoretical m/z 218.047952, Mass diff 0 (0.4 ppm), SMILES N=1C=NN(C=1)CC(C=2C=CC=CC=2Cl)C, Annotation [C11H12ClN3-3H]+, Rule of HR True"
+220.045	1117666
+254.02451	3515113	"Theoretical m/z 254.024631, Mass diff 0 (0.48 ppm), SMILES N=1C=NN(C=1)CC(C=2C=CC(=CC=2Cl)Cl)C, Annotation [C11H11Cl2N3-H]+, Rule of HR True"
+256.02154	2055892
+267.01935	3046316	"Theoretical m/z 267.019433, Mass diff 0 (0.31 ppm), SMILES FC(F)C(F)(F)OCC(C=1C=CC=CC=1Cl)C, Annotation [C11H11ClF4O-3H]+, Rule of HR True"
+336.052	81645312
+337.05554	11051118
+338.04883	26127950
+339.0527	3540245
+
+NAME: Triadimenol_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2056.9
+PRECURSORMZ: 283.04742
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H18ClN3O2
+INCHIKEY: BAZVSMNPJJMILC-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 54
+70.03994	5573554	"Theoretical m/z 70.039976, Mass diff 0 (0.51 ppm), SMILES N=1C=NNC=1, Annotation [C2H3N3+H]+, Rule of HR True"
+71.0433	239457
+72.98392	430453	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+73.04674	566755
+75.0229	754606	"Theoretical m/z 75.022928, Mass diff 0 (0.37 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03852	434100	"Theoretical m/z 77.038578, Mass diff 0 (0.75 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05418	435733	"Theoretical m/z 79.054228, Mass diff 0 (0.6 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06985	422642	"Theoretical m/z 81.069878, Mass diff 0 (-0.34 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.03994	373877	"Theoretical m/z 82.039974, Mass diff 0 (0.41 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04771	466221
+84.05562	667667
+84.09332	323733	"Theoretical m/z 84.093352, Mass diff 0 (0.38 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-2H]+, Rule of HR False"
+85.0396	1126299	"Theoretical m/z 85.040188, Mass diff 0 (0 ppm), Formula C3H5N2O"
+98.99955	2313350	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+100.00735	1039654
+100.99662	517532
+102.0044	357497
+110.03487	298080	"Theoretical m/z 110.03489, Mass diff 0 (0.19 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-3H]+, Rule of HR True"
+110.99956	616215	"Theoretical m/z 110.999607, Mass diff 0 (0.42 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-H]+, Rule of HR True"
+112.05045	20693084	"Theoretical m/z 112.050541, Mass diff 0 (0.81 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-H]+, Rule of HR True"
+113.01516	463310	"Theoretical m/z 113.015257, Mass diff 0 (0.86 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl+H]+, Rule of HR True"
+113.05375	1673398
+126.99445	827883	"Theoretical m/z 126.994526, Mass diff 0 (0.59 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO-H]+, Rule of HR True"
+128.00223	15175712	"Theoretical m/z 128.002351, Mass diff 0 (0.94 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO]+, Rule of HR False"
+129.00555	1474989
+129.9993	4895978
+131.00259	356520
+131.0854	326271	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+139.0056	627460	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+141.01001	1329526	"Theoretical m/z 141.010166, Mass diff 0 (1.1 ppm), SMILES O(C1=CC=C(C=C1)Cl)C, Annotation [C7H7ClO-H]+, Rule of HR True"
+143.00713	350436
+147.06543	233733
+150.10248	1612782	"Theoretical m/z 150.102578, Mass diff 0 (0.66 ppm), SMILES N=1C=NN(C=1)CCC(C)(C)C, Annotation [C8H15N3-3H]+, Rule of HR True"
+153.02129	495638	"Theoretical m/z 153.021951, Mass diff 0 (0 ppm), Formula C7H6ClN2"
+154.02895	257340	"Theoretical m/z 154.029289, Mass diff 0 (0 ppm), Formula C10H4NO"
+168.11305	15995738	"Theoretical m/z 168.113132, Mass diff 0 (0.49 ppm), SMILES OC(CN1N=CN=C1)C(C)(C)C, Annotation [C8H15N3O-H]+, Rule of HR True"
+169.00496	558143	"Theoretical m/z 169.00509, Mass diff 0 (0.77 ppm), SMILES OCCOC1=CC=C(C=C1)Cl, Annotation [C8H9ClO2-3H]+, Rule of HR True"
+169.11034	252224	"Theoretical m/z 169.110279, Mass diff -0.001 (0 ppm), Formula C9H15NO2"
+169.11633	1541469
+170.0127	491753	"Theoretical m/z 170.012915, Mass diff 0 (1.27 ppm), SMILES OCCOC1=CC=C(C=C1)Cl, Annotation [C8H9ClO2-2H]+, Rule of HR False"
+171.00198	222963	"Theoretical m/z 171.000153, Mass diff -0.002 (0 ppm), Formula C11H4Cl"
+172.00975	247660
+180.03223	326948	"Theoretical m/z 180.03285, Mass diff 0 (0 ppm), Formula C8H7ClN3"
+181.0162	489388	"Theoretical m/z 181.016321, Mass diff 0 (0.67 ppm), SMILES N=CNCOC1=CC=C(C=C1)Cl, Annotation [C8H9ClN2O-3H]+, Rule of HR True"
+182.02925	230809
+183.05718	447645	"Theoretical m/z 183.057668, Mass diff 0 (0 ppm), Formula C10H12ClO"
+208.02712	1167855	"Theoretical m/z 208.02721, Mass diff 0 (0.43 ppm), SMILES N=1C=NN(C=1)COC2=CC=C(C=C2)Cl, Annotation [C9H8ClN3O-H]+, Rule of HR True"
+209.01158	335330	"Theoretical m/z 209.01123, Mass diff 0 (1.68 ppm), SMILES N=CNC(OC1=CC=C(C=C1)Cl)CO, Annotation [C9H11ClN2O2-5H]+, Rule of HR True"
+210.02412	323230
+211.05194	401232	"Theoretical m/z 211.052041, Mass diff 0 (0.48 ppm), SMILES OC(COC1=CC=C(C=C1)Cl)C(C)C, Annotation [C11H15ClO2-3H]+, Rule of HR True"
+221.08426	268518	"Theoretical m/z 221.084551, Mass diff 0 (0 ppm), Formula C12H14ClN2"
+238.03764	260048	"Theoretical m/z 238.037784, Mass diff 0 (0.61 ppm), SMILES OCC(OC1=CC=C(C=C1)Cl)N2N=CN=C2, Annotation [C10H10ClN3O2-H]+, Rule of HR True"
+281.05096	384385
+355.06964	475338
+
+NAME: Triadimenol_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2070.7
+PRECURSORMZ: 293.17468
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H18ClN3O2
+INCHIKEY: BAZVSMNPJJMILC-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 116
+69.06983	31011	"Theoretical m/z 69.069879, Mass diff 0 (0.71 ppm), SMILES CC(C)(C)C, Annotation [C5H12-3H]+, Rule of HR True"
+70.07768	297883	"Theoretical m/z 70.077704, Mass diff 0 (0.34 ppm), SMILES CC(C)(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+71.04909	17117	"Theoretical m/z 71.049142, Mass diff 0 (0.73 ppm), SMILES OCC(C)C, Annotation [C4H10O-3H]+, Rule of HR True"
+73.02839	42882	"Theoretical m/z 73.028954, Mass diff 0 (0 ppm), Formula C3H5O2"
+75.02293	51576	"Theoretical m/z 75.022928, Mass diff 0 (0.03 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03854	51048	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04639	16245	"Theoretical m/z 78.046403, Mass diff 0 (0.16 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05419	18575	"Theoretical m/z 79.054228, Mass diff 0 (0.48 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06986	24345	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07766	51031	"Theoretical m/z 82.077702, Mass diff 0 (0.51 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-4H]+, Rule of HR False"
+83.08547	20897	"Theoretical m/z 83.085527, Mass diff 0 (0.68 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-3H]+, Rule of HR True"
+84.09334	24526	"Theoretical m/z 84.093352, Mass diff 0 (0.14 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-2H]+, Rule of HR False"
+85.02836	64170	"Theoretical m/z 85.028954, Mass diff 0 (0 ppm), Formula C4H5O2"
+87.04404	22843	"Theoretical m/z 87.044604, Mass diff 0 (0 ppm), Formula C4H7O2"
+89.03853	24431	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05418	66193	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+95.04909	58421	"Theoretical m/z 95.049141, Mass diff 0 (-0.54 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08548	62275	"Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11"
+98.0362	25746
+99.04398	139191
+99.11676	16823	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+100.00736	64326
+100.9966	22257
+102.04638	19994	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+104.06197	60791	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+105.06984	23395	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+110.10888	24101
+111.04414	25138
+111.11675	24716	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+112.05044	1143564	"Theoretical m/z 112.050541, Mass diff 0 (0.9 ppm), SMILES OCCN1N=CN=C1, Annotation [C4H7N3O-H]+, Rule of HR True"
+113.03841	39769	"Theoretical m/z 113.039125, Mass diff 0 (0 ppm), Formula C9H5"
+113.05375	118585
+113.13238	86642	"Theoretical m/z 113.133026, Mass diff 0 (0 ppm), Formula C8H17"
+115.05416	20056	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06977	21914	"Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9"
+119.08546	18047	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+121.0647	29865	"Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O"
+126.06743	31281	"Theoretical m/z 126.06808, Mass diff 0 (0 ppm), Formula C7H10O2"
+127.03885	42921
+127.05402	41393	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.00224	853459	"Theoretical m/z 128.002351, Mass diff 0 (0.86 ppm), SMILES OC1=CC=C(C=C1)Cl, Annotation [C6H5ClO]+, Rule of HR False"
+128.06192	27589	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.00557	76517
+129.06973	51519	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+129.99931	275135
+131.00262	15333
+131.08543	57996	"Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11"
+134.03612	18969	"Theoretical m/z 134.036779, Mass diff 0 (0 ppm), Formula C8H6O2"
+137.13235	16665	"Theoretical m/z 137.133026, Mass diff 0 (0 ppm), Formula C10H17"
+139.00558	52933	"Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"
+139.05414	52327	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+139.07526	55566	"Theoretical m/z 139.075905, Mass diff 0 (0 ppm), Formula C8H11O2"
+140.08298	11537	"Theoretical m/z 140.082387, Mass diff -0.001 (0 ppm), Formula C6H10N3O"
+141.01004	92435	"Theoretical m/z 141.010166, Mass diff 0 (0.89 ppm), SMILES O(C1=CC=C(C=C1)Cl)C, Annotation [C7H7ClO-H]+, Rule of HR True"
+141.0697	146043	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+143.0071	15221
+144.05687	12078	"Theoretical m/z 144.058002, Mass diff 0.001 (0 ppm), Formula C7H11ClN"
+145.0647	20655	"Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O"
+146.07253	14363	"Theoretical m/z 146.073165, Mass diff 0 (0 ppm), Formula C10H10O"
+147.08029	16273	"Theoretical m/z 147.08099, Mass diff 0 (0 ppm), Formula C10H11O"
+149.02324	13808
+150.10243	102464	"Theoretical m/z 150.102578, Mass diff 0 (0.99 ppm), SMILES N=1C=NN(C=1)CCC(C)(C)C, Annotation [C8H15N3-3H]+, Rule of HR True"
+151.02408	17352
+151.07524	13638	"Theoretical m/z 151.075363, Mass diff 0 (-0.82 ppm), SMILES COC1=C(OC)C=C([CH2+])C=C1, Annotation [C9H11O2]+, Rule of HR True"
+153.0213	35499	"Theoretical m/z 153.021951, Mass diff 0 (0 ppm), Formula C7H6ClN2"
+153.06972	41551	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+158.97621	12844	"Theoretical m/z 158.975001, Mass diff -0.002 (0 ppm), Formula C8ClN2"
+160.08812	17677	"Theoretical m/z 160.089302, Mass diff 0.001 (0 ppm), Formula C8H15ClN"
+161.09598	20554	"Theoretical m/z 161.09664, Mass diff 0 (0 ppm), Formula C11H13O"
+164.06187	12605	"Theoretical m/z 164.059065, Mass diff -0.003 (0 ppm), Formula C5H11ClN3O"
+168.11307	970706	"Theoretical m/z 168.113132, Mass diff 0 (0.37 ppm), SMILES OC(CN1N=CN=C1)C(C)(C)C, Annotation [C8H15N3O-H]+, Rule of HR True"
+169.00485	69996	"Theoretical m/z 169.00509, Mass diff 0 (1.42 ppm), SMILES OCCOC1=CC=C(C=C1)Cl, Annotation [C8H9ClO2-3H]+, Rule of HR True"
+169.11639	85442
+170.0127	23999	"Theoretical m/z 170.012915, Mass diff 0 (1.27 ppm), SMILES OCCOC1=CC=C(C=C1)Cl, Annotation [C8H9ClO2-2H]+, Rule of HR False"
+171.01062	30631
+174.06754	28102
+174.10364	22297	"Theoretical m/z 174.103924, Mass diff 0 (1.63 ppm), SMILES O(C1=CC=CC=C1)CCC(C)(C)C, Annotation [C12H18O-4H]+, Rule of HR False"
+175.11159	15838	"Theoretical m/z 175.111749, Mass diff 0 (0.91 ppm), SMILES O(C1=CC=CC=C1)CCC(C)(C)C, Annotation [C12H18O-3H]+, Rule of HR True"
+177.09094	12674	"Theoretical m/z 177.091555, Mass diff 0 (0 ppm), Formula C11H13O2"
+178.07753	13812	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+181.06441	32982	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+181.08556	17517
+181.10098	23295	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+183.05678	17812	"Theoretical m/z 183.057668, Mass diff 0 (0 ppm), Formula C10H12ClO"
+183.08026	15816	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+186.09927	14638
+190.09866	12767
+191.10644	22936	"Theoretical m/z 191.106653, Mass diff 0 (1.11 ppm), SMILES OC(COC1=CC=CC=C1)C(C)(C)C, Annotation [C12H18O2-3H]+, Rule of HR True"
+194.10875	14567	"Theoretical m/z 194.106015, Mass diff -0.003 (0 ppm), Formula C7H17ClN3O"
+196.98492	13270
+199.04239	14929
+199.11166	13967	"Theoretical m/z 199.11229, Mass diff 0 (0 ppm), Formula C14H15O"
+205.1012	14858	"Theoretical m/z 205.097703, Mass diff -0.004 (0 ppm), Formula C11H13N2O2"
+205.12233	13435	"Theoretical m/z 205.122855, Mass diff 0 (0 ppm), Formula C13H17O2"
+207.11676	27720	"Theoretical m/z 207.113353, Mass diff -0.004 (0 ppm), Formula C11H15N2O2"
+210.01102	18515	"Theoretical m/z 210.011052, Mass diff -0.001 (0 ppm), Formula C13H5ClN"
+210.10346	19668	"Theoretical m/z 210.103122, Mass diff -0.001 (0 ppm), Formula C13H12N3"
+210.99068	16773
+211.0753	23833	"Theoretical m/z 211.075842, Mass diff 0.001 (2.57 ppm), SMILES O(C1=CC=C(C=C1)Cl)C(N)CC(C)C, Annotation [C11H16ClNO-2H]+, Rule of HR False"
+225.04276	29936	"Theoretical m/z 225.042535, Mass diff 0 (1 ppm), SMILES OCC(OC1=CC=C(C=C1)Cl)NC=NC, Annotation [C10H13ClN2O2-3H]+, Rule of HR True"
+226.99541	12703
+232.12434	19258
+238.03749	45679	"Theoretical m/z 238.037784, Mass diff 0 (1.24 ppm), SMILES OCC(OC1=CC=C(C=C1)Cl)N2N=CN=C2, Annotation [C10H10ClN3O2-H]+, Rule of HR True"
+238.96753	46343	"Theoretical m/z 238.96483, Mass diff -0.003 (0 ppm), Formula C12ClN2O2"
+240.94694	13418
+242.11723	22833
+248.09468	13129	"Theoretical m/z 248.09545, Mass diff 0 (0 ppm), Formula C13H15ClN3"
+252.98325	61236	"Theoretical m/z 252.98048, Mass diff -0.003 (0 ppm), Formula C13H2ClN2O2"
+254.96223	21968
+268.9783	19818
+270.96698	18716
+299.00693	14375
+411.13229	139426
+412.13275	46888
+413.12875	29185
+415.03662	14564
+
+NAME: Metconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2520.1
+PRECURSORMZ: 319.14459
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H22ClN3O
+INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 126
+69.06984	882078	"Theoretical m/z 69.069879, Mass diff 0 (0.56 ppm), SMILES CCC(C)C, Annotation [C5H12-3H]+, Rule of HR True"
+70.03996	4149192	"Theoretical m/z 70.039976, Mass diff 0 (0.23 ppm), SMILES N=1C=NNC=1, Annotation [C2H3N3+H]+, Rule of HR True"
+71.08549	1409850	"Theoretical m/z 71.085529, Mass diff 0 (0.55 ppm), SMILES CCC(C)C, Annotation [C5H12-H]+, Rule of HR True"
+77.03853	611040	"Theoretical m/z 77.038578, Mass diff 0 (0.62 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05421	811896	"Theoretical m/z 79.054227, Mass diff 0 (0.21 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-7H]+, Rule of HR True"
+82.03995	3954402	"Theoretical m/z 82.039974, Mass diff 0 (0.29 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04777	3650502
+84.09334	401911	"Theoretical m/z 84.093352, Mass diff 0 (0.14 ppm), SMILES CCCC(C)C, Annotation [C6H14-2H]+, Rule of HR False"
+85.10114	934127	"Theoretical m/z 85.101177, Mass diff 0 (0.43 ppm), SMILES CCCC(C)C, Annotation [C6H14-H]+, Rule of HR True"
+86.07256	1959560	"Theoretical m/z 86.072615, Mass diff 0 (0.64 ppm), SMILES OC(C)C(C)C, Annotation [C5H12O-2H]+, Rule of HR False"
+89.03854	2812979	"Theoretical m/z 89.038575, Mass diff 0 (0.4 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04641	541792	"Theoretical m/z 90.046401, Mass diff 0 (0.11 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05421	1258662	"Theoretical m/z 91.054226, Mass diff 0 (0.17 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+93.06988	261231	"Theoretical m/z 93.069877, Mass diff 0 (0.04 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-5H]+, Rule of HR True"
+95.0855	704267	"Theoretical m/z 95.085527, Mass diff 0 (0.28 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-3H]+, Rule of HR True"
+97.06477	1205100	"Theoretical m/z 97.064789, Mass diff 0 (-0.19 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+97.10116	535350	"Theoretical m/z 97.101177, Mass diff 0 (0.17 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-H]+, Rule of HR True"
+98.03622	276018
+98.10452	221839
+98.99955	536152	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+99.11678	351115	"Theoretical m/z 99.116827, Mass diff 0 (0.47 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14+H]+, Rule of HR True"
+100.99662	225875
+102.04637	333693	"Theoretical m/z 102.046398, Mass diff 0 (0.28 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05418	735903	"Theoretical m/z 103.054223, Mass diff 0 (0.42 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+107.08549	2125080	"Theoretical m/z 107.085525, Mass diff 0 (0.32 ppm), SMILES CC1CCCC1(C)(C), Annotation [C8H16-5H]+, Rule of HR True"
+109.10117	343069	"Theoretical m/z 109.101175, Mass diff 0 (0.04 ppm), SMILES CC1CCCC1(C)(C), Annotation [C8H16-3H]+, Rule of HR True"
+110.07109	446339	"Theoretical m/z 110.07127, Mass diff 0 (1.63 ppm), SMILES N=1C=NN(C=1)CCC, Annotation [C5H9N3-H]+, Rule of HR True"
+110.10895	508792
+111.08041	274252	"Theoretical m/z 111.080438, Mass diff 0 (0.25 ppm), SMILES OC1CCCC1(C)(C), Annotation [C7H14O-3H]+, Rule of HR True"
+112.00738	439576
+112.12462	212413
+113.13237	226486	"Theoretical m/z 113.132475, Mass diff 0 (0.93 ppm), SMILES CC1CCCC1(C)(C), Annotation [C8H16+H]+, Rule of HR True"
+114.06756	214888
+115.05418	3375800	"Theoretical m/z 115.054229, Mass diff 0 (0.42 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-5H]+, Rule of HR True"
+116.06198	1397111	"Theoretical m/z 116.062054, Mass diff 0 (0.64 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-4H]+, Rule of HR False"
+117.0698	2307557	"Theoretical m/z 117.069879, Mass diff 0 (0.67 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-3H]+, Rule of HR True"
+118.0776	255978
+125.01519	20764222	"Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+125.09603	4168928	"Theoretical m/z 125.096094, Mass diff 0 (0.51 ppm), SMILES OC1(C)(CCCC1(C)(C)), Annotation [C8H16O-3H]+, Rule of HR True"
+126.01851	1375912
+126.0994	346934
+127.0122	5637092
+127.05401	220404	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06194	1347333	"Theoretical m/z 128.062044, Mass diff 0 (0.81 ppm), SMILES C1=CC=C(C=C1)CCCC, Annotation [C10H14-6H]+, Rule of HR False"
+129.06975	3108183	"Theoretical m/z 129.069869, Mass diff 0 (0.92 ppm), SMILES C1=CC=C(C=C1)CCCC, Annotation [C10H14-5H]+, Rule of HR True"
+130.07764	786665
+131.08543	580613	"Theoretical m/z 131.085519, Mass diff 0 (0.68 ppm), SMILES C1=CC=C(C=C1)CCCC, Annotation [C10H14-3H]+, Rule of HR True"
+138.02298	474211
+138.06613	4327012	"Theoretical m/z 138.066186, Mass diff 0 (0.41 ppm), SMILES OC(CN1N=CN=C1)CC, Annotation [C6H11N3O-3H]+, Rule of HR True"
+139.03081	2219602	"Theoretical m/z 139.030903, Mass diff 0 (0.67 ppm), SMILES C=1C=C(C=CC=1CC)Cl, Annotation [C8H9Cl-H]+, Rule of HR True"
+140.02004	487597
+141.02783	808132
+141.06976	4606048	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07323	697413
+143.08546	345028	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.0569	300115	"Theoretical m/z 144.058002, Mass diff 0.001 (0 ppm), Formula C7H11ClN"
+145.06471	4283698	"Theoretical m/z 145.063453, Mass diff 0.001 (8.66 ppm), SMILES N=1C=NN(C=1)CCC(C)CC, Annotation [C8H15N3-8H]+, Rule of HR False"
+146.06808	259802
+147.08032	649273
+149.02328	211331
+151.03081	1312828	"Theoretical m/z 151.030908, Mass diff 0 (0.65 ppm), SMILES C=1C=C(C=CC=1CCC)Cl, Annotation [C9H11Cl-3H]+, Rule of HR True"
+151.14806	339599	"Theoretical m/z 151.148676, Mass diff 0 (0 ppm), Formula C11H19"
+152.03868	395309
+152.06189	745338	"Theoretical m/z 152.059065, Mass diff -0.003 (0 ppm), Formula C4H11ClN3O"
+152.08159	286154	"Theoretical m/z 152.081842, Mass diff 0 (1.66 ppm), SMILES OC(CN1N=CN=C1)C(C)C, Annotation [C7H13N3O-3H]+, Rule of HR True"
+153.04645	1527358	"Theoretical m/z 153.046558, Mass diff 0 (0.71 ppm), SMILES C=1C=C(C=CC=1CCC)Cl, Annotation [C9H11Cl-H]+, Rule of HR True"
+153.08952	2407912
+154.07758	445458	"Theoretical m/z 154.074715, Mass diff -0.003 (0 ppm), Formula C4H13ClN3O"
+155.08543	883600	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+159.08037	1119865	"Theoretical m/z 159.079103, Mass diff 0.001 (7.96 ppm), SMILES N=1C=NN(C=1)CC2CCCC2(C), Annotation [C9H15N3-6H]+, Rule of HR False"
+162.02293	278901
+163.03082	1638629	"Theoretical m/z 163.030898, Mass diff 0 (0.48 ppm), SMILES C=1C=C(C=CC=1CCCC)Cl, Annotation [C10H13Cl-5H]+, Rule of HR True"
+164.03864	576500
+165.02791	1540915
+165.06976	745901	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07773	325204	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.0257	354659
+167.06212	711822	"Theoretical m/z 167.062198, Mass diff 0 (0.47 ppm), SMILES C=1C=C(C=CC=1CCCC)Cl, Annotation [C10H13Cl-H]+, Rule of HR True"
+167.08543	937760	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+168.03358	312350	"Theoretical m/z 168.033652, Mass diff 0 (0.43 ppm), SMILES OCCCC1=CC=C(C=C1)Cl, Annotation [C9H11ClO-2H]+, Rule of HR False"
+169.101	235590	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+175.03082	647027	"Theoretical m/z 175.030904, Mass diff 0 (0.48 ppm), SMILES C=1C=C(C=CC=1CC(C)CC)Cl, Annotation [C11H15Cl-7H]+, Rule of HR True"
+176.03865	949730
+176.11816	461702	"Theoretical m/z 176.118219, Mass diff 0 (0.33 ppm), SMILES N=1C=NN(C=1)CC2CCCC2(C)(C), Annotation [C10H17N3-3H]+, Rule of HR True"
+177.0464	966272	"Theoretical m/z 177.046554, Mass diff 0 (0.87 ppm), SMILES C=1C=C(C=CC=1CC(C)CC)Cl, Annotation [C11H15Cl-5H]+, Rule of HR True"
+178.03575	462615
+178.0777	524449	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.02573	2162436	"Theoretical m/z 179.025817, Mass diff 0 (0.49 ppm), SMILES OC(C)CCC1=CC=C(C=C1)Cl, Annotation [C10H13ClO-5H]+, Rule of HR True"
+179.04343	457091
+179.0622	247358	"Theoretical m/z 179.062204, Mass diff 0 (0.02 ppm), SMILES C=1C=C(C=CC=1CC(C)CC)Cl, Annotation [C11H15Cl-3H]+, Rule of HR True"
+180.03355	1064754	"Theoretical m/z 180.033642, Mass diff 0 (0.51 ppm), SMILES OC(C)CCC1=CC=C(C=C1)Cl, Annotation [C10H13ClO-4H]+, Rule of HR False"
+181.04132	2022312	"Theoretical m/z 181.041467, Mass diff 0 (0.81 ppm), SMILES OC(C)CCC1=CC=C(C=C1)Cl, Annotation [C10H13ClO-3H]+, Rule of HR True"
+181.10107	256696	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+182.03044	552995
+182.10901	411435	"Theoretical m/z 182.108995, Mass diff 0 (0.08 ppm), SMILES C1=CC=C(C=C1)CC2CCC(C)(C)C2, Annotation [C14H20-6H]+, Rule of HR False"
+183.03842	474055
+189.04643	444184	"Theoretical m/z 189.046559, Mass diff 0 (0.68 ppm), SMILES C=1C=C(C=CC=1CC(CC)CC)Cl, Annotation [C12H17Cl-7H]+, Rule of HR True"
+191.06212	258081	"Theoretical m/z 191.062209, Mass diff 0 (0.47 ppm), SMILES C=1C=C(C=CC=1CCCCCC)Cl, Annotation [C12H17Cl-5H]+, Rule of HR True"
+192.03217	718874
+193.04144	1062642	"Theoretical m/z 193.041472, Mass diff 0 (0.17 ppm), SMILES OCC(CC1=CC=C(C=C1)Cl)CC, Annotation [C11H15ClO-5H]+, Rule of HR True"
+194.04922	1291665	"Theoretical m/z 194.049298, Mass diff 0 (0.4 ppm), SMILES OCC(CC1=CC=C(C=C1)Cl)CC, Annotation [C11H15ClO-4H]+, Rule of HR False"
+195.03851	686692
+196.04628	366825
+197.13238	859350	"Theoretical m/z 197.132476, Mass diff 0 (0.49 ppm), SMILES C1=CC=C(C=C1)CC2CCC(C)(C)C2(C), Annotation [C15H22-5H]+, Rule of HR True"
+207.05705	720667	"Theoretical m/z 207.057113, Mass diff 0 (0.3 ppm), SMILES OC(C)C(CC1=CC=C(C=C1)Cl)CC, Annotation [C12H17ClO-5H]+, Rule of HR True"
+209.10902	235960	"Theoretical m/z 209.10915, Mass diff 0 (0.62 ppm), SMILES C=1C=C(C=CC=1CCCCC(C)C)Cl, Annotation [C13H19Cl-H]+, Rule of HR True"
+215.14308	956620	"Theoretical m/z 215.143045, Mass diff 0 (0.16 ppm), SMILES OC2(C)(C(CC1=CC=CC=C1)CCC2(C)(C)), Annotation [C15H22O-3H]+, Rule of HR True"
+217.07785	1450905	"Theoretical m/z 217.077849, Mass diff 0 (0 ppm), SMILES C=1C=C(C=CC=1CC2CCC(C)C2(C))Cl, Annotation [C14H19Cl-5H]+, Rule of HR True"
+219.09341	1197994	"Theoretical m/z 219.0935, Mass diff 0 (0.41 ppm), SMILES C=1C=C(C=CC=1CC2CCC(C)(C)C2)Cl, Annotation [C14H19Cl-3H]+, Rule of HR True"
+221.07265	521367	"Theoretical m/z 221.072763, Mass diff 0 (0.51 ppm), SMILES OC2C(C)CCC2(CC1=CC=C(C=C1)Cl), Annotation [C13H17ClO-3H]+, Rule of HR True"
+232.10127	1670206
+233.10442	257786
+234.09828	553362
+235.08832	1468234	"Theoretical m/z 235.088418, Mass diff 0 (0.42 ppm), SMILES OC2(C)(C(C)CCC2(CC1=CC=C(C=C1)Cl)), Annotation [C14H19ClO-3H]+, Rule of HR True"
+237.08537	698565
+239.004	229278	"Theoretical m/z 239.001215, Mass diff -0.003 (0 ppm), Formula C13H4ClN2O"
+248.0584	1270709	"Theoretical m/z 248.058511, Mass diff 0 (0.45 ppm), SMILES OC(CN1N=CN=C1)CCC2=CC=C(C=C2)Cl, Annotation [C12H14ClN3O-3H]+, Rule of HR True"
+250.05547	408103
+250.11176	2773806	"Theoretical m/z 250.111899, Mass diff 0 (0.56 ppm), SMILES OC2(C)(C(CC1=CC=C(C=C1)Cl)CCC2(C)(C)), Annotation [C15H21ClO-2H]+, Rule of HR False"
+251.11507	310111
+252.10869	876147	"Theoretical m/z 252.113687, Mass diff 0.004 (0 ppm), Formula C15H14N3O"
+262.074	885440	"Theoretical m/z 262.074151, Mass diff 0 (0.58 ppm), SMILES OC(CN1N=CN=C1)C(C)CC2=CC=C(C=C2)Cl, Annotation [C13H16ClN3O-3H]+, Rule of HR True"
+264.07098	276198
+301.13397	791926
+303.13095	235751
+319.14459	529161	"Theoretical m/z 319.144593, Mass diff 0 (0.01 ppm), SMILES OC3(CN1N=CN=C1)(C(CC2=CC=C(C=C2)Cl)CCC3(C)(C)), Annotation [C17H22ClN3O]+, Rule of HR False"
+
+NAME: Triflumizole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2061.5
+PRECURSORMZ: 345.08514
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H15ClF3N3O
+INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 128
+68.03688	2151173
+69.03346	156091
+69.06984	338400	"Theoretical m/z 69.070425, Mass diff 0 (0 ppm), Formula C5H9"
+71.08549	197308	"Theoretical m/z 71.086075, Mass diff 0 (0 ppm), Formula C5H11"
+73.06475	843795	"Theoretical m/z 73.064792, Mass diff 0 (0.58 ppm), SMILES O(C)CCC, Annotation [C4H10O-H]+, Rule of HR True"
+74.01502	122948	"Theoretical m/z 74.01565, Mass diff 0 (0 ppm), Formula C6H2"
+75.02293	135209	"Theoretical m/z 75.023475, Mass diff 0 (0 ppm), Formula C6H3"
+81.04472	473101	"Theoretical m/z 81.044727, Mass diff 0 (0.09 ppm), SMILES N=1C=CN(C=1)C, Annotation [C4H6N2-H]+, Rule of HR True"
+81.06988	397246	"Theoretical m/z 81.069878, Mass diff 0 (0.03 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+85.10114	329178	"Theoretical m/z 85.101725, Mass diff 0 (0 ppm), Formula C6H13"
+88.05185	93187	"Theoretical m/z 88.051087, Mass diff -0.001 (0 ppm), Formula C2H6N3O"
+91.05422	124680	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+93.01354	116713	"Theoretical m/z 93.014053, Mass diff 0 (0 ppm), Formula C6H2F"
+93.06988	93003	"Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9"
+94.04134	112167	"Theoretical m/z 94.041313, Mass diff 0 (0.29 ppm), SMILES [OH+]C1=CC=CC=C1, Annotation [C6H6O-H]+, Rule of HR True"
+99.04401	124738	"Theoretical m/z 99.04216, Mass diff -0.002 (0 ppm), Formula C3H6F3"
+108.98399	194844	"Theoretical m/z 108.983957, Mass diff 0 (0.31 ppm), SMILES C1=CC=C(C=C1)Cl, Annotation [C6H5Cl-3H]+, Rule of HR True"
+114.06752	89051	"Theoretical m/z 114.066737, Mass diff -0.001 (0 ppm), Formula C4H8N3O"
+119.01023	93398	"Theoretical m/z 119.01086, Mass diff 0 (0 ppm), Formula C5H2F3"
+119.0491	95727	"Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O"
+119.0855	88159	"Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11"
+123.04399	126512
+124.01815	100989	"Theoretical m/z 124.018724, Mass diff 0 (0 ppm), Formula C9H2N"
+125.01969	856111	"Theoretical m/z 125.020282, Mass diff 0 (0 ppm), Formula C7H3F2"
+126.06743	88613
+132.01807	333423	"Theoretical m/z 132.019787, Mass diff 0.001 (0 ppm), Formula C6H2N3O"
+134.03996	109009	"Theoretical m/z 134.040602, Mass diff 0 (0 ppm), Formula C8H5FN"
+138.02751	92903	"Theoretical m/z 138.027907, Mass diff 0 (0 ppm), Formula C3H3F3N3"
+141.06975	87000	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+143.01028	956554	"Theoretical m/z 143.010309, Mass diff 0 (0.2 ppm), SMILES FC(F)(F)C=1C=CC=CC=1, Annotation [C7H5F3-3H]+, Rule of HR True"
+144.01808	1901401	"Theoretical m/z 144.018134, Mass diff 0 (0.37 ppm), SMILES FC(F)(F)C=1C=CC=CC=1, Annotation [C7H5F3-2H]+, Rule of HR False"
+145.03218	451039	"Theoretical m/z 145.034407, Mass diff 0.002 (0 ppm), Formula C3H8ClF2N2"
+148.0304	147924	"Theoretical m/z 148.0311, Mass diff 0 (0 ppm), Formula C7H3FN3"
+150.01053	305728	"Theoretical m/z 150.011052, Mass diff 0 (0 ppm), Formula C8H5ClN"
+151.02313	100416
+152.02628	188154	"Theoretical m/z 152.026702, Mass diff 0 (0 ppm), Formula C8H7ClN"
+152.06203	166826	"Theoretical m/z 152.0624, Mass diff 0 (0 ppm), Formula C7H7FN3"
+154.99319	413995	"Theoretical m/z 154.993318, Mass diff 0 (0 ppm), Formula C10FO"
+155.06024	220787	"Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2"
+156.01802	99217	"Theoretical m/z 156.019787, Mass diff 0.001 (0 ppm), Formula C8H2N3O"
+156.09335	88642	"Theoretical m/z 156.093701, Mass diff 0 (0 ppm), Formula C7H11FN3"
+156.99623	510231	"Theoretical m/z 156.996879, Mass diff 0 (0 ppm), Formula C6H3ClFN2"
+158.98073	374419	"Theoretical m/z 158.980768, Mass diff 0 (0.24 ppm), SMILES FC(F)C1=CC=CC(=C1)Cl, Annotation [C7H5ClF2-3H]+, Rule of HR True"
+159.98846	208195	"Theoretical m/z 159.988593, Mass diff 0 (0.83 ppm), SMILES FC(F)C1=CC=CC(=C1)Cl, Annotation [C7H5ClF2-2H]+, Rule of HR False"
+160.97777	139021	"Theoretical m/z 160.979417, Mass diff 0.001 (0 ppm), Formula C9H2ClO"
+163.01825	110984	"Theoretical m/z 163.01839, Mass diff 0 (0 ppm), Formula C12H3O"
+163.02266	321139	"Theoretical m/z 163.024986, Mass diff 0.002 (0 ppm), Formula C3H7ClF3N2"
+164.0305	724143	"Theoretical m/z 164.031181, Mass diff 0 (0 ppm), Formula C9H4F2N"
+165.03845	239687
+165.06984	233984	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+168.00104	386587	"Theoretical m/z 168.00163, Mass diff 0 (0 ppm), Formula C8H4ClFN"
+169.00896	113606	"Theoretical m/z 169.008968, Mass diff -0.001 (0 ppm), Formula C11H2FO"
+170.02115	1478655	"Theoretical m/z 170.021759, Mass diff 0 (0 ppm), Formula C8H3F3N"
+171.02901	309026
+174.0042	92792	"Theoretical m/z 174.004584, Mass diff 0 (0 ppm), Formula C3H4ClF3N3"
+176.01329	143407	"Theoretical m/z 176.013639, Mass diff 0 (0 ppm), Formula C12H2NO"
+178.98692	4811641	"Theoretical m/z 178.986988, Mass diff 0 (0.38 ppm), SMILES FC(F)(F)C1=CC=CC(=C1)Cl, Annotation [C7H4ClF3-H]+, Rule of HR True"
+179.99028	572582
+180.98395	1511588	"Theoretical m/z 180.984503, Mass diff 0 (0 ppm), Formula C12H2Cl"
+181.98743	257386
+182.0713	186634	"Theoretical m/z 182.073165, Mass diff 0.001 (0 ppm), Formula C13H10O"
+183.07979	127636	"Theoretical m/z 183.08099, Mass diff 0.001 (0 ppm), Formula C13H11O"
+184.03685	1314494	"Theoretical m/z 184.037409, Mass diff 0 (0 ppm), Formula C9H5F3N"
+185.04005	178296
+185.09601	137566	"Theoretical m/z 185.09664, Mass diff 0 (0 ppm), Formula C13H13O"
+185.99164	2630093	"Theoretical m/z 185.992208, Mass diff 0 (0 ppm), Formula C8H3ClF2N"
+186.995	236738
+187.98865	955849	"Theoretical m/z 187.990316, Mass diff 0.001 (0 ppm), Formula C10H3ClNO"
+189.02583	168051	"Theoretical m/z 189.02643, Mass diff 0 (0 ppm), Formula C10H3F2N2"
+189.07001	160727	"Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9"
+190.02905	266229	"Theoretical m/z 190.029289, Mass diff 0 (0 ppm), Formula C13H4NO"
+191.00092	171767	"Theoretical m/z 191.001215, Mass diff 0 (0 ppm), Formula C9H4ClN2O"
+191.10658	133321	"Theoretical m/z 191.10476, Mass diff -0.002 (0 ppm), Formula C10H14F3"
+192.03653	155572	"Theoretical m/z 192.037329, Mass diff 0 (0 ppm), Formula C9H4F2N3"
+196.0134	192366	"Theoretical m/z 196.013533, Mass diff 0 (0.68 ppm), SMILES FC(F)(F)C=1C=C(C=CC=1(N))Cl, Annotation [C7H5ClF3N+H]+, Rule of HR True"
+197.04469	130030	"Theoretical m/z 197.048166, Mass diff 0.003 (0 ppm), Formula C9H10ClN2O"
+197.99173	409877	"Theoretical m/z 197.992208, Mass diff 0 (0 ppm), Formula C9H3ClF2N"
+198.01126	173190	"Theoretical m/z 198.012195, Mass diff 0 (0 ppm), Formula C9H6ClFNO"
+198.99942	1948872	"Theoretical m/z 198.999546, Mass diff 0 (0 ppm), Formula C12HF2O"
+200.00725	1180537	"Theoretical m/z 200.007858, Mass diff 0 (0 ppm), Formula C9H5ClF2N"
+200.99646	764315	"Theoretical m/z 200.99521, Mass diff -0.002 (0 ppm), Formula C12F3"
+201.01062	98184
+202.0043	350911
+203.02434	247216	"Theoretical m/z 203.024481, Mass diff 0 (0.7 ppm), SMILES N=1C=CN(C=1)C=NC2=CC=C(C=C2)Cl, Annotation [C10H8ClN3-2H]+, Rule of HR False"
+204.04921	95950	"Theoretical m/z 204.051535, Mass diff 0.002 (0 ppm), Formula C5H10ClF3N3"
+204.99011	596954	"Theoretical m/z 204.990057, Mass diff 0 (0.26 ppm), SMILES FC(F)(F)C=1C=C(C=CC=1(N=C))Cl, Annotation [C8H5ClF3N-2H]+, Rule of HR False"
+205.99789	8651088	"Theoretical m/z 205.997882, Mass diff 0 (0.04 ppm), SMILES FC(F)(F)C=1C=C(C=CC=1(N=C))Cl, Annotation [C8H5ClF3N-H]+, Rule of HR True"
+207.00114	926178
+207.99492	3009454	"Theoretical m/z 207.995402, Mass diff 0 (0 ppm), Formula C13H3ClN"
+208.07294	148460	"Theoretical m/z 208.076239, Mass diff 0.003 (0 ppm), Formula C14H10NO"
+208.99817	446446
+216.00232	240666	"Theoretical m/z 216.002773, Mass diff 0 (0 ppm), Formula C9H5ClF2NO"
+217.03963	228926	"Theoretical m/z 217.040122, Mass diff 0 (2.26 ppm), SMILES N=1C=CN(C=1)C(=NC2=CC=C(C=C2)Cl)C, Annotation [C11H10ClN3-2H]+, Rule of HR False"
+218.04794	5145313	"Theoretical m/z 218.047947, Mass diff 0 (0.03 ppm), SMILES N=1C=CN(C=1)C(=NC2=CC=C(C=C2)Cl)C, Annotation [C11H10ClN3-H]+, Rule of HR True"
+219.00574	2043698	"Theoretical m/z 219.005713, Mass diff 0 (0.12 ppm), SMILES FC(F)(F)C=1C=C(C=CC=1(N=CC))Cl, Annotation [C9H7ClF3N-2H]+, Rule of HR False"
+220.04492	2221995	"Theoretical m/z 220.045306, Mass diff 0 (0 ppm), Formula C8H9ClF2N3"
+221.00269	831192
+221.08437	829331	"Theoretical m/z 221.084551, Mass diff 0 (0 ppm), Formula C12H14ClN2"
+222.01096	228639	"Theoretical m/z 222.011052, Mass diff 0 (0 ppm), Formula C14H5ClN"
+223.04759	137097	"Theoretical m/z 223.048308, Mass diff 0 (0 ppm), Formula C11H6F3N2"
+224.0555	530126	"Theoretical m/z 224.059065, Mass diff 0.003 (0 ppm), Formula C10H11ClN3O"
+225.00249	381968	"Theoretical m/z 225.003107, Mass diff 0 (0 ppm), Formula C10H4ClF2N2"
+231.06036	134252	"Theoretical m/z 231.062146, Mass diff 0.001 (0 ppm), Formula C14H9F2O"
+232.00717	446568	"Theoretical m/z 232.007778, Mass diff 0 (0 ppm), Formula C11H4ClFN3"
+234.0041	242479	"Theoretical m/z 234.004584, Mass diff 0 (0 ppm), Formula C8H4ClF3N3"
+237.05074	136088	"Theoretical m/z 237.050833, Mass diff 0 (0.39 ppm), SMILES FC(F)(F)C=2C=CC=CC=2(N=CN1C=NC=C1), Annotation [C11H8F3N3-2H]+, Rule of HR False"
+240.0385	151488	"Theoretical m/z 240.039158, Mass diff 0 (0 ppm), Formula C12H9ClF2N"
+246.02292	101392	"Theoretical m/z 246.023428, Mass diff 0 (0 ppm), Formula C12H6ClFN3"
+248.04474	760931	"Theoretical m/z 248.045387, Mass diff 0 (0 ppm), Formula C11H10ClF3N"
+250.06033	695362
+251.06606	180296
+252.01331	736888	"Theoretical m/z 252.013452, Mass diff 0 (0.56 ppm), SMILES FC(F)C=2C=C(C=CC=2(N=CN1C=NC=C1))Cl, Annotation [C11H8ClF2N3-3H]+, Rule of HR True"
+252.05743	150569
+254.01024	176969
+260.04486	140330	"Theoretical m/z 260.045387, Mass diff 0 (0 ppm), Formula C12H10ClF3N"
+266.02899	286687	"Theoretical m/z 266.029107, Mass diff 0 (0.44 ppm), SMILES FC(F)C=2C=C(C=CC=2(N=C(N1C=NC=C1)C))Cl, Annotation [C12H10ClF2N3-3H]+, Rule of HR True"
+272.01953	522439	"Theoretical m/z 272.019672, Mass diff 0 (0.52 ppm), SMILES FC(F)(F)C=2C=C(C=CC=2(N=CN1C=NC=C1))Cl, Annotation [C11H7ClF3N3-H]+, Rule of HR True"
+274.01654	167613
+278.05539	6647038	"Theoretical m/z 278.055408, Mass diff 0 (0.07 ppm), SMILES FC(F)(F)C=1C=C(C=CC=1(N=CCOCCC))Cl, Annotation [C12H13ClF3NO-H]+, Rule of HR True"
+279.05866	826844
+280.0524	2102942
+284.03946	254906	"Theoretical m/z 284.039661, Mass diff 0 (0.71 ppm), SMILES FC(F)C=2C=C(C=CC=2(N=C(N1C=NC=C1)CO))Cl, Annotation [C12H10ClF2N3O-H]+, Rule of HR True"
+286.0354	775600	"Theoretical m/z 286.035328, Mass diff 0 (0.25 ppm), SMILES FC(F)(F)C=2C=C(C=CC=2(N=C(N1C=NC=C1)C))Cl, Annotation [C12H9ClF3N3-H]+, Rule of HR True"
+287.04315	2451502	"Theoretical m/z 287.043153, Mass diff 0 (0.01 ppm), SMILES FC(F)(F)C=2C=C(C=CC=2(N=C(N1C=NC=C1)C))Cl, Annotation [C12H9ClF3N3]+, Rule of HR False"
+288.04639	535239
+289.04013	763960
+290.0434	104138
+302.03033	89311	"Theoretical m/z 302.030262, Mass diff 0 (0.23 ppm), SMILES FC(F)(F)C=2C=C(C=CC=2(N=C(N1C=NC=C1)CO))Cl, Annotation [C12H9ClF3N3O-H]+, Rule of HR True"
+
+NAME: Triticonazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2553
+PRECURSORMZ: 309.25729
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C17H20ClN3O
+INCHIKEY: PPDBOQMNKNNODG-NTEUORMPSA-N
+INCHI: 
+SMILES: CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 124
+67.05417	236158	"Theoretical m/z 67.054229, Mass diff 0 (0.88 ppm), SMILES CCC(C)C, Annotation [C5H12-5H]+, Rule of HR True"
+69.0698	126036	"Theoretical m/z 69.069879, Mass diff 0 (1.14 ppm), SMILES CCC(C)C, Annotation [C5H12-3H]+, Rule of HR True"
+70.07765	338013	"Theoretical m/z 70.077704, Mass diff 0 (0.77 ppm), SMILES CCC(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+77.0385	309219	"Theoretical m/z 77.038578, Mass diff 0 (1.01 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05416	248855	"Theoretical m/z 79.054227, Mass diff 0 (0.84 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-7H]+, Rule of HR True"
+81.06982	453375	"Theoretical m/z 81.069878, Mass diff 0 (-0.71 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.03992	1740565	"Theoretical m/z 82.039974, Mass diff 0 (0.66 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.08543	2980655	"Theoretical m/z 83.085527, Mass diff 0 (1.16 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-3H]+, Rule of HR True"
+84.09328	142023	"Theoretical m/z 84.093352, Mass diff 0 (0.85 ppm), SMILES CCC(C)(C)C, Annotation [C6H14-2H]+, Rule of HR False"
+89.03849	679677	"Theoretical m/z 89.038575, Mass diff 0 (0.96 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+91.05416	432758	"Theoretical m/z 91.054226, Mass diff 0 (0.72 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+93.06983	123483	"Theoretical m/z 93.069875, Mass diff 0 (0.48 ppm), SMILES CCC(C)(C)CC, Annotation [C7H16-7H]+, Rule of HR True"
+95.04906	113252	"Theoretical m/z 95.049141, Mass diff 0 (-0.85 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+95.08544	452461	"Theoretical m/z 95.085525, Mass diff 0 (0.89 ppm), SMILES CCC(C)(C)CC, Annotation [C7H16-5H]+, Rule of HR True"
+97.1011	137066	"Theoretical m/z 97.101175, Mass diff 0 (0.77 ppm), SMILES CCC(C)(C)CC, Annotation [C7H16-3H]+, Rule of HR True"
+99.04395	115126
+102.04629	224259	"Theoretical m/z 102.046401, Mass diff 0 (1.08 ppm), SMILES C=CC1=CC=CC=C1, Annotation [C8H8-2H]+, Rule of HR False"
+103.05412	219676	"Theoretical m/z 103.054226, Mass diff 0 (1.02 ppm), SMILES C=CC1=CC=CC=C1, Annotation [C8H8-H]+, Rule of HR True"
+105.06979	113809	"Theoretical m/z 105.069876, Mass diff 0 (0.82 ppm), SMILES C=CC1=CC=CC=C1, Annotation [C8H8+H]+, Rule of HR True"
+107.0854	110550	"Theoretical m/z 107.085525, Mass diff 0 (1.16 ppm), SMILES CC1CCCC1(C)(C), Annotation [C8H16-5H]+, Rule of HR True"
+109.1011	145530	"Theoretical m/z 109.101175, Mass diff 0 (0.68 ppm), SMILES CC1CCCC1(C)(C), Annotation [C8H16-3H]+, Rule of HR True"
+111.11671	164443	"Theoretical m/z 111.116825, Mass diff 0 (1.03 ppm), SMILES CC1CCCC1(C)(C), Annotation [C8H16-H]+, Rule of HR True"
+113.03838	134653	"Theoretical m/z 113.038573, Mass diff 0 (1.71 ppm), SMILES C1=CC=C(C=C1)C=CC, Annotation [C9H10-5H]+, Rule of HR True"
+114.04633	366684
+115.0541	4502036	"Theoretical m/z 115.054223, Mass diff 0 (1.07 ppm), SMILES C1=CC=C(C=C1)C=CC, Annotation [C9H10-3H]+, Rule of HR True"
+116.06191	1616278	"Theoretical m/z 116.062048, Mass diff 0 (1.19 ppm), SMILES C1=CC=C(C=C1)C=CC, Annotation [C9H10-2H]+, Rule of HR False"
+117.06972	221917	"Theoretical m/z 117.069873, Mass diff 0 (1.31 ppm), SMILES C1=CC=C(C=C1)C=CC, Annotation [C9H10-H]+, Rule of HR True"
+123.08022	121929	"Theoretical m/z 123.080438, Mass diff 0 (1.77 ppm), SMILES OC1C(=C)CCC1(C)(C), Annotation [C8H14O-3H]+, Rule of HR True"
+123.11663	180171	"Theoretical m/z 123.116825, Mass diff 0 (1.58 ppm), SMILES C=C1CCC(C)(C)C1C, Annotation [C9H16-H]+, Rule of HR True"
+125.01512	1874840	"Theoretical m/z 125.015255, Mass diff 0 (1.08 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+126.06734	370137
+127.01214	994760
+127.05406	310887	"Theoretical m/z 127.054229, Mass diff 0 (1.33 ppm), SMILES C1=CC=C(C=C1)C=CCC, Annotation [C10H12-5H]+, Rule of HR True"
+128.06187	1560234	"Theoretical m/z 128.062054, Mass diff 0 (1.44 ppm), SMILES C1=CC=C(C=C1)C=CCC, Annotation [C10H12-4H]+, Rule of HR False"
+129.06969	1406486	"Theoretical m/z 129.069879, Mass diff 0 (1.46 ppm), SMILES C1=CC=C(C=C1)C=CCC, Annotation [C10H12-3H]+, Rule of HR True"
+130.07756	235666
+136.00728	119512
+138.99432	301481	"Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO"
+139.054	587656	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+140.06183	123905	"Theoretical m/z 140.059065, Mass diff -0.003 (0 ppm), Formula C3H11ClN3O"
+141.06967	1179629	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07759	757457
+143.0854	360927	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.05678	110629
+149.01515	784498	"Theoretical m/z 149.015252, Mass diff 0 (0.69 ppm), SMILES C=1C=C(C=CC=1C=CC)Cl, Annotation [C9H9Cl-3H]+, Rule of HR True"
+150.02293	409918
+151.03078	1612699	"Theoretical m/z 151.030903, Mass diff 0 (0.81 ppm), SMILES C=1C=C(C=CC=1C=CC)Cl, Annotation [C9H9Cl-H]+, Rule of HR True"
+152.02014	229441
+152.0619	807988	"Theoretical m/z 152.059065, Mass diff -0.003 (0 ppm), Formula C4H11ClN3O"
+153.06967	1144466	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07732	292219	"Theoretical m/z 154.074715, Mass diff -0.003 (0 ppm), Formula C4H13ClN3O"
+155.06018	571027	"Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2"
+156.09328	110377
+157.06465	1537214
+158.06804	236949
+162.02295	126573
+163.03075	503560	"Theoretical m/z 163.030908, Mass diff 0 (0.97 ppm), SMILES C=1C=C(C=CC=1C=CCC)Cl, Annotation [C10H11Cl-3H]+, Rule of HR True"
+164.03854	194912
+165.02783	272602
+165.06975	1503287	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07758	937081	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.08099	131651
+167.08536	2250558	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+168.08876	352672
+169.06453	265461	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+170.07237	347761	"Theoretical m/z 170.073652, Mass diff 0.001 (0 ppm), Formula C9H13ClN"
+175.03078	803015	"Theoretical m/z 175.030898, Mass diff 0 (0.68 ppm), SMILES C=1C=C(C=CC=1C=C(C)CC)Cl, Annotation [C11H13Cl-5H]+, Rule of HR True"
+176.03859	184821
+177.02777	261483
+177.0464	1367494	"Theoretical m/z 177.046548, Mass diff 0 (0.84 ppm), SMILES C=1C=C(C=CC=1C=C(C)CC)Cl, Annotation [C11H13Cl-3H]+, Rule of HR True"
+178.04974	229000
+178.0775	440742	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.02566	1988403	"Theoretical m/z 179.025827, Mass diff 0 (0.93 ppm), SMILES OC(C=CC1=CC=C(C=C1)Cl)C, Annotation [C10H11ClO-3H]+, Rule of HR True"
+179.08528	937103	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.02881	118476
+180.08874	216504
+180.09308	911822	"Theoretical m/z 180.093355, Mass diff 0 (1.53 ppm), SMILES C1=CC=C(C=C1)C=C2CCC(C)(C)C2, Annotation [C14H18-6H]+, Rule of HR False"
+181.02268	459606
+181.10097	2302111	"Theoretical m/z 181.10118, Mass diff 0 (1.16 ppm), SMILES C1=CC=C(C=C1)C=C2CCC(C)(C)C2, Annotation [C14H18-5H]+, Rule of HR True"
+182.10887	7336740	"Theoretical m/z 182.109005, Mass diff 0 (0.74 ppm), SMILES C1=CC=C(C=C1)C=C2CCC(C)(C)C2, Annotation [C14H18-4H]+, Rule of HR False"
+183.11223	1169311
+184.08804	192261	"Theoretical m/z 184.089302, Mass diff 0.001 (0 ppm), Formula C10H15ClN"
+185.0959	249081	"Theoretical m/z 185.09664, Mass diff 0 (0 ppm), Formula C13H13O"
+187.03075	112496	"Theoretical m/z 187.030904, Mass diff 0 (0.82 ppm), SMILES C=1C=C(C=CC=1C=C(CC)CC)Cl, Annotation [C12H15Cl-7H]+, Rule of HR True"
+189.04636	338863	"Theoretical m/z 189.046554, Mass diff 0 (1.02 ppm), SMILES C=1C=C(C=CC=1C=CCCCC)Cl, Annotation [C12H15Cl-5H]+, Rule of HR True"
+191.00084	495535	"Theoretical m/z 191.001215, Mass diff 0 (0 ppm), Formula C9H4ClN2O"
+191.02553	420605	"Theoretical m/z 191.025817, Mass diff 0 (1.5 ppm), SMILES OCC(=CC1=CC=C(C=C1)Cl)CC, Annotation [C11H13ClO-5H]+, Rule of HR True"
+191.10631	226863
+192.03339	205470	"Theoretical m/z 192.033642, Mass diff 0 (1.31 ppm), SMILES OCC(=CC1=CC=C(C=C1)Cl)CC, Annotation [C11H13ClO-4H]+, Rule of HR False"
+192.98035	119135
+193.04973	140443
+195.1167	3059716	"Theoretical m/z 195.11682, Mass diff 0 (0.62 ppm), SMILES C1=CC=C(C=C1)C=C2CCC(C)(C)C2C, Annotation [C15H20-5H]+, Rule of HR True"
+196.11993	482277
+202.05418	589110
+203.05753	127307
+204.05127	239095
+205.04138	895087	"Theoretical m/z 205.041472, Mass diff 0 (0.45 ppm), SMILES OC(C(=CC1=CC=C(C=C1)Cl)CC)C, Annotation [C12H15ClO-5H]+, Rule of HR True"
+205.12234	110788
+207.03825	164475
+213.12715	641266	"Theoretical m/z 213.127389, Mass diff 0 (1.12 ppm), SMILES OC2(C(=CC1=CC=CC=C1)CCC2(C)(C))(C), Annotation [C15H20O-3H]+, Rule of HR True"
+215.06197	1469584	"Theoretical m/z 215.062209, Mass diff 0 (1.11 ppm), SMILES C=1C=C(C=CC=1C=C2CCC(C)C2C)Cl, Annotation [C14H17Cl-5H]+, Rule of HR True"
+216.06534	181036
+217.07773	8689338	"Theoretical m/z 217.077859, Mass diff 0 (0.6 ppm), SMILES C=1C=C(C=CC=1C=C2CCC(C)(C)C2)Cl, Annotation [C14H17Cl-3H]+, Rule of HR True"
+218.08102	1278002
+219.07472	3153675
+220.06484	1628396	"Theoretical m/z 220.064948, Mass diff 0 (0.49 ppm), SMILES OC2C(=CC1=CC=C(C=C1)Cl)CCC2(C), Annotation [C13H15ClO-2H]+, Rule of HR False"
+220.07791	359166
+221.08426	524382	"Theoretical m/z 221.084003, Mass diff 0 (1.16 ppm), SMILES N=CNCCC(=CC1=CC=C(C=C1)Cl)C, Annotation [C12H15ClN2-H]+, Rule of HR True"
+222.06189	426198
+230.08559	498004
+232.08276	151124
+233.0725	399473	"Theoretical m/z 233.072763, Mass diff 0 (1.13 ppm), SMILES OC2(C(=CC1=CC=C(C=C1)Cl)CCC2(C))(C), Annotation [C14H17ClO-3H]+, Rule of HR True"
+235.0882	10954529	"Theoretical m/z 235.088413, Mass diff 0 (0.91 ppm), SMILES OC2C(=CC1=CC=C(C=C1)Cl)CCC2(C)(C), Annotation [C14H17ClO-H]+, Rule of HR True"
+236.09151	1553952
+237.08518	3468018
+238.08853	484982
+247.08818	115346	"Theoretical m/z 247.087083, Mass diff 0.001 (4.44 ppm), SMILES N=1C=NN(C=1)CCC(=CC2=CC=C(C=C2)Cl)C, Annotation [C13H14ClN3]+, Rule of HR False"
+248.09615	261124	"Theoretical m/z 248.096243, Mass diff 0 (0.38 ppm), SMILES OC2(C(=CC1=CC=C(C=C1)Cl)CCC2(C)(C))(C), Annotation [C15H19ClO-2H]+, Rule of HR False"
+282.05023	139475
+284.09445	319407	"Theoretical m/z 284.094903, Mass diff 0 (1.6 ppm), SMILES N=1C=NN(C=1)CC3C(=CC2=CC=C(C=C2)Cl)CCC3(C), Annotation [C16H18ClN3-3H]+, Rule of HR True"
+299.1182	2477713
+300.1214	443311
+301.11523	817755	"Theoretical m/z 301.110766, Mass diff -0.005 (0 ppm), Formula C17H18ClN2O"
+302.11835	110075
+
+NAME: Ipconazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2595
+PRECURSORMZ: 333.15979
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H24ClN3O
+INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 138
+67.05418	586560	"Theoretical m/z 67.054229, Mass diff 0 (0.73 ppm), SMILES CCC(C)C, Annotation [C5H12-5H]+, Rule of HR True"
+69.06982	634401	"Theoretical m/z 69.069879, Mass diff 0 (0.85 ppm), SMILES CCC(C)C, Annotation [C5H12-3H]+, Rule of HR True"
+70.03994	3400668	"Theoretical m/z 70.039976, Mass diff 0 (0.51 ppm), SMILES N=1C=NNC=1, Annotation [C2H3N3+H]+, Rule of HR True"
+71.08547	326996	"Theoretical m/z 71.085529, Mass diff 0 (0.83 ppm), SMILES CCC(C)C, Annotation [C5H12-H]+, Rule of HR True"
+77.03851	661226	"Theoretical m/z 77.038578, Mass diff 0 (0.88 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05418	929381	"Theoretical m/z 79.054227, Mass diff 0 (0.59 ppm), SMILES CCCC(C)C, Annotation [C6H14-7H]+, Rule of HR True"
+81.06985	722679	"Theoretical m/z 81.069878, Mass diff 0 (-0.34 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.03994	4977468	"Theoretical m/z 82.039974, Mass diff 0 (0.41 ppm), SMILES N=1C=NN(C=1)C, Annotation [C3H5N3-H]+, Rule of HR True"
+83.04774	6095776
+84.09331	451709	"Theoretical m/z 84.093352, Mass diff 0 (0.5 ppm), SMILES CCCC(C)C, Annotation [C6H14-2H]+, Rule of HR False"
+85.06471	779045	"Theoretical m/z 85.06479, Mass diff 0 (0.94 ppm), SMILES OCCC(C)C, Annotation [C5H12O-3H]+, Rule of HR True"
+85.10113	1047610	"Theoretical m/z 85.101177, Mass diff 0 (0.55 ppm), SMILES CCCC(C)C, Annotation [C6H14-H]+, Rule of HR True"
+89.03852	2506335	"Theoretical m/z 89.038575, Mass diff 0 (0.62 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+90.04637	517892	"Theoretical m/z 90.046401, Mass diff 0 (0.34 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-2H]+, Rule of HR False"
+91.05419	1267572	"Theoretical m/z 91.054226, Mass diff 0 (0.39 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+93.06986	1467767	"Theoretical m/z 93.069875, Mass diff 0 (0.16 ppm), SMILES CCC(C)C(C)C, Annotation [C7H16-7H]+, Rule of HR True"
+95.08546	1628373	"Theoretical m/z 95.085525, Mass diff 0 (0.68 ppm), SMILES CCCCC(C)C, Annotation [C7H16-5H]+, Rule of HR True"
+96.09327	279496	"Theoretical m/z 96.09335, Mass diff 0 (0.83 ppm), SMILES CCCCC(C)C, Annotation [C7H16-4H]+, Rule of HR False"
+97.06477	504945	"Theoretical m/z 97.064789, Mass diff 0 (-0.19 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+97.10115	882880	"Theoretical m/z 97.101175, Mass diff 0 (0.25 ppm), SMILES CCCCC(C)C, Annotation [C7H16-3H]+, Rule of HR True"
+98.03618	440691
+98.07253	404021	"Theoretical m/z 98.072617, Mass diff 0 (-0.88 ppm), SMILES C[O+]\C=C(/C)C=C, Annotation [C6H10O-H]+, Rule of HR True"
+98.99951	542819	"Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl"
+100.99662	280314
+102.04636	259443	"Theoretical m/z 102.046398, Mass diff 0 (0.38 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05415	653577	"Theoretical m/z 103.054223, Mass diff 0 (0.71 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+105.06985	328234	"Theoretical m/z 105.069873, Mass diff 0 (0.22 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+107.08548	309623	"Theoretical m/z 107.085525, Mass diff 0 (0.42 ppm), SMILES CC(C)C1CCCC1, Annotation [C8H16-5H]+, Rule of HR True"
+110.07107	251299	"Theoretical m/z 110.07127, Mass diff 0 (1.81 ppm), SMILES N=1C=NN(C=1)CCC, Annotation [C5H9N3-H]+, Rule of HR True"
+110.10894	266568
+111.08038	570607	"Theoretical m/z 111.080443, Mass diff 0 (0.57 ppm), SMILES OCC(CC)C(C)C, Annotation [C7H16O-5H]+, Rule of HR True"
+111.11677	715505	"Theoretical m/z 111.116825, Mass diff 0 (0.49 ppm), SMILES CC(C)C1CCCC1, Annotation [C8H16-H]+, Rule of HR True"
+112.00737	207590
+113.13235	210904	"Theoretical m/z 113.132475, Mass diff 0 (1.1 ppm), SMILES CC(C)C1CCCC1, Annotation [C8H16+H]+, Rule of HR True"
+115.05416	2786656	"Theoretical m/z 115.054229, Mass diff 0 (0.6 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-5H]+, Rule of HR True"
+116.06196	1154411	"Theoretical m/z 116.062054, Mass diff 0 (0.81 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-4H]+, Rule of HR False"
+117.06978	1400644	"Theoretical m/z 117.069879, Mass diff 0 (0.84 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-3H]+, Rule of HR True"
+121.1011	1930825	"Theoretical m/z 121.10118, Mass diff 0 (0.66 ppm), SMILES CC(C)C1CCCC1(C), Annotation [C9H18-5H]+, Rule of HR True"
+123.11671	253976	"Theoretical m/z 123.11683, Mass diff 0 (0.98 ppm), SMILES CC(C)C1CCCC1(C), Annotation [C9H18-3H]+, Rule of HR True"
+125.01517	18560266	"Theoretical m/z 125.015255, Mass diff 0 (0.68 ppm), SMILES C=1C=C(C=CC=1C)Cl, Annotation [C7H7Cl-H]+, Rule of HR True"
+125.13239	999734	"Theoretical m/z 125.13248, Mass diff 0 (0.72 ppm), SMILES CC(C)C1CCCC1(C), Annotation [C9H18-H]+, Rule of HR True"
+126.01849	1498743
+127.01219	5888634
+127.05396	229670	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.01556	427626
+128.0619	1479746	"Theoretical m/z 128.062044, Mass diff 0 (1.12 ppm), SMILES C1=CC=C(C=C1)CCCC, Annotation [C10H14-6H]+, Rule of HR False"
+129.06972	7682746	"Theoretical m/z 129.069869, Mass diff 0 (1.16 ppm), SMILES C1=CC=C(C=C1)CCCC, Annotation [C10H14-5H]+, Rule of HR True"
+130.07318	1112289
+131.08542	355540	"Theoretical m/z 131.085519, Mass diff 0 (0.76 ppm), SMILES C1=CC=C(C=C1)CCCC, Annotation [C10H14-3H]+, Rule of HR True"
+138.02298	569649
+138.06609	2452478	"Theoretical m/z 138.066186, Mass diff 0 (0.7 ppm), SMILES OC(CN1N=CN=C1)CC, Annotation [C6H11N3O-3H]+, Rule of HR True"
+139.03081	2927696	"Theoretical m/z 139.030903, Mass diff 0 (0.67 ppm), SMILES C=1C=C(C=CC=1CC)Cl, Annotation [C8H9Cl-H]+, Rule of HR True"
+139.11159	1130454	"Theoretical m/z 139.111749, Mass diff 0 (1.14 ppm), SMILES OC1(C)(CCCC1(C(C)C)), Annotation [C9H18O-3H]+, Rule of HR True"
+140.01984	339089
+141.02779	636179
+141.06972	1969590	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07767	463761
+143.08543	214696	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.0569	264527	"Theoretical m/z 144.058002, Mass diff 0.001 (0 ppm), Formula C7H11ClN"
+145.06468	2574126
+146.07243	294322
+147.08031	436884
+149.01517	243376	"Theoretical m/z 149.015258, Mass diff 0 (0.59 ppm), SMILES C=1C=C(C=CC=1CCC)Cl, Annotation [C9H11Cl-5H]+, Rule of HR True"
+149.09598	254526
+151.03082	1185411	"Theoretical m/z 151.030908, Mass diff 0 (0.58 ppm), SMILES C=1C=C(C=CC=1CCC)Cl, Annotation [C9H11Cl-3H]+, Rule of HR True"
+152.03864	380711
+152.08171	2056397	"Theoretical m/z 152.081842, Mass diff 0 (0.87 ppm), SMILES OC(CN1N=CN=C1)CCC, Annotation [C7H13N3O-3H]+, Rule of HR True"
+153.0464	1687281	"Theoretical m/z 153.046558, Mass diff 0 (1.03 ppm), SMILES C=1C=C(C=CC=1CCC)Cl, Annotation [C9H11Cl-H]+, Rule of HR True"
+154.0775	342372
+155.08537	713588	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+159.0804	384984
+163.03076	1023709	"Theoretical m/z 163.030898, Mass diff 0 (0.85 ppm), SMILES C=1C=C(C=CC=1CCCC)Cl, Annotation [C10H13Cl-5H]+, Rule of HR True"
+164.03857	1736510
+165.04654	1168167	"Theoretical m/z 165.046548, Mass diff 0 (0.05 ppm), SMILES C=1C=C(C=CC=1CCCC)Cl, Annotation [C10H13Cl-3H]+, Rule of HR True"
+165.06982	1429658	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.03569	940576
+166.09738	432258	"Theoretical m/z 166.097482, Mass diff 0 (0.61 ppm), SMILES OC(CN1N=CN=C1)CC(C)C, Annotation [C8H15N3O-3H]+, Rule of HR True"
+167.04341	313607
+167.06212	806068	"Theoretical m/z 167.062198, Mass diff 0 (0.47 ppm), SMILES C=1C=C(C=CC=1CCCC)Cl, Annotation [C10H13Cl-H]+, Rule of HR True"
+167.08543	2096462	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+168.09318	863032	"Theoretical m/z 168.090365, Mass diff -0.003 (0 ppm), Formula C5H15ClN3O"
+169.10109	645634	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+175.03082	701913	"Theoretical m/z 175.030904, Mass diff 0 (0.48 ppm), SMILES C=1C=C(C=CC=1CC(C)CC)Cl, Annotation [C11H15Cl-7H]+, Rule of HR True"
+176.03854	291916
+177.02783	213841
+177.04648	2086446	"Theoretical m/z 177.046554, Mass diff 0 (0.42 ppm), SMILES C=1C=C(C=CC=1CCCCC)Cl, Annotation [C11H15Cl-5H]+, Rule of HR True"
+178.04973	441307
+179.02571	2010972	"Theoretical m/z 179.025817, Mass diff 0 (0.6 ppm), SMILES OC(C)CCC1=CC=C(C=C1)Cl, Annotation [C10H13ClO-5H]+, Rule of HR True"
+179.04346	754427
+180.03343	768767	"Theoretical m/z 180.033642, Mass diff 0 (1.18 ppm), SMILES OC(C)CCC1=CC=C(C=C1)Cl, Annotation [C10H13ClO-4H]+, Rule of HR False"
+180.11305	1433866	"Theoretical m/z 180.113138, Mass diff 0 (0.49 ppm), SMILES OC(C)(CN1N=CN=C1)CC(C)C, Annotation [C9H17N3O-3H]+, Rule of HR True"
+181.02275	748239
+181.10089	418932	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+182.04927	446289	"Theoretical m/z 182.049292, Mass diff 0 (0.12 ppm), SMILES OC(C)CCC1=CC=C(C=C1)Cl, Annotation [C10H13ClO-2H]+, Rule of HR False"
+189.0464	438982	"Theoretical m/z 189.046554, Mass diff 0 (0.81 ppm), SMILES C=1C=C(C=CC=1CC2CCCC2)Cl, Annotation [C12H15Cl-5H]+, Rule of HR True"
+190.13371	1020129	"Theoretical m/z 190.133874, Mass diff 0 (0.86 ppm), SMILES N=1C=NN(C=1)CC2CCCC2(C(C)C), Annotation [C11H19N3-3H]+, Rule of HR True"
+191.06201	492762	"Theoretical m/z 191.062204, Mass diff 0 (1.01 ppm), SMILES C=1C=C(C=CC=1CC2CCCC2)Cl, Annotation [C12H15Cl-3H]+, Rule of HR True"
+192.03201	235351
+193.04082	447275	"Theoretical m/z 193.041472, Mass diff 0.001 (3.38 ppm), SMILES OCC(CC1=CC=C(C=C1)Cl)CC, Annotation [C11H15ClO-5H]+, Rule of HR True"
+195.05707	857606	"Theoretical m/z 195.057123, Mass diff 0 (0.27 ppm), SMILES OCC(CC1=CC=C(C=C1)Cl)CC, Annotation [C11H15ClO-3H]+, Rule of HR True"
+197.05414	187827
+203.06204	1567899	"Theoretical m/z 203.062209, Mass diff 0 (0.83 ppm), SMILES C=1C=C(C=CC=1CC2CCCC2(C))Cl, Annotation [C13H17Cl-5H]+, Rule of HR True"
+204.07002	615694
+205.05917	694595
+206.06726	264417
+207.05704	453614	"Theoretical m/z 207.057123, Mass diff 0 (0.4 ppm), SMILES OC2CCCC2(CC1=CC=C(C=C1)Cl), Annotation [C12H15ClO-3H]+, Rule of HR True"
+208.07283	241663
+208.14427	296716	"Theoretical m/z 208.144443, Mass diff 0 (0.83 ppm), SMILES OC2(CN1N=CN=C1)(CCCC2(C(C)C)), Annotation [C11H19N3O-H]+, Rule of HR True"
+211.14803	699157	"Theoretical m/z 211.148132, Mass diff 0 (-0.48 ppm), SMILES CC1=C(C)C2=C([CH+]CCC=C(C)\C=C/2)C=C1, Annotation [C16H19]+, Rule of HR True"
+221.07266	1024262	"Theoretical m/z 221.072763, Mass diff 0 (0.47 ppm), SMILES OC2(C)(CCCC2(CC1=CC=C(C=C1)Cl)), Annotation [C13H17ClO-3H]+, Rule of HR True"
+222.08084	302324	"Theoretical m/z 222.080588, Mass diff 0 (1.14 ppm), SMILES OC2(C)(CCCC2(CC1=CC=C(C=C1)Cl)), Annotation [C13H17ClO-2H]+, Rule of HR False"
+223.06973	476220
+223.12462	240324	"Theoretical m/z 223.124805, Mass diff 0 (0.83 ppm), SMILES C=1C=C(C=CC=1CCCCCC(C)C)Cl, Annotation [C14H21Cl-H]+, Rule of HR True"
+229.15862	656532	"Theoretical m/z 229.158685, Mass diff 0 (0.28 ppm), SMILES OC2(C)(C(CC1=CC=CC=C1)CCC2(C(C)C)), Annotation [C16H24O-3H]+, Rule of HR True"
+231.09344	683317	"Theoretical m/z 231.093505, Mass diff 0 (0.28 ppm), SMILES C=1C=C(C=CC=1CC2CCC(CC)C2(C))Cl, Annotation [C15H21Cl-5H]+, Rule of HR True"
+233.10908	877548	"Theoretical m/z 233.109155, Mass diff 0 (0.32 ppm), SMILES C=1C=C(C=CC=1CC2CCC(C2)C(C)C)Cl, Annotation [C15H21Cl-3H]+, Rule of HR True"
+235.10588	223880
+246.11681	737316
+248.05836	782792	"Theoretical m/z 248.058511, Mass diff 0 (0.61 ppm), SMILES OC(CN1N=CN=C1)CCC2=CC=C(C=C2)Cl, Annotation [C12H14ClN3O-3H]+, Rule of HR True"
+248.11368	220005
+249.1039	3299884	"Theoretical m/z 249.104074, Mass diff 0 (0.7 ppm), SMILES OC2(C)(C(CC1=CC=C(C=C1)Cl)CCC2(CC)), Annotation [C15H21ClO-3H]+, Rule of HR True"
+250.05548	259300
+250.10683	494138
+251.10088	1623564
+252.10431	199882
+253.11633	191677
+262.074	712107	"Theoretical m/z 262.074151, Mass diff 0 (0.58 ppm), SMILES OC(C)(CN1N=CN=C1)CCC2=CC=C(C=C2)Cl, Annotation [C13H16ClN3O-3H]+, Rule of HR True"
+264.07089	229266
+264.12738	1390572	"Theoretical m/z 264.126203, Mass diff 0.001 (4.45 ppm), SMILES N=1C=NN(C=1)CCC(CC2=CC=C(C=C2)Cl)CC, Annotation [C14H18ClN3+H]+, Rule of HR True"
+265.13052	243719
+266.12424	446048	"Theoretical m/z 266.129337, Mass diff 0.005 (0 ppm), Formula C16H16N3O"
+272.09467	1342335	"Theoretical m/z 272.094903, Mass diff 0 (0.86 ppm), SMILES N=1C=NN(C=1)CC3CCCC3(CC2=CC=C(C=C2)Cl), Annotation [C15H18ClN3-3H]+, Rule of HR True"
+273.09802	208088
+274.09177	398722
+315.14929	843286
+317.14648	279230	"Theoretical m/z 317.142066, Mass diff -0.005 (0 ppm), Formula C18H22ClN2O"
+318.13675	472244	"Theoretical m/z 318.136768, Mass diff 0 (0.06 ppm), SMILES OC3(CN1N=CN=C1)(C(CC2=CC=C(C=C2)Cl)CCC3(CC)), Annotation [C17H22ClN3O-H]+, Rule of HR True"
+333.15979	441118	"Theoretical m/z 333.160249, Mass diff 0 (1.38 ppm), SMILES OC3(CN1N=CN=C1)(C(CC2=CC=C(C=C2)Cl)CCC3(C(C)C)), Annotation [C18H24ClN3O]+, Rule of HR False"
+
+NAME: Fuberidazole
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1921.2
+PRECURSORMZ: 184.0631
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C11H8N2O
+INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
+INCHI: 
+SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 18
+75.02293	366866	"Theoretical m/z 75.022928, Mass diff 0 (0.03 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-3H]+, Rule of HR True"
+77.03854	582142	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6-H]+, Rule of HR True"
+78.0464	672001	"Theoretical m/z 78.046403, Mass diff 0 (0.03 ppm), SMILES C=1C=CC=CC=1, Annotation [C6H6]+, Rule of HR False"
+90.03384	993572	"Theoretical m/z 90.033822, Mass diff 0 (0.2 ppm), SMILES NC=1C=CC=CC=1, Annotation [C6H7N-3H]+, Rule of HR True"
+91.05421	401085	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+92.03124	877233
+102.04637	803146	"Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6"
+103.04161	1202454	"Theoretical m/z 103.041647, Mass diff 0 (0.36 ppm), SMILES N(=C)C1=CC=CC=C1, Annotation [C7H7N-2H]+, Rule of HR False"
+104.06198	371228	"Theoretical m/z 104.0626, Mass diff 0 (0 ppm), Formula C8H8"
+128.04941	1735678	"Theoretical m/z 128.049478, Mass diff 0 (0.53 ppm), SMILES N(=CC=C)C1=CC=CC=C1, Annotation [C9H9N-3H]+, Rule of HR True"
+129.04462	4268916	"Theoretical m/z 129.044717, Mass diff 0 (0.75 ppm), SMILES N=1C2=CC=CC=C2(NC=1C), Annotation [C8H8N2-3H]+, Rule of HR True"
+130.03987	1771538	"Theoretical m/z 130.041865, Mass diff 0.001 (0 ppm), Formula C9H6O"
+155.06026	9084013	"Theoretical m/z 155.060373, Mass diff 0 (0.73 ppm), SMILES N1=C(C=CC)NC2=CC=CC=C12, Annotation [C10H10N2-3H]+, Rule of HR True"
+156.06798	8949166	"Theoretical m/z 156.068198, Mass diff 0 (1.4 ppm), SMILES N1=C(C=CC)NC2=CC=CC=C12, Annotation [C10H10N2-2H]+, Rule of HR False"
+157.07146	861910
+183.05537	5751322	"Theoretical m/z 183.055838, Mass diff 0 (0 ppm), Formula C11H7N2O"
+184.06306	33889968	"Theoretical m/z 184.063111, Mass diff 0 (0.28 ppm), SMILES N=1C3=CC=CC=C3(NC=1C=2OC=CC=2), Annotation [C11H8N2O]+, Rule of HR False"
+185.0663	4265171
+
+
+NAME: Fenpropimorph_isomer1
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1911.8
+PRECURSORMZ: 303.25565
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H33NO
+INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
+INCHI: 
+SMILES: CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 10
+86.05997	179818	"Theoretical m/z 86.060037, Mass diff 0 (0.78 ppm), SMILES OC(C)CNC, Annotation [C4H11NO-3H]+, Rule of HR True"
+91.05418	208328	"Theoretical m/z 91.054226, Mass diff 0 (0.5 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+110.09638	444312	"Theoretical m/z 110.096428, Mass diff 0 (-0.44 ppm), SMILES CCC1=[N+](C)CC=C1, Annotation [C7H12N]+, Rule of HR True"
+126.06744	159501
+126.09129	184545	"Theoretical m/z 126.091338, Mass diff 0 (0.38 ppm), SMILES OC(C)CN(C)CCC, Annotation [C7H17NO-5H]+, Rule of HR True"
+128.10686	11155056	"Theoretical m/z 128.106983, Mass diff 0 (0.96 ppm), SMILES O1C(C)CN(C)CC1C, Annotation [C7H15NO-H]+, Rule of HR True"
+129.06969	977330	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+131.0854	192796	"Theoretical m/z 131.085519, Mass diff 0 (0.91 ppm), SMILES C=1C=C(C=CC=1C)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+147.08029	188461	"Theoretical m/z 147.08099, Mass diff 0 (0 ppm), Formula C10H11O"
+303.25565	138525	"Theoretical m/z 303.255677, Mass diff 0 (0.09 ppm), SMILES O1C(C)CN(CC1C)CC(C)CC2=CC=C(C=C2)C(C)(C)C, Annotation [C20H33NO]+, Rule of HR False"
+
+NAME: Fenpropimorph_isomer2
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1954.8
+PRECURSORMZ: 303.25555
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H33NO
+INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
+INCHI: 
+SMILES: CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 14
+70.0651	20307440	"Theoretical m/z 70.065126, Mass diff 0 (0.37 ppm), SMILES N(C)CCC, Annotation [C4H11N-3H]+, Rule of HR True"
+84.08075	9429270	"Theoretical m/z 84.080772, Mass diff 0 (-0.27 ppm), SMILES C[N+]1=CCCC1, Annotation [C5H10N]+, Rule of HR True"
+86.05998	14735932	"Theoretical m/z 86.060037, Mass diff 0 (0.66 ppm), SMILES OC(C)CNC, Annotation [C4H11NO-3H]+, Rule of HR True"
+91.05418	16775366	"Theoretical m/z 91.054226, Mass diff 0 (0.5 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+105.06986	5865755	"Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9"
+110.09638	68981208	"Theoretical m/z 110.096428, Mass diff 0 (-0.44 ppm), SMILES CCC1=[N+](C)CC=C1, Annotation [C7H12N]+, Rule of HR True"
+115.05417	11662899	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+117.06978	26159858	"Theoretical m/z 117.069879, Mass diff 0 (0.84 ppm), SMILES C1=CC=C(C=C1)CCC, Annotation [C9H12-3H]+, Rule of HR True"
+128.10686	552684096	"Theoretical m/z 128.106983, Mass diff 0 (0.96 ppm), SMILES O1C(C)CN(C)CC1C, Annotation [C7H15NO-H]+, Rule of HR True"
+129.11005	49092144
+131.08536	12380929	"Theoretical m/z 131.085519, Mass diff 0 (1.21 ppm), SMILES C=1C=C(C=CC=1C)C(C)C, Annotation [C10H14-3H]+, Rule of HR True"
+145.10107	15727732	"Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13"
+173.13243	14628819	"Theoretical m/z 173.13247, Mass diff 0 (0.23 ppm), SMILES C=1C=C(C=CC=1CCC)C(C)(C)C, Annotation [C13H20-3H]+, Rule of HR True"
+303.25555	8990729	"Theoretical m/z 303.255677, Mass diff 0 (0.42 ppm), SMILES O1C(C)CN(CC1C)CC(C)CC2=CC=C(C=C2)C(C)(C)C, Annotation [C20H33NO]+, Rule of HR False"
+
+NAME: Spirodiclofen
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2708.9
+PRECURSORMZ: 355.0697
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H24Cl2O4
+INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 112
+67.05418	793767	"Theoretical m/z 67.054229, Mass diff 0 (0.73 ppm), SMILES CCCCC, Annotation [C5H12-5H]+, Rule of HR True"
+69.06983	1078922	"Theoretical m/z 69.069879, Mass diff 0 (0.71 ppm), SMILES CCCCC, Annotation [C5H12-3H]+, Rule of HR True"
+70.07768	577399	"Theoretical m/z 70.077704, Mass diff 0 (0.34 ppm), SMILES CCC(C)C, Annotation [C5H12-2H]+, Rule of HR False"
+71.08548	56536816	"Theoretical m/z 71.085529, Mass diff 0 (0.69 ppm), SMILES CCC(C)C, Annotation [C5H12-H]+, Rule of HR True"
+72.08881	3225862
+72.98389	648038	"Theoretical m/z 72.984503, Mass diff 0 (0 ppm), Formula C3H2Cl"
+73.04674	722811
+77.03853	584677	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+79.05418	2076981	"Theoretical m/z 79.054775, Mass diff 0 (0 ppm), Formula C6H7"
+81.06986	5217548	"Theoretical m/z 81.069878, Mass diff 0 (-0.22 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+85.10114	623731	"Theoretical m/z 85.101179, Mass diff 0 (0.46 ppm), SMILES C1CCCCC1, Annotation [C6H12+H]+, Rule of HR True"
+86.01503	894576	"Theoretical m/z 86.01565, Mass diff 0 (0 ppm), Formula C7H2"
+87.0229	3033692	"Theoretical m/z 87.023475, Mass diff 0 (0 ppm), Formula C7H3"
+96.98394	1989493	"Theoretical m/z 96.984503, Mass diff 0 (0 ppm), Formula C5H2Cl"
+98.98093	1039683
+99.08037	2470348	"Theoretical m/z 99.080444, Mass diff 0 (-0.75 ppm), SMILES [OH+]=C1CCCCC1, Annotation [C6H11O]+, Rule of HR True"
+106.94493	1625718	"Theoretical m/z 106.94553, Mass diff 0 (0 ppm), Formula C3HCl2"
+108.94199	1335406
+109.06474	12611894	"Theoretical m/z 109.064788, Mass diff 0 (0.44 ppm), SMILES OCC1CCCCC1, Annotation [C7H14O-5H]+, Rule of HR True"
+110.10894	821321
+115.05412	586960	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+120.9839	744950	"Theoretical m/z 120.983954, Mass diff 0 (0.45 ppm), SMILES C=1C=CC(=C(C=1)C)Cl, Annotation [C7H7Cl-5H]+, Rule of HR True"
+121.99167	2286094
+122.99945	4078054	"Theoretical m/z 122.999605, Mass diff 0 (1.26 ppm), SMILES C=1C=CC(=C(C=1)C)Cl, Annotation [C7H7Cl-3H]+, Rule of HR True"
+123.98871	1046432
+124.99653	1479155
+139.05414	930959	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+149.01517	590093	"Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl"
+150.02309	618264
+151.01216	588830
+152.06189	1180781
+153.05449	1727292	"Theoretical m/z 153.054626, Mass diff 0 (0.89 ppm), SMILES O=COCC1(O)(CCCCC1), Annotation [C8H14O3-5H]+, Rule of HR True"
+156.96056	38544056	"Theoretical m/z 156.960626, Mass diff 0 (0.42 ppm), SMILES C1=CC(=C(C=C1Cl)Cl)C, Annotation [C7H6Cl2-3H]+, Rule of HR True"
+157.96393	3953012
+158.95756	26516482
+159.96098	2873824
+160.95456	5088790
+162.02293	969978
+165.00996	637221	"Theoretical m/z 165.010717, Mass diff 0 (0 ppm), Formula C9H6ClO"
+165.06976	901499	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+172.95544	2434012	"Theoretical m/z 172.956095, Mass diff 0 (0 ppm), Formula C7H3Cl2O"
+172.96677	598756	"Theoretical m/z 172.964161, Mass diff -0.003 (0 ppm), Formula C6H2ClO4"
+174.95253	1385214
+178.07748	593661	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.0854	772918	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+181.00473	651363	"Theoretical m/z 181.005632, Mass diff 0 (0 ppm), Formula C9H6ClO2"
+182.97621	1311860	"Theoretical m/z 182.976831, Mass diff 0 (0 ppm), Formula C9H5Cl2"
+184.95549	16351876	"Theoretical m/z 184.955545, Mass diff 0 (0.3 ppm), SMILES O=CCC=1C=CC(=CC=1Cl)Cl, Annotation [C8H6Cl2O-3H]+, Rule of HR True"
+185.96332	3179122
+186.9525	9855636
+187.9604	1871133
+188.94949	1605572
+193.00499	739290	"Theoretical m/z 193.005632, Mass diff 0 (0 ppm), Formula C10H6ClO2"
+194.98427	7513598	"Theoretical m/z 194.984897, Mass diff 0 (0 ppm), Formula C9H4ClO3"
+195.98772	689211
+196.98112	2681645	"Theoretical m/z 196.979417, Mass diff -0.002 (0 ppm), Formula C12H2ClO"
+198.9888	630566
+203.0622	1237348	"Theoretical m/z 203.062753, Mass diff 0 (0 ppm), Formula C13H12Cl"
+205.00513	772854	"Theoretical m/z 205.005632, Mass diff 0 (0 ppm), Formula C11H6ClO2"
+208.99983	1149129	"Theoretical m/z 209.000547, Mass diff 0 (0 ppm), Formula C10H6ClO3"
+212.95032	9069948	"Theoretical m/z 212.950464, Mass diff 0 (0.67 ppm), SMILES O=COC=CC=1C=CC(=CC=1Cl)Cl, Annotation [C9H6Cl2O2-3H]+, Rule of HR True"
+213.95361	827368
+214.94734	5844187	"Theoretical m/z 214.94553, Mass diff -0.002 (0 ppm), Formula C12HCl2"
+215.0622	717804	"Theoretical m/z 215.062753, Mass diff 0 (0 ppm), Formula C14H12Cl"
+216.94455	1200477
+220.99991	2527743	"Theoretical m/z 221.000547, Mass diff 0 (0 ppm), Formula C11H6ClO3"
+222.99702	1010379	"Theoretical m/z 222.995067, Mass diff -0.003 (0 ppm), Formula C14H4ClO"
+229.95314	5882692
+230.96129	2929632	"Theoretical m/z 230.961033, Mass diff 0 (1.11 ppm), SMILES O=C(O)C(=CO)C=1C=CC(=CC=1Cl)Cl, Annotation [C9H6Cl2O3-H]+, Rule of HR True"
+231.05702	3383059	"Theoretical m/z 231.057668, Mass diff 0 (0 ppm), Formula C14H12ClO"
+231.95016	4055450
+232.95822	1879972	"Theoretical m/z 232.956095, Mass diff -0.003 (0 ppm), Formula C12H3Cl2O"
+233.07263	2744165	"Theoretical m/z 233.073318, Mass diff 0 (0 ppm), Formula C14H14ClO"
+233.9471	620373
+240.98149	2823639	"Theoretical m/z 240.981769, Mass diff 0 (1.16 ppm), SMILES O=C1OC(C=C1C=2C=CC(=CC=2Cl)Cl)C, Annotation [C11H8Cl2O2-H]+, Rule of HR True"
+241.04132	1149427	"Theoretical m/z 241.042018, Mass diff 0 (0 ppm), Formula C15H10ClO"
+242.97868	2126894	"Theoretical m/z 242.976831, Mass diff -0.002 (0 ppm), Formula C14H5Cl2"
+243.0683	1057429	"Theoretical m/z 243.065734, Mass diff -0.003 (0 ppm), Formula C14H11O4"
+249.02307	779724	"Theoretical m/z 249.023238, Mass diff 0 (0.68 ppm), SMILES C1=CC(=CC(=C1C=CC2CCCCC2)Cl)Cl, Annotation [C14H16Cl2-5H]+, Rule of HR True"
+249.06749	7548206	"Theoretical m/z 249.067682, Mass diff 0 (0.77 ppm), SMILES O=C(OC=CC=1C=CC=CC=1Cl)C(C)(C)CC, Annotation [C14H17ClO2-3H]+, Rule of HR True"
+250.07083	1063661
+251.02005	574268	"Theoretical m/z 251.024175, Mass diff 0.004 (0 ppm), Formula C10H13Cl2O3"
+251.06451	2669247	"Theoretical m/z 251.062753, Mass diff -0.002 (0 ppm), Formula C17H12Cl"
+252.00992	659834
+255.96852	767131
+256.97665	2332021	"Theoretical m/z 256.976673, Mass diff 0 (0.09 ppm), SMILES O=C1OC(C(O)=C1C=2C=CC(=CC=2Cl)Cl)C, Annotation [C11H8Cl2O3-H]+, Rule of HR True"
+257.96573	698754
+258.04419	1555019
+258.97388	1387856	"Theoretical m/z 258.971745, Mass diff -0.003 (0 ppm), Formula C14H5Cl2O"
+259.05191	44058220	"Theoretical m/z 259.052026, Mass diff 0 (0.45 ppm), SMILES O=C1OC3(C=C1C=2C=CC=CC=2Cl)(CCCCC3), Annotation [C15H15ClO2-3H]+, Rule of HR True"
+260.05512	7488649
+261.04892	13633221
+262.05216	2177265
+266.02585	824214
+267.03388	982686	"Theoretical m/z 267.033807, Mass diff 0 (0.27 ppm), SMILES OC(=CC=1C=CC(=CC=1Cl)Cl)C2CCCCC2, Annotation [C14H16Cl2O-3H]+, Rule of HR True"
+270.99219	759541	"Theoretical m/z 270.992328, Mass diff 0 (0.51 ppm), SMILES O=C1OC(C(O)=C1C=2C=CC(=CC=2Cl)Cl)(C)C, Annotation [C12H10Cl2O3-H]+, Rule of HR True"
+277.06253	24436246	"Theoretical m/z 277.06261, Mass diff 0 (0.29 ppm), SMILES O=C1OC3(C(O)=C1C=2C=CC=CC=2Cl)(CCCCC3), Annotation [C15H15ClO3-H]+, Rule of HR True"
+278.0658	4134138
+279.05954	7898326	"Theoretical m/z 279.057668, Mass diff -0.002 (0 ppm), Formula C18H12ClO"
+280.06287	1256777
+284.03659	771925
+294.02063	16094732
+295.02481	3910232
+296.01785	10630813
+297.008	5716267	"Theoretical m/z 297.007989, Mass diff 0 (0.04 ppm), SMILES O=CC(=COC(=O)C(C)CC)C=1C=CC(=CC=1Cl)Cl, Annotation [C14H14Cl2O3-3H]+, Rule of HR True"
+298.01511	1753246
+299.00485	2460292	"Theoretical m/z 299.003045, Mass diff -0.002 (0 ppm), Formula C17H9Cl2O"
+312.03119	28511522
+313.03818	4834795
+314.02814	18075084
+315.03473	2876409
+316.02545	3211035
+
+NAME: Spiromesifen
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2456.3
+PRECURSORMZ: 370.2135
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C23H30O4
+INCHIKEY: GOLXNESZZPUPJE-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 90
+67.05415	3175431	"Theoretical m/z 67.054223, Mass diff 0 (1.09 ppm), SMILES C1CCCC1, Annotation [C5H10-3H]+, Rule of HR True"
+71.08546	10402680	"Theoretical m/z 71.085529, Mass diff 0 (0.97 ppm), SMILES CC(C)(C)C, Annotation [C5H12-H]+, Rule of HR True"
+77.03849	1721251	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+83.08543	2027139	"Theoretical m/z 83.085529, Mass diff 0 (1.19 ppm), SMILES CC1CCCC1, Annotation [C6H12-H]+, Rule of HR True"
+91.05416	16935472	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+95.04903	6679960	"Theoretical m/z 95.049141, Mass diff 0 (-1.17 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+99.08034	8274780	"Theoretical m/z 99.080444, Mass diff 0 (-1.05 ppm), SMILES [OH+]=C1CCCCC1, Annotation [C6H11O]+, Rule of HR True"
+103.05415	1578023	"Theoretical m/z 103.054223, Mass diff 0 (0.71 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-3H]+, Rule of HR True"
+105.06977	1526270	"Theoretical m/z 105.069873, Mass diff 0 (0.98 ppm), SMILES C1=CC(=CC(=C1)C)C, Annotation [C8H10-H]+, Rule of HR True"
+115.05413	20123018	"Theoretical m/z 115.054229, Mass diff 0 (0.86 ppm), SMILES C1=CC(=C(C(=C1)C)C)C, Annotation [C9H12-5H]+, Rule of HR True"
+116.06194	11668802	"Theoretical m/z 116.062054, Mass diff 0 (0.98 ppm), SMILES C1=CC(=C(C(=C1)C)C)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.06976	4168136	"Theoretical m/z 117.069879, Mass diff 0 (1.02 ppm), SMILES C1=CC(=C(C(=C1)C)C)C, Annotation [C9H12-3H]+, Rule of HR True"
+119.08542	2745308	"Theoretical m/z 119.085529, Mass diff 0 (0.92 ppm), SMILES C1=C(C=C(C=C1C)C)C, Annotation [C9H12-H]+, Rule of HR True"
+127.05405	1711000	"Theoretical m/z 127.054775, Mass diff 0 (0 ppm), Formula C10H7"
+128.06189	11350620	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.0697	10933793	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07759	4526740
+131.0854	12743778	"Theoretical m/z 131.085519, Mass diff 0 (0.91 ppm), SMILES C1=C(C=C(C(=C1C)C)C)C, Annotation [C10H14-3H]+, Rule of HR True"
+132.09314	3010624	"Theoretical m/z 132.093344, Mass diff 0 (1.55 ppm), SMILES C1=C(C=C(C(=C1C)C)C)C, Annotation [C10H14-2H]+, Rule of HR False"
+141.06972	5024998	"Theoretical m/z 141.069869, Mass diff 0 (1.06 ppm), SMILES C=CC1=C(C=C(C=C1C)C)C, Annotation [C11H14-5H]+, Rule of HR True"
+142.07761	3827966
+143.08542	2925609	"Theoretical m/z 143.085519, Mass diff 0 (0.69 ppm), SMILES C=CC1=C(C=C(C=C1C)C)C, Annotation [C11H14-3H]+, Rule of HR True"
+144.09323	3317437	"Theoretical m/z 144.093344, Mass diff 0 (0.79 ppm), SMILES C=CC1=C(C=C(C=C1C)C)C, Annotation [C11H14-2H]+, Rule of HR False"
+145.06467	3400779	"Theoretical m/z 145.064798, Mass diff 0 (0.88 ppm), SMILES O=CCC1=C(C=CC=C1C)C, Annotation [C10H12O-3H]+, Rule of HR True"
+152.06189	2354152
+153.06967	3298232	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07744	1529168
+155.0853	5865959	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.0932	2631832
+157.10107	4453549	"Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13"
+158.07253	4507125
+159.08028	8640870	"Theoretical m/z 159.080438, Mass diff 0 (0.99 ppm), SMILES OC=CC1=C(C=C(C=C1C)C)C, Annotation [C11H14O-3H]+, Rule of HR True"
+160.08809	5180084
+161.09592	1506787	"Theoretical m/z 161.096088, Mass diff 0 (1.04 ppm), SMILES OC=CC1=C(C=C(C=C1C)C)C, Annotation [C11H14O-H]+, Rule of HR True"
+165.06975	3997219	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07758	1776239	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.0854	3987655	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+168.09316	1514487
+169.10103	6590463	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+170.07246	7081722
+171.08025	2588819	"Theoretical m/z 171.080438, Mass diff 0 (1.1 ppm), SMILES O=CC(=C)C1=C(C=C(C=C1C)C)C, Annotation [C12H14O-3H]+, Rule of HR True"
+178.0775	1949188	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08528	2769332	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+181.10097	2305548	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+182.10893	3962598
+183.11668	7325449	"Theoretical m/z 183.117375, Mass diff 0 (0 ppm), Formula C14H15"
+184.08807	2534218
+185.09599	8064514	"Theoretical m/z 185.09664, Mass diff 0 (0 ppm), Formula C13H13O"
+186.06738	17220584
+187.07513	9154091	"Theoretical m/z 187.075357, Mass diff 0 (1.21 ppm), SMILES O=COC=CC1=C(C=C(C=C1C)C)C, Annotation [C12H14O2-3H]+, Rule of HR True"
+188.08292	4233670
+192.09303	1904970
+193.10106	6213482	"Theoretical m/z 193.101725, Mass diff 0 (0 ppm), Formula C15H13"
+194.10886	2035632
+195.11668	6948106	"Theoretical m/z 195.117375, Mass diff 0 (0 ppm), Formula C15H15"
+196.11995	1595436
+197.09596	1929622	"Theoretical m/z 197.09664, Mass diff 0 (0 ppm), Formula C14H13O"
+197.13232	5787302	"Theoretical m/z 197.133026, Mass diff 0 (0 ppm), Formula C15H17"
+198.14017	5509288
+199.14793	3398347	"Theoretical m/z 199.148676, Mass diff 0 (0 ppm), Formula C15H19"
+207.11671	1954001	"Theoretical m/z 207.117375, Mass diff 0 (0 ppm), Formula C16H15"
+208.12457	18381930
+209.13242	30892888	"Theoretical m/z 209.132476, Mass diff 0 (0.27 ppm), SMILES C(=CC1CCCC1)C2=C(C=C(C=C2C)C)C, Annotation [C16H22-5H]+, Rule of HR True"
+210.14017	12362465
+211.11157	7293429	"Theoretical m/z 211.11229, Mass diff 0 (0 ppm), Formula C15H15O"
+212.08301	12313432	"Theoretical m/z 212.083187, Mass diff 0 (0.84 ppm), SMILES O=C1OC(C=C1C2=C(C=C(C=C2C)C)C)C, Annotation [C14H16O2-4H]+, Rule of HR False"
+213.09078	8145667	"Theoretical m/z 213.091012, Mass diff 0 (1.09 ppm), SMILES O=C1OC(C=C1C2=C(C=C(C=C2C)C)C)C, Annotation [C14H16O2-3H]+, Rule of HR True"
+221.09599	3977114	"Theoretical m/z 221.09664, Mass diff 0 (0 ppm), Formula C16H13O"
+225.09082	5378136	"Theoretical m/z 225.091003, Mass diff 0 (0.81 ppm), SMILES O=C1OC(C=C1C2=C(C=C(C=C2C)C)C)(C)C, Annotation [C15H18O2-5H]+, Rule of HR True"
+226.13502	33648808
+227.14288	8730699
+231.10144	22586628	"Theoretical m/z 231.101566, Mass diff 0 (0.55 ppm), SMILES O=CC(=COC(=O)C)C1=C(C=C(C=C1C)C)C, Annotation [C14H16O3-H]+, Rule of HR True"
+232.10477	3282188
+236.11935	17187076
+237.1272	5369130
+239.1064	9499207	"Theoretical m/z 239.106658, Mass diff 0 (1.08 ppm), SMILES O=C1OC(C=C1C2=C(C=C(C=C2C)C)C)CCC, Annotation [C16H20O2-5H]+, Rule of HR True"
+240.10962	1498443
+244.14571	5107092
+253.12219	2480653	"Theoretical m/z 253.122314, Mass diff 0 (0.49 ppm), SMILES O=COC(=CC1=C(C=C(C=C1C)C)C)C2CCCC2, Annotation [C17H22O2-5H]+, Rule of HR True"
+254.12984	147919168
+255.13251	23493706
+256.1351	2330954
+257.11691	2918090	"Theoretical m/z 257.117212, Mass diff 0 (1.17 ppm), SMILES O=C1OC(C(O)=C1C2=C(C=C(C=C2C)C)C)CCC, Annotation [C16H20O3-3H]+, Rule of HR True"
+271.13251	1916258	"Theoretical m/z 271.132862, Mass diff 0 (1.3 ppm), SMILES O=C1OC3(C(O)=C1C2=C(C=C(C=C2C)C)C)(CCCC3), Annotation [C17H20O3-H]+, Rule of HR True"
+272.14035	132784976
+273.14786	31357560
+274.15247	4682224
+296.14047	5468397
+352.203	3697482
+370.2135	3727782	"Theoretical m/z 370.213868, Mass diff 0 (0.99 ppm), SMILES O=C1OC3(C(OC(=O)CC(C)(C)C)=C1C2=C(C=C(C=C2C)C)C)(CCCC3), Annotation [C23H30O4]+, Rule of HR False"
+
+NAME: Spirotetramat
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2767.8
+PRECURSORMZ: 373.18823
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H27NO5
+INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
+INCHI: 
+SMILES: CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 158
+73.04674	419679
+77.03853	488761	"Theoretical m/z 77.039125, Mass diff 0 (0 ppm), Formula C6H5"
+78.04638	157046	"Theoretical m/z 78.046404, Mass diff 0 (0.3 ppm), SMILES C1CCCCC1, Annotation [C6H12-6H]+, Rule of HR False"
+79.0542	542839	"Theoretical m/z 79.054229, Mass diff 0 (0.36 ppm), SMILES C1CCCCC1, Annotation [C6H12-5H]+, Rule of HR True"
+80.062	266705	"Theoretical m/z 80.062054, Mass diff 0 (0.67 ppm), SMILES C1CCCCC1, Annotation [C6H12-4H]+, Rule of HR False"
+89.03854	320649	"Theoretical m/z 89.038575, Mass diff 0 (0.4 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-3H]+, Rule of HR True"
+91.05421	2121538	"Theoretical m/z 91.054226, Mass diff 0 (0.17 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.06202	163409	"Theoretical m/z 92.062051, Mass diff 0 (0.33 ppm), SMILES C=1C=CC(=CC=1)C, Annotation [C7H8]+, Rule of HR False"
+94.07769	468607	"Theoretical m/z 94.07825, Mass diff 0 (0 ppm), Formula C7H10"
+96.09329	1322750	"Theoretical m/z 96.0939, Mass diff 0 (0 ppm), Formula C7H12"
+99.11678	127279	"Theoretical m/z 99.117375, Mass diff 0 (0 ppm), Formula C7H15"
+102.04637	343944	"Theoretical m/z 102.046398, Mass diff 0 (0.28 ppm), SMILES C=1C=CC(=C(C=1)C)C, Annotation [C8H10-4H]+, Rule of HR False"
+103.05421	442183	"Theoretical m/z 103.054223, Mass diff 0 (0.13 ppm), SMILES C=1C=CC(=C(C=1)C)C, Annotation [C8H10-3H]+, Rule of HR True"
+105.06986	134875	"Theoretical m/z 105.069873, Mass diff 0 (0.13 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10-H]+, Rule of HR True"
+106.0776	129459	"Theoretical m/z 106.077698, Mass diff 0 (0.93 ppm), SMILES C=1C=C(C=CC=1C)C, Annotation [C8H10]+, Rule of HR False"
+111.08041	439146	"Theoretical m/z 111.080438, Mass diff 0 (0.25 ppm), SMILES O(C)C1CCCCC1, Annotation [C7H14O-3H]+, Rule of HR True"
+111.11678	471357	"Theoretical m/z 111.117375, Mass diff 0 (0 ppm), Formula C8H15"
+115.05417	6630081	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06196	1568312	"Theoretical m/z 116.062054, Mass diff 0 (0.81 ppm), SMILES C1=CC(=C(C=C1C)C)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.06979	5320544	"Theoretical m/z 117.069879, Mass diff 0 (0.76 ppm), SMILES C1=CC(=C(C=C1C)C)C, Annotation [C9H12-3H]+, Rule of HR True"
+118.07761	1694037
+119.08546	671013	"Theoretical m/z 119.085529, Mass diff 0 (0.58 ppm), SMILES C1=CC(=C(C=C1C)C)C, Annotation [C9H12-H]+, Rule of HR True"
+120.09328	156505
+122.10891	271239
+127.05402	261296	"Theoretical m/z 127.054229, Mass diff 0 (1.64 ppm), SMILES C=CC=1C=C(C=CC=1C)C, Annotation [C10H12-5H]+, Rule of HR True"
+128.06192	1996886	"Theoretical m/z 128.062054, Mass diff 0 (1.05 ppm), SMILES C=CC=1C=C(C=CC=1C)C, Annotation [C10H12-4H]+, Rule of HR False"
+128.10692	572008	"Theoretical m/z 128.106983, Mass diff 0 (0.49 ppm), SMILES O(C)C1CCC(N)CC1, Annotation [C7H15NO-H]+, Rule of HR True"
+129.06973	1063072	"Theoretical m/z 129.069879, Mass diff 0 (1.15 ppm), SMILES C=CC=1C=C(C=CC=1C)C, Annotation [C10H12-3H]+, Rule of HR True"
+130.07761	495700
+131.08545	1517879	"Theoretical m/z 131.085529, Mass diff 0 (0.6 ppm), SMILES C=CC=1C=C(C=CC=1C)C, Annotation [C10H12-H]+, Rule of HR True"
+132.08881	361546
+134.10892	110530	"Theoretical m/z 134.10955, Mass diff 0 (0 ppm), Formula C10H14"
+139.05405	112824	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.06973	628759	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07764	490025
+143.08543	1401568	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.08075	945259
+145.06468	2625938	"Theoretical m/z 145.064798, Mass diff 0 (0.81 ppm), SMILES OC=CC=1C=C(C=CC=1C)C, Annotation [C10H12O-3H]+, Rule of HR True"
+146.07248	2393155	"Theoretical m/z 146.072623, Mass diff 0 (0.98 ppm), SMILES OC=CC=1C=C(C=CC=1C)C, Annotation [C10H12O-2H]+, Rule of HR False"
+147.08037	413275	"Theoretical m/z 147.080448, Mass diff 0 (0.53 ppm), SMILES OC=CC=1C=C(C=CC=1C)C, Annotation [C10H12O-H]+, Rule of HR True"
+147.11673	455891	"Theoretical m/z 147.117375, Mass diff 0 (0 ppm), Formula C11H15"
+152.06187	270475
+153.06967	537101	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07761	315187
+155.08542	1076571	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.05662	841178
+157.10123	701427	"Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13"
+158.09634	580466
+159.08037	990971	"Theoretical m/z 159.080448, Mass diff 0 (0.49 ppm), SMILES O=CC(=C)C=1C=C(C=CC=1C)C, Annotation [C11H12O-H]+, Rule of HR True"
+160.07573	209870	"Theoretical m/z 160.075693, Mass diff 0 (0.23 ppm), SMILES O=C(N)CC=1C=C(C=CC=1C)C, Annotation [C10H13NO-3H]+, Rule of HR True"
+165.06976	600233	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07764	282917	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.08537	514310	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+168.0806	303789
+169.10106	479467	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+170.09624	555769
+171.08028	1517056	"Theoretical m/z 171.08099, Mass diff 0 (0 ppm), Formula C12H11O"
+172.05176	1242323
+172.08815	876870
+173.05971	1191106	"Theoretical m/z 173.059701, Mass diff 0 (0.05 ppm), SMILES O=CC(=CO)C=1C=C(C=CC=1C)C, Annotation [C11H12O2-3H]+, Rule of HR True"
+173.13229	346872	"Theoretical m/z 173.133026, Mass diff 0 (0 ppm), Formula C13H17"
+174.10391	910681
+175.07535	139017	"Theoretical m/z 175.075351, Mass diff 0 (0.01 ppm), SMILES O=CC(=CO)C=1C=C(C=CC=1C)C, Annotation [C11H12O2-H]+, Rule of HR True"
+177.16368	233485	"Theoretical m/z 177.164326, Mass diff 0 (0 ppm), Formula C13H21"
+178.07765	295164	"Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10"
+179.08542	421821	"Theoretical m/z 179.086075, Mass diff 0 (0 ppm), Formula C14H11"
+180.09328	497226
+181.10103	283412	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+182.10895	406235
+183.08043	558768	"Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O"
+184.08806	359278
+185.09596	379952	"Theoretical m/z 185.09664, Mass diff 0 (0 ppm), Formula C13H13O"
+186.09111	430502	"Theoretical m/z 186.091343, Mass diff 0 (1.25 ppm), SMILES O=C1NCC=C1C=2C=C(C=CC=2C)C, Annotation [C12H13NO-H]+, Rule of HR True"
+187.09892	162270
+187.14798	183957	"Theoretical m/z 187.148676, Mass diff 0 (0 ppm), Formula C14H19"
+191.08524	132095	"Theoretical m/z 191.086075, Mass diff 0 (0 ppm), Formula C15H11"
+191.17931	144081	"Theoretical m/z 191.179976, Mass diff 0 (0 ppm), Formula C14H23"
+192.09314	283467
+193.10104	212200	"Theoretical m/z 193.101725, Mass diff 0 (0 ppm), Formula C15H13"
+194.09656	347199	"Theoretical m/z 194.096974, Mass diff 0 (0 ppm), Formula C14H12N"
+195.11685	678645	"Theoretical m/z 195.117375, Mass diff 0 (0 ppm), Formula C15H15"
+196.07579	423849	"Theoretical m/z 196.075683, Mass diff 0 (0.55 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)C, Annotation [C13H15NO-5H]+, Rule of HR True"
+197.08342	440174
+197.13214	888276	"Theoretical m/z 197.133026, Mass diff 0 (0 ppm), Formula C15H17"
+198.09129	2199988	"Theoretical m/z 198.091333, Mass diff 0 (0.22 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)C, Annotation [C13H15NO-3H]+, Rule of HR True"
+199.09457	405860
+200.0706	1396615	"Theoretical m/z 200.070611, Mass diff 0 (0.06 ppm), SMILES O=C1NCC(O)=C1C=2C=C(C=CC=2C)C, Annotation [C12H13NO2-3H]+, Rule of HR True"
+201.07831	179192
+203.09396	284650	"Theoretical m/z 203.094086, Mass diff 0 (0.62 ppm), SMILES O=C1NCC(O)=C1C=2C=C(C=CC=2C)C, Annotation [C12H13NO2]+, Rule of HR False"
+205.10115	174329	"Theoretical m/z 205.101725, Mass diff 0 (0 ppm), Formula C16H13"
+207.11682	581051	"Theoretical m/z 207.117375, Mass diff 0 (0 ppm), Formula C16H15"
+208.07297	213793	"Theoretical m/z 208.076239, Mass diff 0.003 (0 ppm), Formula C14H10NO"
+209.09608	137784	"Theoretical m/z 209.09664, Mass diff 0 (0 ppm), Formula C15H13O"
+209.13245	837217	"Theoretical m/z 209.133026, Mass diff 0 (0 ppm), Formula C16H17"
+210.09126	497577	"Theoretical m/z 210.091338, Mass diff 0 (0.37 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)CC, Annotation [C14H17NO-5H]+, Rule of HR True"
+211.09911	3955962	"Theoretical m/z 211.099163, Mass diff 0 (0.25 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)CC, Annotation [C14H17NO-4H]+, Rule of HR False"
+212.10693	2361240	"Theoretical m/z 212.106988, Mass diff 0 (0.27 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)CC, Annotation [C14H17NO-3H]+, Rule of HR True"
+213.09084	441211
+214.08612	9047846	"Theoretical m/z 214.086252, Mass diff 0 (0.61 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)C, Annotation [C13H15NO2-3H]+, Rule of HR True"
+215.08949	1820005
+216.1019	5444286	"Theoretical m/z 216.101902, Mass diff 0 (0.01 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)C, Annotation [C13H15NO2-H]+, Rule of HR True"
+217.10535	768753
+222.12747	315183	"Theoretical m/z 222.125594, Mass diff -0.002 (0 ppm), Formula C13H18O3"
+223.11153	326853	"Theoretical m/z 223.11229, Mass diff 0 (0 ppm), Formula C16H15O"
+224.10692	687946	"Theoretical m/z 224.106994, Mass diff 0 (0.33 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)(C)CC, Annotation [C15H19NO-5H]+, Rule of HR True"
+225.12721	347500	"Theoretical m/z 225.12794, Mass diff 0 (0 ppm), Formula C16H17O"
+226.12257	1220713	"Theoretical m/z 226.122644, Mass diff 0 (0.33 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)(C)CC, Annotation [C15H19NO-3H]+, Rule of HR True"
+227.09387	307940	"Theoretical m/z 227.094082, Mass diff 0 (0.93 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)CC, Annotation [C14H17NO2-4H]+, Rule of HR False"
+228.10187	1044148	"Theoretical m/z 228.101907, Mass diff 0 (0.16 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)CC, Annotation [C14H17NO2-3H]+, Rule of HR True"
+229.10986	859521	"Theoretical m/z 229.109732, Mass diff 0 (0.56 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)CC, Annotation [C14H17NO2-2H]+, Rule of HR False"
+230.11803	196658	"Theoretical m/z 230.117557, Mass diff 0 (2.05 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)CC, Annotation [C14H17NO2-H]+, Rule of HR True"
+235.11163	1824266	"Theoretical m/z 235.11229, Mass diff 0 (0 ppm), Formula C17H15O"
+236.11472	450961
+238.12224	140535	"Theoretical m/z 238.122634, Mass diff 0 (1.65 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)(CC)CC, Annotation [C16H21NO-5H]+, Rule of HR True"
+239.13011	232450	"Theoretical m/z 239.130459, Mass diff 0 (1.46 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)(CC)CC, Annotation [C16H21NO-4H]+, Rule of HR False"
+240.1382	1447454	"Theoretical m/z 240.138284, Mass diff 0 (0.35 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)(CC)CC, Annotation [C16H21NO-3H]+, Rule of HR True"
+241.12224	302456	"Theoretical m/z 241.122855, Mass diff 0 (0 ppm), Formula C16H17O2"
+242.11722	1567674	"Theoretical m/z 242.117563, Mass diff 0 (1.42 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)(C)CC, Annotation [C15H19NO2-3H]+, Rule of HR True"
+243.12044	212490
+244.13319	2081890	"Theoretical m/z 244.133213, Mass diff 0 (0.09 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)(C)CC, Annotation [C15H19NO2-H]+, Rule of HR True"
+245.13683	351862
+250.12264	509348	"Theoretical m/z 250.123189, Mass diff 0 (0 ppm), Formula C17H16NO"
+251.13066	803099	"Theoretical m/z 251.130459, Mass diff 0 (0.8 ppm), SMILES O=C1NC3(C=C1C=2C=C(C=CC=2C)C)(CCCCC3), Annotation [C17H21NO-4H]+, Rule of HR False"
+252.13828	1372876	"Theoretical m/z 252.138284, Mass diff 0 (0.02 ppm), SMILES O=C1NC3(C=C1C=2C=C(C=CC=2C)C)(CCCCC3), Annotation [C17H21NO-3H]+, Rule of HR True"
+253.14143	258104
+254.11742	1437857	"Theoretical m/z 254.117553, Mass diff 0 (0.52 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)(CC)CC, Annotation [C16H21NO2-5H]+, Rule of HR True"
+255.12068	201760
+256.13248	172323	"Theoretical m/z 256.133203, Mass diff 0.001 (2.82 ppm), SMILES O=C1NC(C(O)=C1C=2C=C(C=CC=2C)C)(CC)CC, Annotation [C16H21NO2-3H]+, Rule of HR True"
+257.14099	510344
+266.11697	233410	"Theoretical m/z 266.118104, Mass diff 0.001 (0 ppm), Formula C17H16NO2"
+267.13782	155156	"Theoretical m/z 267.137969, Mass diff 0 (0.56 ppm), SMILES O=CC(=CC1CCC(OC)CC1)C=2C=C(C=CC=2C)C, Annotation [C18H24O2-5H]+, Rule of HR True"
+268.13303	9799741	"Theoretical m/z 268.133208, Mass diff 0 (0.67 ppm), SMILES O=C1NC(C=C1C=2C=C(C=CC=2C)C)CCC(OC)C, Annotation [C17H23NO2-5H]+, Rule of HR True"
+269.14093	2354083
+270.14871	9624531	"Theoretical m/z 270.148864, Mass diff 0 (0.57 ppm), SMILES OC(=CC=1C=C(C=CC=1C)C)C2(N)(CCC(OC)CC2), Annotation [C17H25NO2-5H]+, Rule of HR True"
+271.15201	1715334
+272.1542	115464
+280.16937	367334	"Theoretical m/z 280.170139, Mass diff 0 (0 ppm), Formula C19H22NO"
+282.1489	935353	"Theoretical m/z 282.149404, Mass diff 0 (0 ppm), Formula C18H20NO2"
+283.15677	2884035	"Theoretical m/z 283.156683, Mass diff 0 (0.31 ppm), SMILES O=C1NC3(C=C1C=2C=C(C=CC=2C)C)(CCC(OC)CC3), Annotation [C18H23NO2-2H]+, Rule of HR False"
+284.16501	2802486
+285.16806	543606
+286.14362	10994934	"Theoretical m/z 286.143757, Mass diff 0 (0.48 ppm), SMILES O=COC1=C(C(=O)NC1(CC)CC)C=2C=C(C=CC=2C)C, Annotation [C17H21NO3-H]+, Rule of HR True"
+287.14697	2045058
+288.14969	187939
+296.16434	1072139	"Theoretical m/z 296.165054, Mass diff 0 (0 ppm), Formula C19H22NO2"
+297.17203	319908
+298.18018	3450351	"Theoretical m/z 298.180704, Mass diff 0 (0 ppm), Formula C19H24NO2"
+299.18359	1282544
+300.15936	5360902	"Theoretical m/z 300.159412, Mass diff 0 (0.17 ppm), SMILES O=C1NC3(C(O)=C1C=2C=C(C=CC=2C)C)(CCC(OC)CC3), Annotation [C18H23NO3-H]+, Rule of HR True"
+301.1618	1202136
+312.19553	165816	"Theoretical m/z 312.196354, Mass diff 0 (0 ppm), Formula C20H26NO2"
+314.17471	5071516	"Theoretical m/z 314.175073, Mass diff 0 (1.16 ppm), SMILES O=C(OC(=CC=1C=C(C=CC=1C)C)C2(N)(CCCCC2))OCC, Annotation [C19H27NO3-3H]+, Rule of HR True"
+315.17838	1174670
+327.14618	236512
+328.15353	317644	"Theoretical m/z 328.154346, Mass diff 0.001 (2.49 ppm), SMILES O=COC1=C(C(=O)NC12(CCC(OC)CC2))C=3C=C(C=CC=3C)C, Annotation [C19H23NO4-H]+, Rule of HR True"
+373.18823	5883236	"Theoretical m/z 373.188386, Mass diff 0 (0.42 ppm), SMILES O=C(OC1=C(C(=O)NC12(CCC(OC)CC2))C=3C=C(C=CC=3C)C)OCC, Annotation [C21H27NO5]+, Rule of HR False"
+374.19165	1444224
+375.19476	204477
+
+NAME: 17-alpha-Ethynylestradiol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2792.7
+PRECURSORMZ: 296.17728
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C20H24O2
+INCHIKEY: BFPYWIDHMRZLRN-SLHNCBLASA-N
+INCHI: 
+SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 101
+67.0543	812371	"Theoretical m/z 67.054226, Mass diff 0 (1.11 ppm), SMILES C#CCCC, Annotation [C5H8-H]+, Rule of HR True"
+77.03865	2386695	"Theoretical m/z 77.038578, Mass diff 0 (0.94 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.0465	603246	"Theoretical m/z 78.046403, Mass diff 0 (1.25 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05433	2369773	"Theoretical m/z 79.054228, Mass diff 0 (1.29 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06998	1645057	"Theoretical m/z 81.069878, Mass diff 0 (1.26 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+89.03867	634106	"Theoretical m/z 89.038575, Mass diff 0 (1.06 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+91.05435	4904720	"Theoretical m/z 91.054226, Mass diff 0 (1.37 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05772	525503
+93.07003	1043109	"Theoretical m/z 93.069876, Mass diff 0 (1.66 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+95.08564	941358	"Theoretical m/z 95.085525, Mass diff 0 (1.21 ppm), SMILES CCCC(C)CC, Annotation [C7H16-5H]+, Rule of HR True"
+103.05438	2247082	"Theoretical m/z 103.054229, Mass diff 0 (1.47 ppm), SMILES C#CC1CCCC1(C), Annotation [C8H12-5H]+, Rule of HR True"
+105.07003	2986699	"Theoretical m/z 105.069879, Mass diff 0 (1.44 ppm), SMILES C#CC1CCCC1(C), Annotation [C8H12-3H]+, Rule of HR True"
+107.04928	2410829	"Theoretical m/z 107.049141, Mass diff 0 (1.3 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05712	573963	"Theoretical m/z 108.056967, Mass diff 0 (1.41 ppm), SMILES C#CC1(O)(CCCC1), Annotation [C7H10O-2H]+, Rule of HR False"
+115.05437	7023509	"Theoretical m/z 115.054227, Mass diff 0 (1.25 ppm), SMILES C#CC1CCCC1(CC), Annotation [C9H14-7H]+, Rule of HR True"
+116.06217	2511961	"Theoretical m/z 116.062052, Mass diff 0 (1.02 ppm), SMILES C#CC1CCCC1(C)(C), Annotation [C9H14-6H]+, Rule of HR False"
+117.06999	3493086	"Theoretical m/z 117.069877, Mass diff 0 (0.97 ppm), SMILES C#CC1CCCC1(C)(C), Annotation [C9H14-5H]+, Rule of HR True"
+118.0733	518570
+119.08567	974041	"Theoretical m/z 119.085527, Mass diff 0 (1.2 ppm), SMILES C#CC1CCCC1(C)(C), Annotation [C9H14-3H]+, Rule of HR True"
+120.05711	754953	"Theoretical m/z 120.056965, Mass diff 0 (1.21 ppm), SMILES C#CC1(O)(CCCC1(C)), Annotation [C8H12O-4H]+, Rule of HR False"
+121.06491	1790399	"Theoretical m/z 121.06479, Mass diff 0 (0.99 ppm), SMILES C#CC1(O)(CCCC1(C)), Annotation [C8H12O-3H]+, Rule of HR True"
+124.08841	2228104	"Theoretical m/z 124.088265, Mass diff 0 (1.17 ppm), SMILES C#CC1(O)(CCCC1(C)), Annotation [C8H12O]+, Rule of HR False"
+127.05434	1208802	"Theoretical m/z 127.054229, Mass diff 0 (0.88 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-5H]+, Rule of HR True"
+128.06218	3587378	"Theoretical m/z 128.062054, Mass diff 0 (0.98 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-4H]+, Rule of HR False"
+129.06998	2606229	"Theoretical m/z 129.069879, Mass diff 0 (0.78 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-3H]+, Rule of HR True"
+130.07782	486532
+131.04932	6518714	"Theoretical m/z 131.049148, Mass diff 0 (1.32 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-5H]+, Rule of HR True"
+132.0571	1938124	"Theoretical m/z 132.056963, Mass diff 0 (1.04 ppm), SMILES C#CC1(O)(CCCC1(CC)), Annotation [C9H14O-6H]+, Rule of HR False"
+133.06494	8575894	"Theoretical m/z 133.064788, Mass diff 0 (1.14 ppm), SMILES C#CC1(O)(CCCC1(CC)), Annotation [C9H14O-5H]+, Rule of HR True"
+134.06827	1036285
+136.08842	1011606	"Theoretical m/z 136.088263, Mass diff 0 (1.15 ppm), SMILES C#CC1(O)(CCCC1(C)(C)), Annotation [C9H14O-2H]+, Rule of HR False"
+137.09622	607483	"Theoretical m/z 137.096088, Mass diff 0 (0.96 ppm), SMILES C#CC1(O)(CCCC1(C)(C)), Annotation [C9H14O-H]+, Rule of HR True"
+141.06998	2135182	"Theoretical m/z 141.069869, Mass diff 0 (0.79 ppm), SMILES C=1C=CC2=C(C=1)CCCC2C, Annotation [C11H14-5H]+, Rule of HR True"
+142.0779	542095
+143.08572	711572	"Theoretical m/z 143.085519, Mass diff 0 (1.4 ppm), SMILES C=1C=CC2=C(C=1)CCCC2C, Annotation [C11H14-3H]+, Rule of HR True"
+144.05713	4407134
+145.06491	10512822	"Theoretical m/z 145.064798, Mass diff 0 (0.77 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-3H]+, Rule of HR True"
+146.07269	4192040	"Theoretical m/z 146.072623, Mass diff 0 (0.46 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-2H]+, Rule of HR False"
+147.08052	1727038	"Theoretical m/z 147.080448, Mass diff 0 (0.49 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-H]+, Rule of HR True"
+152.06216	1268335
+153.06992	1288428	"Theoretical m/z 153.069877, Mass diff 0 (0.28 ppm), SMILES C=1C=CC(=C(C=1)C)CCCCC, Annotation [C12H17-8H]+, Rule of HR False"
+155.0605	2697742
+157.0649	8630677	"Theoretical m/z 157.064793, Mass diff 0 (0.68 ppm), SMILES OC=1C=CC(=C(C=1)C)C(C)CC, Annotation [C11H16O-7H]+, Rule of HR True"
+158.07272	4329591
+159.08054	7486106	"Theoretical m/z 159.080438, Mass diff 0 (0.64 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2C, Annotation [C11H14O-3H]+, Rule of HR True"
+160.08832	14984176
+161.0917	2553324
+165.06998	1699558	"Theoretical m/z 165.06988, Mass diff 0 (0.61 ppm), SMILES C=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18-9H]+, Rule of HR True"
+166.07333	500936
+167.0856	728070	"Theoretical m/z 167.08553, Mass diff 0 (0.42 ppm), SMILES C=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18-7H]+, Rule of HR True"
+169.06488	1546703	"Theoretical m/z 169.064796, Mass diff 0 (0.5 ppm), SMILES OC=1C=CC(=C(C=1)CCCCC)C, Annotation [C12H17O-8H]+, Rule of HR False"
+170.07272	1306596
+171.08052	4306012	"Theoretical m/z 171.080446, Mass diff 0 (0.43 ppm), SMILES OC=1C=CC(=C(C=1)CCCCC)C, Annotation [C12H17O-6H]+, Rule of HR False"
+172.08827	4167449
+173.09619	2111384	"Theoretical m/z 173.096094, Mass diff 0 (0.56 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2CC, Annotation [C12H16O-3H]+, Rule of HR True"
+178.07776	535865	"Theoretical m/z 178.077705, Mass diff 0 (0.31 ppm), SMILES C=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18-8H]+, Rule of HR False"
+179.08548	776081	"Theoretical m/z 179.08553, Mass diff 0 (0.28 ppm), SMILES C=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18-7H]+, Rule of HR True"
+181.0649	1447858	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+182.07278	681280	"Theoretical m/z 182.072624, Mass diff 0 (0.86 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18O-8H]+, Rule of HR False"
+183.0805	2302296	"Theoretical m/z 183.080449, Mass diff 0 (0.28 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18O-7H]+, Rule of HR True"
+184.08841	1305660
+185.09619	3621199	"Theoretical m/z 185.096099, Mass diff 0 (0.49 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18O-5H]+, Rule of HR True"
+186.10403	1593680
+194.07277	522593	"Theoretical m/z 194.073165, Mass diff 0 (0 ppm), Formula C14H10O"
+195.08058	1397507	"Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O"
+196.08838	788522
+197.09621	2103396	"Theoretical m/z 197.096099, Mass diff 0 (0.56 ppm), SMILES OC=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18O-5H]+, Rule of HR True"
+198.10405	1340195
+199.11185	2097232	"Theoretical m/z 199.111749, Mass diff 0 (0.51 ppm), SMILES OC=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18O-3H]+, Rule of HR True"
+200.1197	1511539
+207.08064	1217334	"Theoretical m/z 207.08099, Mass diff 0 (0 ppm), Formula C15H11O"
+208.08846	1730656
+209.09631	1494972	"Theoretical m/z 209.09664, Mass diff 0 (0 ppm), Formula C15H13O"
+210.10423	1064882
+211.11195	3304900	"Theoretical m/z 211.111739, Mass diff 0 (1 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCCC3(C), Annotation [C15H20O-5H]+, Rule of HR True"
+212.11989	1112349
+213.12752	48634956	"Theoretical m/z 213.127389, Mass diff 0 (0.61 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCCC3(C), Annotation [C15H20O-3H]+, Rule of HR True"
+214.1308	7828743
+215.13434	792142
+221.09625	1056559	"Theoretical m/z 221.096089, Mass diff 0 (0.73 ppm), SMILES C#CCC(C)CC2CC=1C=CC(O)=CC=1CC2, Annotation [C16H20O-7H]+, Rule of HR True"
+222.10448	504607
+223.11191	575046	"Theoretical m/z 223.111745, Mass diff 0 (0.74 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)C3CCCC3(C), Annotation [C16H22O-7H]+, Rule of HR True"
+224.11987	1037325
+225.12804	854599	"Theoretical m/z 225.127395, Mass diff 0.001 (2.87 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCCC3(CC), Annotation [C16H22O-5H]+, Rule of HR True"
+226.13541	1788593
+228.15106	2435418
+235.11198	1327423	"Theoretical m/z 235.111739, Mass diff 0 (1.02 ppm), SMILES C#CC1CCC(C1)C3CC=2C=CC(O)=CC=2CC3, Annotation [C17H20O-5H]+, Rule of HR True"
+236.12041	696731
+237.12802	606560
+239.1432	1505515	"Theoretical m/z 239.143045, Mass diff 0 (0.65 ppm), SMILES OC=1C=CC2=C(C=1)CCC4C2CCC3CCCC34, Annotation [C17H22O-3H]+, Rule of HR True"
+249.12769	966565	"Theoretical m/z 249.127395, Mass diff 0 (1.19 ppm), SMILES C#CC1CCC(C1(C))C3CC=2C=CC(O)=CC=2CC3, Annotation [C18H22O-5H]+, Rule of HR True"
+250.13553	3811475
+251.13844	715389
+253.12248	1096238	"Theoretical m/z 253.122308, Mass diff 0 (0.68 ppm), SMILES C#CC1(O)(CCC(C1)C3CC=2C=CC(O)=CC=2CC3), Annotation [C17H20O2-3H]+, Rule of HR True"
+263.14322	1165916	"Theoretical m/z 263.14303, Mass diff 0 (0.72 ppm), SMILES C#CC4CCC3C4(CCC2C=1C=CC(O)=CC=1CCC23), Annotation [C19H22O-3H]+, Rule of HR True"
+268.14615	2026303
+270.16174	620687
+278.16684	658494
+281.15381	492552	"Theoretical m/z 281.153614, Mass diff 0 (0.7 ppm), SMILES C#CC3(O)(CCC2C4CCC=1C=C(O)C=CC=1C4(CCC23)), Annotation [C19H22O2-H]+, Rule of HR True"
+296.17728	11064023	"Theoretical m/z 296.177094, Mass diff 0 (0.63 ppm), SMILES C#CC3(O)(CCC2C4CCC=1C=C(O)C=CC=1C4(CCC23(C))), Annotation [C20H24O2]+, Rule of HR False"
+297.1806	2248035
+
+NAME: Bisphenol A
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2195.2
+PRECURSORMZ: 228.1147
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C15H16O2
+INCHIKEY: IISBACLAFKSPIT-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 29
+77.0387	1880098	"Theoretical m/z 77.038578, Mass diff 0 (1.59 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+89.03872	1227746	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05438	9032927	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+107.04931	2419231	"Theoretical m/z 107.049141, Mass diff 0 (1.58 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.0544	2366195	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+119.04932	14996684	"Theoretical m/z 119.049142, Mass diff 0 (1.49 ppm), SMILES OC1=CC=C(C=C1)CC, Annotation [C8H10O-3H]+, Rule of HR True"
+120.05267	1513505
+128.06223	1283906	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+135.08061	1545468	"Theoretical m/z 135.080448, Mass diff 0 (1.2 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+139.05441	1203706	"Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7"
+141.07004	1432280	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+152.06221	2248303
+153.07001	1342392	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+157.06497	1037737	"Theoretical m/z 157.06534, Mass diff 0 (0 ppm), Formula C11H9O"
+165.07008	4076314	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+166.07784	1013549	"Theoretical m/z 166.07825, Mass diff 0 (0 ppm), Formula C13H10"
+167.08569	2453811	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+169.06494	2727470	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+177.06999	1145742	"Theoretical m/z 177.069869, Mass diff 0 (0.68 ppm), SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)C, Annotation [C14H14-5H]+, Rule of HR True"
+181.06497	1087908	"Theoretical m/z 181.064798, Mass diff 0 (0.95 ppm), SMILES OC1=CC=C(C=C1)CC2=CC=CC=C2, Annotation [C13H12O-3H]+, Rule of HR True"
+183.08063	1188955	"Theoretical m/z 183.080448, Mass diff 0 (1 ppm), SMILES OC1=CC=C(C=C1)CC2=CC=CC=C2, Annotation [C13H12O-H]+, Rule of HR True"
+195.08067	4052835	"Theoretical m/z 195.080438, Mass diff 0 (1.19 ppm), SMILES OC1=CC=C(C=C1)C(C2=CC=CC=C2)C, Annotation [C14H14O-3H]+, Rule of HR True"
+197.05992	3255444	"Theoretical m/z 197.059701, Mass diff 0 (1.11 ppm), SMILES OC1=CC=C(C=C1)CC2=CC=C(O)C=C2, Annotation [C13H12O2-3H]+, Rule of HR True"
+198.06775	3135455	"Theoretical m/z 198.067526, Mass diff 0 (1.13 ppm), SMILES OC1=CC=C(C=C1)CC2=CC=C(O)C=C2, Annotation [C13H12O2-2H]+, Rule of HR False"
+213.0912	90417720	"Theoretical m/z 213.091007, Mass diff 0 (0.91 ppm), SMILES OC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)C, Annotation [C14H14O2-H]+, Rule of HR True"
+214.09441	14115771
+215.09814	939247
+228.1147	7438710	"Theoretical m/z 228.114487, Mass diff 0 (0.93 ppm), SMILES OC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)(C)C, Annotation [C15H16O2]+, Rule of HR False"
+229.11807	1393385
+
+NAME: 4-tert-Octylphenol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 1601.6
+PRECURSORMZ: 206.1664
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C14H22O
+INCHIKEY: ISAVYTVYFVQUDY-UHFFFAOYSA-N
+INCHI: 
+SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 13
+77.03854	12261367	"Theoretical m/z 77.038578, Mass diff 0 (0.49 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05421	5624870	"Theoretical m/z 79.054228, Mass diff 0 (0.22 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+91.05421	21404478	"Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7"
+95.04912	16794878	"Theoretical m/z 95.049141, Mass diff 0 (-0.22 ppm), SMILES C\C(=C\C=C)C#[O+], Annotation [C6H7O]+, Rule of HR True"
+107.0491	109753656	"Theoretical m/z 107.049141, Mass diff 0 (-0.38 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+108.05241	6539952
+115.05418	3842612	"Theoretical m/z 115.054229, Mass diff 0 (0.42 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-5H]+, Rule of HR True"
+119.04912	11775989	"Theoretical m/z 119.049142, Mass diff 0 (0.19 ppm), SMILES OC1=CC=C(C=C1)CC, Annotation [C8H10O-3H]+, Rule of HR True"
+121.06477	3301394	"Theoretical m/z 121.064792, Mass diff 0 (0.18 ppm), SMILES OC1=CC=C(C=C1)CC, Annotation [C8H10O-H]+, Rule of HR True"
+133.06488	6097127	"Theoretical m/z 133.064798, Mass diff 0 (0.62 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-3H]+, Rule of HR True"
+134.07269	10438494	"Theoretical m/z 134.072623, Mass diff 0 (0.5 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-2H]+, Rule of HR False"
+135.08035	306380768	"Theoretical m/z 135.080448, Mass diff 0 (0.72 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-H]+, Rule of HR True"
+136.08359	24557076
+
+NAME: Estrone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2701.2
+PRECURSORMZ: 270.1616
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H22O2
+INCHIKEY: DNXHEGUUPJUMQT-CBZIJGRNSA-N
+INCHI: 
+SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 88
+67.05427	683975	"Theoretical m/z 67.054229, Mass diff 0 (0.61 ppm), SMILES CCCCC, Annotation [C5H12-5H]+, Rule of HR True"
+77.03861	2302298	"Theoretical m/z 77.038578, Mass diff 0 (0.42 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+78.04645	550167	"Theoretical m/z 78.046403, Mass diff 0 (0.61 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6]+, Rule of HR False"
+79.05428	2240844	"Theoretical m/z 79.054228, Mass diff 0 (0.66 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6+H]+, Rule of HR True"
+81.06993	691513	"Theoretical m/z 81.069878, Mass diff 0 (0.65 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+89.03863	801725	"Theoretical m/z 89.038575, Mass diff 0 (0.61 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-3H]+, Rule of HR True"
+91.05431	4140004	"Theoretical m/z 91.054226, Mass diff 0 (0.93 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+92.05764	476997
+93.06998	700835	"Theoretical m/z 93.069876, Mass diff 0 (1.12 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8+H]+, Rule of HR True"
+95.08559	611946	"Theoretical m/z 95.085525, Mass diff 0 (0.69 ppm), SMILES CCCC(C)CC, Annotation [C7H16-5H]+, Rule of HR True"
+97.06488	1130648	"Theoretical m/z 97.064789, Mass diff 0 (0.94 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+102.04644	463408	"Theoretical m/z 102.046398, Mass diff 0 (0.41 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-4H]+, Rule of HR False"
+103.05429	2125023	"Theoretical m/z 103.054223, Mass diff 0 (0.65 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-3H]+, Rule of HR True"
+105.06998	2344289	"Theoretical m/z 105.069873, Mass diff 0 (1.01 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+107.04919	2266236	"Theoretical m/z 107.049141, Mass diff 0 (0.46 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05428	7487014	"Theoretical m/z 115.054229, Mass diff 0 (0.44 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-5H]+, Rule of HR True"
+116.0621	2775394	"Theoretical m/z 116.062054, Mass diff 0 (0.4 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-4H]+, Rule of HR False"
+117.06992	3495941	"Theoretical m/z 117.069879, Mass diff 0 (0.35 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True"
+119.08557	768805	"Theoretical m/z 119.08553, Mass diff 0 (0.34 ppm), SMILES CC1CCCC(C)C1(C), Annotation [C9H18-7H]+, Rule of HR True"
+120.05703	3422720	"Theoretical m/z 120.056967, Mass diff 0 (0.52 ppm), SMILES OC=1C=CC=C(C=1)CC, Annotation [C8H10O-2H]+, Rule of HR False"
+121.06481	1207905	"Theoretical m/z 121.064792, Mass diff 0 (0.15 ppm), SMILES OC=1C=CC=C(C=1)CC, Annotation [C8H10O-H]+, Rule of HR True"
+123.08048	753063	"Theoretical m/z 123.080442, Mass diff 0 (0.31 ppm), SMILES OC=1C=CC=C(C=1)CC, Annotation [C8H10O+H]+, Rule of HR True"
+127.05425	1264030	"Theoretical m/z 127.054229, Mass diff 0 (0.17 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-5H]+, Rule of HR True"
+128.0621	4185512	"Theoretical m/z 128.062054, Mass diff 0 (0.36 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-4H]+, Rule of HR False"
+129.06992	2947506	"Theoretical m/z 129.069879, Mass diff 0 (0.32 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-3H]+, Rule of HR True"
+130.07774	629410
+131.04922	6492254	"Theoretical m/z 131.049148, Mass diff 0 (0.55 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-5H]+, Rule of HR True"
+132.05702	1542788	"Theoretical m/z 132.056963, Mass diff 0 (0.43 ppm), SMILES O=C1CCC2CCCCC12, Annotation [C9H14O-6H]+, Rule of HR False"
+133.06483	4761770	"Theoretical m/z 133.064788, Mass diff 0 (0.32 ppm), SMILES O=C1CCC2CCCCC12, Annotation [C9H14O-5H]+, Rule of HR True"
+134.06819	574526
+139.05426	529736	"Theoretical m/z 139.054224, Mass diff 0 (0.26 ppm), SMILES C=1C=CC(=C(C=1)C)C(C)CC, Annotation [C11H16-9H]+, Rule of HR True"
+141.06992	2249328	"Theoretical m/z 141.069869, Mass diff 0 (0.36 ppm), SMILES C=1C=CC2=C(C=1)CCCC2C, Annotation [C11H14-5H]+, Rule of HR True"
+142.07773	653306
+143.08557	821121	"Theoretical m/z 143.085519, Mass diff 0 (0.36 ppm), SMILES C=1C=CC2=C(C=1)CCCC2C, Annotation [C11H14-3H]+, Rule of HR True"
+144.05704	5153879
+145.06482	9896741	"Theoretical m/z 145.064798, Mass diff 0 (0.15 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-3H]+, Rule of HR True"
+146.07262	11536129	"Theoretical m/z 146.072623, Mass diff 0 (0.02 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-2H]+, Rule of HR False"
+147.08041	2568538	"Theoretical m/z 147.080448, Mass diff 0 (0.26 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-H]+, Rule of HR True"
+152.06206	1439690
+153.06987	1510400	"Theoretical m/z 153.069877, Mass diff 0 (0.05 ppm), SMILES C=1C=CC(=C(C=1)C)CCCCC, Annotation [C12H17-8H]+, Rule of HR False"
+154.07759	464133
+155.06041	2763812
+157.06482	11343033	"Theoretical m/z 157.064793, Mass diff 0 (0.17 ppm), SMILES OC=1C=CC(=C(C=1)C)C(C)CC, Annotation [C11H16O-7H]+, Rule of HR True"
+158.07263	6637496
+159.08041	6000005	"Theoretical m/z 159.080438, Mass diff 0 (0.18 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2C, Annotation [C11H14O-3H]+, Rule of HR True"
+160.08821	4947925
+161.09163	738848
+165.06987	1859916	"Theoretical m/z 165.06988, Mass diff 0 (0.06 ppm), SMILES C=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18-9H]+, Rule of HR True"
+166.07777	506829	"Theoretical m/z 166.077708, Mass diff 0 (0.37 ppm), SMILES C=1C=CC(=C(C=1)CCCC)CCC, Annotation [C13H19-9H]+, Rule of HR True"
+167.08551	948036	"Theoretical m/z 167.08553, Mass diff 0 (0.12 ppm), SMILES C=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18-7H]+, Rule of HR True"
+169.06477	1696229	"Theoretical m/z 169.064796, Mass diff 0 (0.15 ppm), SMILES OC=1C=CC(=C(C=1)CCCCC)C, Annotation [C12H17O-8H]+, Rule of HR False"
+170.07263	5420782
+171.08037	4911812	"Theoretical m/z 171.080446, Mass diff 0 (0.45 ppm), SMILES OC=1C=CC(=C(C=1)CCCCC)C, Annotation [C12H17O-6H]+, Rule of HR False"
+172.08821	11196996
+173.09161	2669757
+174.10396	632813
+178.0777	460839	"Theoretical m/z 178.077705, Mass diff 0 (0.03 ppm), SMILES C=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18-8H]+, Rule of HR False"
+179.08537	615489	"Theoretical m/z 179.08553, Mass diff 0 (0.89 ppm), SMILES C=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18-7H]+, Rule of HR True"
+181.06476	1392090	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+182.07272	546996	"Theoretical m/z 182.072624, Mass diff 0 (0.53 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18O-8H]+, Rule of HR False"
+183.08044	1812460	"Theoretical m/z 183.080449, Mass diff 0 (0.05 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18O-7H]+, Rule of HR True"
+184.08833	1245943
+185.09608	19620568	"Theoretical m/z 185.096099, Mass diff 0 (0.1 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18O-5H]+, Rule of HR True"
+186.10391	5483656
+187.10727	649983
+195.08043	1109540	"Theoretical m/z 195.080449, Mass diff 0 (0.1 ppm), SMILES O=CC(C)CC2CC=1C=CC=CC=1CC2, Annotation [C14H18O-7H]+, Rule of HR True"
+196.08838	459505
+197.0961	1364196	"Theoretical m/z 197.096099, Mass diff 0 (0.01 ppm), SMILES OC=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18O-5H]+, Rule of HR True"
+198.10394	1063571
+199.11174	3626621	"Theoretical m/z 199.111749, Mass diff 0 (0.05 ppm), SMILES OC=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18O-3H]+, Rule of HR True"
+200.11502	900291
+209.09615	989184	"Theoretical m/z 209.096099, Mass diff 0 (0.24 ppm), SMILES O=C1CCC(C1)C3CC=2C=CC=CC=2CC3, Annotation [C15H18O-5H]+, Rule of HR True"
+210.10406	660558
+211.11182	3365535	"Theoretical m/z 211.111739, Mass diff 0 (0.38 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCCC3(C), Annotation [C15H20O-5H]+, Rule of HR True"
+212.11508	892147
+213.12743	7861306	"Theoretical m/z 213.127389, Mass diff 0 (0.19 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCCC3(C), Annotation [C15H20O-3H]+, Rule of HR True"
+214.13536	2482040
+223.1118	630997	"Theoretical m/z 223.111739, Mass diff 0 (0.27 ppm), SMILES O=C1CCC(C1C)C3CC=2C=CC=CC=2CC3, Annotation [C16H20O-5H]+, Rule of HR True"
+226.13527	3092314
+227.10666	1245392	"Theoretical m/z 227.106653, Mass diff 0 (0.03 ppm), SMILES O=C1CCC(C1)C3CC=2C=CC(O)=CC=2CC3, Annotation [C15H18O2-3H]+, Rule of HR True"
+237.12744	2199444	"Theoretical m/z 237.127389, Mass diff 0 (0.21 ppm), SMILES O=C1CCC4C1CCC3C=2C=CC=CC=2CCC34, Annotation [C17H20O-3H]+, Rule of HR True"
+241.12241	532615	"Theoretical m/z 241.122308, Mass diff 0 (0.42 ppm), SMILES O=CC3CCC2C=1C=CC(O)=CC=1CCC2C3(C), Annotation [C16H20O2-3H]+, Rule of HR True"
+242.13022	2025161
+255.13792	694335	"Theoretical m/z 255.137958, Mass diff 0 (0.15 ppm), SMILES O=C1CCC4C1CCC3C=2C=CC(O)=CC=2CCC34, Annotation [C17H20O2-H]+, Rule of HR True"
+269.15387	549016	"Theoretical m/z 269.153619, Mass diff 0 (0.93 ppm), SMILES O=C2C(C)C(CCCC=1C=C(O)C=CC=1CCC)CC2, Annotation [C18H24O2-3H]+, Rule of HR True"
+270.16156	45830856	"Theoretical m/z 270.161439, Mass diff 0 (0.45 ppm), SMILES O=C2CCC3C4CCC=1C=C(O)C=CC=1C4(CCC23(C)), Annotation [C18H22O2]+, Rule of HR False"
+271.16489	8883971
+272.16809	849365
+
+NAME: 17-beta-Estradiol
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2723
+PRECURSORMZ: 272.1771
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C18H24O2
+INCHIKEY: VOXZDWNPVJITMN-ZBRFXRBCSA-N
+INCHI: 
+SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 67
+71.08553	28874	"Theoretical m/z 71.085529, Mass diff 0 (0.01 ppm), SMILES CCCCC, Annotation [C5H12-H]+, Rule of HR True"
+77.03857	55819	"Theoretical m/z 77.038578, Mass diff 0 (0.1 ppm), SMILES C1=CC=CC=C1, Annotation [C6H6-H]+, Rule of HR True"
+79.05424	63883	"Theoretical m/z 79.054229, Mass diff 0 (0.14 ppm), SMILES CC1CCCC1, Annotation [C6H12-5H]+, Rule of HR True"
+91.05425	126310	"Theoretical m/z 91.054226, Mass diff 0 (0.27 ppm), SMILES C1=CC=C(C=C1)C, Annotation [C7H8-H]+, Rule of HR True"
+105.0699	87737	"Theoretical m/z 105.069873, Mass diff 0 (0.25 ppm), SMILES C1=CC=C(C=C1)CC, Annotation [C8H10-H]+, Rule of HR True"
+107.04913	75790	"Theoretical m/z 107.049141, Mass diff 0 (-0.1 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+115.05422	197269	"Theoretical m/z 115.054229, Mass diff 0 (0.08 ppm), SMILES C1=CC=C(C=C1)C(C)C, Annotation [C9H12-5H]+, Rule of HR True"
+116.06205	84489	"Theoretical m/z 116.06205, Mass diff 0 (0 ppm), SMILES C1CCC2CCCC2(C1), Annotation [C9H16-8H]+, Rule of HR False"
+117.06985	105415	"Theoretical m/z 117.069875, Mass diff 0 (0.21 ppm), SMILES C1CCC2CCCC2(C1), Annotation [C9H16-7H]+, Rule of HR True"
+119.08553	27591	"Theoretical m/z 119.08553, Mass diff 0 (0 ppm), SMILES CC1CCCC(C)C1(C), Annotation [C9H18-7H]+, Rule of HR True"
+120.05697	43216	"Theoretical m/z 120.056967, Mass diff 0 (0.02 ppm), SMILES OC=1C=CC=C(C=1)CC, Annotation [C8H10O-2H]+, Rule of HR False"
+127.05421	23989	"Theoretical m/z 127.054229, Mass diff 0 (0.15 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-5H]+, Rule of HR True"
+128.06201	102039	"Theoretical m/z 128.062054, Mass diff 0 (0.34 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-4H]+, Rule of HR False"
+129.06984	73989	"Theoretical m/z 129.069879, Mass diff 0 (0.3 ppm), SMILES C=1C=CC2=C(C=1)CCCC2, Annotation [C10H12-3H]+, Rule of HR True"
+130.07761	14442
+131.04916	193737	"Theoretical m/z 131.049148, Mass diff 0 (0.09 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-5H]+, Rule of HR True"
+132.05693	61577	"Theoretical m/z 132.056973, Mass diff 0 (0.32 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-4H]+, Rule of HR False"
+133.06477	208280	"Theoretical m/z 133.064798, Mass diff 0 (0.21 ppm), SMILES OC1=CC=C(C=C1)C(C)C, Annotation [C9H12O-3H]+, Rule of HR True"
+141.06984	65519	"Theoretical m/z 141.069869, Mass diff 0 (0.21 ppm), SMILES C=1C=CC2=C(C=1)CCCC2C, Annotation [C11H14-5H]+, Rule of HR True"
+142.07771	16097
+144.05695	162468
+145.06474	371110	"Theoretical m/z 145.064798, Mass diff 0 (0.4 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-3H]+, Rule of HR True"
+146.07256	306835	"Theoretical m/z 146.072623, Mass diff 0 (0.43 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-2H]+, Rule of HR False"
+147.08032	74653	"Theoretical m/z 147.080448, Mass diff 0 (0.87 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2, Annotation [C10H12O-H]+, Rule of HR True"
+152.06197	36550
+153.06978	48850	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+155.06027	95127
+157.06473	293275	"Theoretical m/z 157.064793, Mass diff 0 (0.4 ppm), SMILES OC=1C=CC(=C(C=1)C)C(C)CC, Annotation [C11H16O-7H]+, Rule of HR True"
+158.07253	188640
+159.08034	262162	"Theoretical m/z 159.080438, Mass diff 0 (0.62 ppm), SMILES OC=1C=CC2=C(C=1)CCCC2C, Annotation [C11H14O-3H]+, Rule of HR True"
+160.08814	78488
+166.07318	14745
+167.08542	21991	"Theoretical m/z 167.08553, Mass diff 0 (0.66 ppm), SMILES C=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18-7H]+, Rule of HR True"
+169.06473	48623	"Theoretical m/z 169.06534, Mass diff 0 (0 ppm), Formula C12H9O"
+170.07251	65606
+171.08031	153728	"Theoretical m/z 171.08099, Mass diff 0 (0 ppm), Formula C12H11O"
+172.08812	92363
+173.09148	88919
+175.07524	46658	"Theoretical m/z 175.075905, Mass diff 0 (0 ppm), Formula C11H11O2"
+181.06467	33803	"Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O"
+183.08032	68826	"Theoretical m/z 183.080449, Mass diff 0 (0.7 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CCC, Annotation [C13H18O-7H]+, Rule of HR True"
+184.08812	43161
+186.10374	229197
+187.10709	51054
+188.08302	123730
+189.08632	34245
+195.0804	14680	"Theoretical m/z 195.080439, Mass diff 0 (0.2 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CC(C)C, Annotation [C14H20O-9H]+, Rule of HR True"
+197.09596	67388	"Theoretical m/z 197.096099, Mass diff 0 (0.7 ppm), SMILES OC=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18O-5H]+, Rule of HR True"
+199.1116	60669	"Theoretical m/z 199.111749, Mass diff 0 (0.75 ppm), SMILES OC=1C=CC2=C(C=1)CCC3CCCCC23, Annotation [C14H18O-3H]+, Rule of HR True"
+201.09087	26028	"Theoretical m/z 201.091555, Mass diff 0 (0 ppm), Formula C13H13O2"
+209.0115	18221
+211.11166	81835	"Theoretical m/z 211.111739, Mass diff 0 (0.38 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCCC3(C), Annotation [C15H20O-5H]+, Rule of HR True"
+212.11998	34647
+213.12729	620781	"Theoretical m/z 213.127389, Mass diff 0 (0.47 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCCC3(C), Annotation [C15H20O-3H]+, Rule of HR True"
+214.13045	97876
+215.10651	45912	"Theoretical m/z 215.106658, Mass diff 0 (0.69 ppm), SMILES OC=1C=CC2=C(C=1)CCC(C2)CC(C)CO, Annotation [C14H20O2-5H]+, Rule of HR True"
+225.12732	19510	"Theoretical m/z 225.127395, Mass diff 0 (0.33 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCCC3(CC), Annotation [C16H22O-5H]+, Rule of HR True"
+226.13534	68204
+228.15085	19345
+239.14293	37294	"Theoretical m/z 239.143045, Mass diff 0 (0.48 ppm), SMILES OC=1C=CC2=C(C=1)CCC4C2CCC3CCCC34, Annotation [C17H22O-3H]+, Rule of HR True"
+244.14577	51387
+253.15872	48593	"Theoretical m/z 253.15924, Mass diff 0 (0 ppm), Formula C18H21O"
+254.16688	65945
+270.16147	51935
+272.17706	1407329	"Theoretical m/z 272.177094, Mass diff 0 (0.13 ppm), SMILES OC=1C=CC2=C(C=1)CCC3C2CCC4(C)(C(O)CCC34), Annotation [C18H24O2]+, Rule of HR False"
+273.18039	240543
+274.18369	24790
+
+NAME: Progesterone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2892.7
+PRECURSORMZ: 314.22427
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C21H30O2
+INCHIKEY: RJKFOVLPORLFTN-LEKSSAKUSA-N
+INCHI: 
+SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 168
+67.0543	4706838	"Theoretical m/z 67.054229, Mass diff 0 (1.06 ppm), SMILES CCCCC, Annotation [C5H12-5H]+, Rule of HR True"
+69.03355	1920143	"Theoretical m/z 69.033493, Mass diff 0 (0.83 ppm), SMILES CC(=C)C#[O+], Annotation [C4H5O]+, Rule of HR True"
+71.04922	870797	"Theoretical m/z 71.049144, Mass diff 0 (1.06 ppm), SMILES O=C(C)CC, Annotation [C4H8O-H]+, Rule of HR True"
+77.03865	9082381	"Theoretical m/z 77.038579, Mass diff 0 (0.92 ppm), SMILES C=C(C)C(C)C, Annotation [C6H12-7H]+, Rule of HR True"
+78.0465	2276272	"Theoretical m/z 78.046404, Mass diff 0 (1.23 ppm), SMILES CC1CCCC1, Annotation [C6H12-6H]+, Rule of HR False"
+79.05431	17480260	"Theoretical m/z 79.054229, Mass diff 0 (1.03 ppm), SMILES CC1CCCC1, Annotation [C6H12-5H]+, Rule of HR True"
+80.05766	1872998
+81.06998	6834459	"Theoretical m/z 81.069878, Mass diff 0 (1.26 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07328	673585
+83.08559	1227651	"Theoretical m/z 83.085529, Mass diff 0 (0.73 ppm), SMILES CC1CCCC1, Annotation [C6H12-H]+, Rule of HR True"
+84.05705	967224	"Theoretical m/z 84.056969, Mass diff 0 (0.97 ppm), SMILES [H][O+]\C=C(/C)C=C, Annotation [C5H8O-H]+, Rule of HR True"
+85.06488	2154674	"Theoretical m/z 85.064792, Mass diff 0 (1.03 ppm), SMILES O=C(C)CCC, Annotation [C5H10O-H]+, Rule of HR True"
+89.03869	426212	"Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5"
+91.05434	30172472	"Theoretical m/z 91.054227, Mass diff 0 (1.24 ppm), SMILES C=C(CC)C(C)C, Annotation [C7H14-7H]+, Rule of HR True"
+92.05768	3644166
+93.07001	12394172	"Theoretical m/z 93.069877, Mass diff 0 (1.43 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-5H]+, Rule of HR True"
+94.07784	2836142	"Theoretical m/z 94.077702, Mass diff 0 (1.47 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-4H]+, Rule of HR False"
+95.08564	9735490	"Theoretical m/z 95.085527, Mass diff 0 (1.19 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-3H]+, Rule of HR True"
+96.05705	4317624	"Theoretical m/z 96.056969, Mass diff 0 (0.84 ppm), SMILES O=C1C=CCCC1, Annotation [C6H8O]+, Rule of HR False"
+97.06493	2405049	"Theoretical m/z 97.064789, Mass diff 0 (1.45 ppm), SMILES O=C1CC[CH+]CC1, Annotation [C6H9O]+, Rule of HR True"
+99.0806	330719	"Theoretical m/z 99.080444, Mass diff 0 (1.57 ppm), SMILES [OH+]=C1CCCCC1, Annotation [C6H11O]+, Rule of HR True"
+103.05436	2280108	"Theoretical m/z 103.054227, Mass diff 0 (1.29 ppm), SMILES C=C1CCCCC1C, Annotation [C8H14-7H]+, Rule of HR True"
+104.06211	972282	"Theoretical m/z 104.06205, Mass diff 0 (0.58 ppm), SMILES C=C(CC)C(C)CC, Annotation [C8H16-8H]+, Rule of HR False"
+105.07001	17867894	"Theoretical m/z 105.069875, Mass diff 0 (1.29 ppm), SMILES C=C(CC)C(C)CC, Annotation [C8H16-7H]+, Rule of HR True"
+106.07337	2970521
+107.08565	9712474	"Theoretical m/z 107.085525, Mass diff 0 (1.17 ppm), SMILES CCC1(C)(CCCC1), Annotation [C8H16-5H]+, Rule of HR True"
+108.09342	2278074	"Theoretical m/z 108.09335, Mass diff 0 (0.65 ppm), SMILES CCC1(C)(CCCC1), Annotation [C8H16-4H]+, Rule of HR False"
+109.06493	13632199	"Theoretical m/z 109.064792, Mass diff 0 (1.26 ppm), SMILES O=C1C=CC(C)CC1, Annotation [C7H10O-H]+, Rule of HR True"
+110.07274	1689873	"Theoretical m/z 110.072617, Mass diff 0 (1.11 ppm), SMILES O=C1C=CC(C)CC1, Annotation [C7H10O]+, Rule of HR False"
+111.08051	1319528	"Theoretical m/z 111.080442, Mass diff 0 (0.61 ppm), SMILES O=C1C=CC(C)CC1, Annotation [C7H10O+H]+, Rule of HR True"
+115.05434	5655394	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06215	1686210	"Theoretical m/z 116.06205, Mass diff 0 (0.87 ppm), SMILES C=C1CCCCC1(C)C, Annotation [C9H16-8H]+, Rule of HR False"
+117.07	9334418	"Theoretical m/z 117.069875, Mass diff 0 (1.07 ppm), SMILES C=C1CCCCC1(C)C, Annotation [C9H16-7H]+, Rule of HR True"
+118.07778	1789934
+119.08566	10475654	"Theoretical m/z 119.08553, Mass diff 0 (1.09 ppm), SMILES CCC1CCCCC1(C), Annotation [C9H18-7H]+, Rule of HR True"
+120.09345	3580969
+121.10129	8350776	"Theoretical m/z 121.10118, Mass diff 0 (0.91 ppm), SMILES CCC1CCCCC1(C), Annotation [C9H18-5H]+, Rule of HR True"
+122.07272	4354648	"Theoretical m/z 122.072615, Mass diff 0 (0.86 ppm), SMILES O=C1C=C(C)C(C)CC1, Annotation [C8H12O-2H]+, Rule of HR False"
+122.10906	1032203
+123.08056	5443409	"Theoretical m/z 123.08044, Mass diff 0 (0.97 ppm), SMILES O=C1C=C(C)C(C)CC1, Annotation [C8H12O-H]+, Rule of HR True"
+124.08839	30894080	"Theoretical m/z 124.088265, Mass diff 0 (1.01 ppm), SMILES O=C1C=C(C)C(C)CC1, Annotation [C8H12O]+, Rule of HR False"
+125.09177	4542248
+128.06215	4104763	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06999	6252674	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.0779	1872756
+131.08568	12466266	"Theoretical m/z 131.08553, Mass diff 0 (1.14 ppm), SMILES C=C1CCCC(C)C1(C)C, Annotation [C10H18-7H]+, Rule of HR True"
+132.09349	3601278	"Theoretical m/z 132.093355, Mass diff 0 (1.02 ppm), SMILES CC12(CCCCC2(CCC1)), Annotation [C10H18-6H]+, Rule of HR False"
+133.10132	11588746	"Theoretical m/z 133.10118, Mass diff 0 (1.05 ppm), SMILES CC12(CCCCC2(CCC1)), Annotation [C10H18-5H]+, Rule of HR True"
+134.1091	5955518	"Theoretical m/z 134.109005, Mass diff 0 (0.71 ppm), SMILES CC12(CCCCC2(CCC1)), Annotation [C10H18-4H]+, Rule of HR False"
+135.11696	6720575	"Theoretical m/z 135.116821, Mass diff 0 (1.03 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+136.08841	3704024	"Theoretical m/z 136.088271, Mass diff 0 (1.02 ppm), SMILES O=C(C)C(CC)CCCC, Annotation [C9H17O-5H]+, Rule of HR True"
+137.09621	3830869	"Theoretical m/z 137.096094, Mass diff 0 (0.85 ppm), SMILES O=C(C)C1CCCC1(C)(C), Annotation [C9H16O-3H]+, Rule of HR True"
+138.104	986821
+141.06995	2812046	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07781	1842119
+143.08563	6137528	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.09344	2623429	"Theoretical m/z 144.093345, Mass diff 0 (0.66 ppm), SMILES C=C1CCCC(CC)C1(C)C, Annotation [C11H20-8H]+, Rule of HR False"
+145.10129	10397736	"Theoretical m/z 145.10117, Mass diff 0 (0.82 ppm), SMILES C=C1CCCC(CC)C1(C)C, Annotation [C11H20-7H]+, Rule of HR True"
+146.10906	3220469	"Theoretical m/z 146.108995, Mass diff 0 (0.44 ppm), SMILES CC1CCCC2(C)(CCCC12), Annotation [C11H20-6H]+, Rule of HR False"
+147.11691	14317601	"Theoretical m/z 147.11682, Mass diff 0 (0.61 ppm), SMILES CC1CCCC2(C)(CCCC12), Annotation [C11H20-5H]+, Rule of HR True"
+148.12021	3712501
+149.13255	5008493	"Theoretical m/z 149.13247, Mass diff 0 (0.53 ppm), SMILES CC1CCCC2(C)(CCCC12), Annotation [C11H20-3H]+, Rule of HR True"
+150.10403	888246
+152.06197	512629
+153.06999	863573	"Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9"
+154.07765	543832
+155.08556	4877182	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.09338	1462931
+157.10126	4909689	"Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13"
+158.10907	1936286	"Theoretical m/z 158.109001, Mass diff 0 (0.44 ppm), SMILES C=C1CCCC(CC)C1(C)CC, Annotation [C12H22-8H]+, Rule of HR False"
+159.11691	8483583	"Theoretical m/z 159.116826, Mass diff 0 (0.53 ppm), SMILES C=C1CCCC(CC)C1(C)CC, Annotation [C12H22-7H]+, Rule of HR True"
+160.12025	2342230
+161.09619	3247856	"Theoretical m/z 161.096094, Mass diff 0 (0.6 ppm), SMILES O=C2C=C1CCCCC1(C)CC2, Annotation [C11H16O-3H]+, Rule of HR True"
+162.10397	1427393
+163.11175	2354286	"Theoretical m/z 163.111744, Mass diff 0 (0.04 ppm), SMILES O=C2C=C1CCCCC1(C)CC2, Annotation [C11H16O-H]+, Rule of HR True"
+165.06993	643148	"Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9"
+167.08556	776990	"Theoretical m/z 167.086075, Mass diff 0 (0 ppm), Formula C13H11"
+168.09316	468822
+169.10124	3181799	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+170.10907	1264079
+171.1169	5111482	"Theoretical m/z 171.116826, Mass diff 0 (0.43 ppm), SMILES C=C1CCC2CC(C)CCC2(C1C), Annotation [C13H22-7H]+, Rule of HR True"
+172.12471	4345068
+173.13257	11346660	"Theoretical m/z 173.132476, Mass diff 0 (0.54 ppm), SMILES C=C1CCC2CC(C)CCC2(C1C), Annotation [C13H22-5H]+, Rule of HR True"
+174.10396	3766609
+175.11174	2557527	"Theoretical m/z 175.111749, Mass diff 0 (0.05 ppm), SMILES O=C2C=C1CCCC(C)C1(C)CC2, Annotation [C12H18O-3H]+, Rule of HR True"
+176.11954	1153921	"Theoretical m/z 176.119572, Mass diff 0 (0.18 ppm), SMILES O=C(C)C(CCCCCC)C(C)C, Annotation [C12H23O-7H]+, Rule of HR True"
+177.12738	1241740	"Theoretical m/z 177.127389, Mass diff 0 (0.05 ppm), SMILES O=C(C)C1CCC2CCCCC12(C), Annotation [C12H20O-3H]+, Rule of HR True"
+178.1353	483037
+181.10121	812935	"Theoretical m/z 181.101725, Mass diff 0 (0 ppm), Formula C14H13"
+182.10899	453155
+183.11693	3345987	"Theoretical m/z 183.117375, Mass diff 0 (0 ppm), Formula C14H15"
+184.12474	1531015
+185.13254	5685228	"Theoretical m/z 185.132481, Mass diff 0 (0.32 ppm), SMILES C=C2CCC1CC(C)CCC1C2(C)C, Annotation [C14H24-7H]+, Rule of HR True"
+186.14041	2056560
+187.14819	9190062	"Theoretical m/z 187.148131, Mass diff 0 (0.31 ppm), SMILES C=C2CCC1CC(C)CCC1C2(C)C, Annotation [C14H24-5H]+, Rule of HR True"
+188.15154	2569452
+189.12743	1523168	"Theoretical m/z 189.127389, Mass diff 0 (0.22 ppm), SMILES O=C2C=C1CCCC(CC)C1(C)CC2, Annotation [C13H20O-3H]+, Rule of HR True"
+190.13528	5287614
+191.14308	21571112	"Theoretical m/z 191.143045, Mass diff 0 (0.18 ppm), SMILES O=C(C)C1CCC2C(C)CCCC12(C), Annotation [C13H22O-3H]+, Rule of HR True"
+192.14642	2898046
+193.10144	413053	"Theoretical m/z 193.101725, Mass diff 0 (0 ppm), Formula C15H13"
+195.11685	659974	"Theoretical m/z 195.117375, Mass diff 0 (0 ppm), Formula C15H15"
+196.12494	464037
+197.13254	3113478	"Theoretical m/z 197.133026, Mass diff 0 (0 ppm), Formula C15H17"
+198.14038	1261766
+199.14821	2891552	"Theoretical m/z 199.148122, Mass diff 0 (0.44 ppm), SMILES C=C1CCC2C(CC)C(C)CCC2(C1C), Annotation [C15H26-7H]+, Rule of HR True"
+200.15601	1487700
+201.1639	4265708	"Theoretical m/z 201.163772, Mass diff 0 (0.64 ppm), SMILES C=C1CCC2C(CC)C(C)CCC2(C1C), Annotation [C15H26-5H]+, Rule of HR True"
+202.17169	1631623
+203.14302	457063	"Theoretical m/z 203.143045, Mass diff 0 (0.12 ppm), SMILES O=CC=C1CCC2CC(C)CCC2(C1C), Annotation [C14H22O-3H]+, Rule of HR True"
+207.117	585761	"Theoretical m/z 207.117375, Mass diff 0 (0 ppm), Formula C16H15"
+209.13261	892196	"Theoretical m/z 209.133026, Mass diff 0 (0 ppm), Formula C16H17"
+210.14044	527375
+211.14825	11012962	"Theoretical m/z 211.148132, Mass diff 0 (0.56 ppm), SMILES CC1=C(C)C2=C([CH+]CCC=C(C)\C=C/2)C=C1, Annotation [C16H19]+, Rule of HR True"
+212.15155	2466447
+213.1639	3682189	"Theoretical m/z 213.163773, Mass diff 0 (0.6 ppm), SMILES CC1=C(C)C2=C([CH+]CCC=C(C)CC2)C=C1, Annotation [C16H21]+, Rule of HR True"
+214.17177	1783062
+215.14323	2625698	"Theoretical m/z 215.143045, Mass diff 0 (0.86 ppm), SMILES O=C2C=C1CCC3CC(C)CCC3(C1CC2), Annotation [C15H22O-3H]+, Rule of HR True"
+216.1512	1318209
+221.13263	338782	"Theoretical m/z 221.133026, Mass diff 0 (0 ppm), Formula C17H17"
+223.14827	1001033	"Theoretical m/z 223.148676, Mass diff 0 (0 ppm), Formula C17H19"
+225.16391	4152523	"Theoretical m/z 225.164326, Mass diff 0 (0 ppm), Formula C17H21"
+226.1722	2069912
+227.17972	5423840	"Theoretical m/z 227.179427, Mass diff 0 (1.29 ppm), SMILES C=C3CCC1C(CCC2(C)(CCCC12))C3(C)C, Annotation [C17H28-5H]+, Rule of HR True"
+228.18791	2914893
+229.15888	32360466	"Theoretical m/z 229.158685, Mass diff 0 (0.85 ppm), SMILES O=C3C=C2CCC1CC(C)CCC1C2(C)CC3, Annotation [C16H24O-3H]+, Rule of HR True"
+230.16203	6384102
+231.1749	1289341	"Theoretical m/z 231.174335, Mass diff 0.001 (2.44 ppm), SMILES O=C3C=C2CCC1CC(C)CCC1C2(C)CC3, Annotation [C16H24O-H]+, Rule of HR True"
+232.18314	332775
+237.16412	482606	"Theoretical m/z 237.164326, Mass diff 0 (0 ppm), Formula C18H21"
+238.172	1003913
+239.17972	4289875	"Theoretical m/z 239.179976, Mass diff 0 (0 ppm), Formula C18H23"
+240.18282	790788
+241.15898	818792	"Theoretical m/z 241.158696, Mass diff 0 (1.18 ppm), SMILES O=CC=C2CCC1C(CC)C(C)CCC1C2(C)C, Annotation [C17H28O-7H]+, Rule of HR True"
+243.17453	1942474	"Theoretical m/z 243.174346, Mass diff 0 (0.76 ppm), SMILES O=CC=C2CCC1C(CC)C(C)CCC1C2(C)C, Annotation [C17H28O-5H]+, Rule of HR True"
+244.18245	6361220
+245.18564	1031445
+249.16392	573775	"Theoretical m/z 249.164326, Mass diff 0 (0 ppm), Formula C19H21"
+251.17975	407893	"Theoretical m/z 251.179976, Mass diff 0 (0 ppm), Formula C19H23"
+252.18788	671025
+253.19528	4724411	"Theoretical m/z 253.195084, Mass diff 0 (0.78 ppm), SMILES CC12CCC3C(CC=C4C=CCCC34C)C1CC=[C+]2, Annotation [C19H25]+, Rule of HR True"
+254.20363	4511072
+255.20648	1121372
+256.18237	1013544
+257.19034	3573622	"Theoretical m/z 257.190002, Mass diff 0 (1.31 ppm), SMILES CC12CCC3C(CCC4C=[C+]CCC34)C1CCC2=O, Annotation [C18H25O]+, Rule of HR True"
+258.19263	594380
+263.17984	1236644	"Theoretical m/z 263.179976, Mass diff 0 (0 ppm), Formula C20H23"
+267.17474	902087	"Theoretical m/z 267.17489, Mass diff 0 (0 ppm), Formula C19H23O"
+269.19067	342232	"Theoretical m/z 269.190002, Mass diff 0.001 (2.48 ppm), SMILES O=CC1CCC2C3CCC(=C)C(C)(CC)C3(CCC12(C)), Annotation [C19H30O-5H]+, Rule of HR True"
+270.19833	656479
+271.20621	2697450	"Theoretical m/z 271.205646, Mass diff 0.001 (2.08 ppm), SMILES O=C4C=C3CCC1C(CCC2(C)(CCCC12))C3(C)CC4, Annotation [C19H28O-H]+, Rule of HR True"
+272.21378	25275140
+273.21713	5337242
+274.22037	493519
+278.20316	723267
+281.19022	3078032	"Theoretical m/z 281.19054, Mass diff 0 (0 ppm), Formula C20H25O"
+282.19333	636564
+285.18503	445716	"Theoretical m/z 285.1849, Mass diff 0 (0.46 ppm), SMILES O=CC=C3CCC1C(CCC2(C)(C(C=O)CCC12))C3(C)C, Annotation [C19H28O2-3H]+, Rule of HR True"
+286.19318	505550
+296.21365	3914332
+297.21619	834583
+299.20071	17845166	"Theoretical m/z 299.20055, Mass diff 0 (0.54 ppm), SMILES O=CC2CCC3C4CCC1=CC(=O)CCC1(C)C4(CCC23(C)), Annotation [C20H28O2-H]+, Rule of HR True"
+300.20407	3927878
+301.20691	386280
+314.22427	14435122	"Theoretical m/z 314.22403, Mass diff 0 (0.76 ppm), SMILES O=C4C=C3CCC1C(CCC2(C)(C(C(=O)C)CCC12))C3(C)CC4, Annotation [C21H30O2]+, Rule of HR False"
+315.22732	3171411
+316.23056	354527
+447.34674	509682
+
+NAME: Testosterone
+SCANNUMBER: -1
+RETENTIONTIME: -1
+RETENTIONINDEX: 2733
+PRECURSORMZ: 288.20841
+PRECURSORTYPE: [M]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C19H28O2
+INCHIKEY: MUMGGOZAMZWBJJ-DYKIIFRCSA-N
+INCHI: 
+SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
+AUTHORS: Price et al., RECETOX, Masaryk University (CZ)
+COLLISIONENERGY: 70eV
+INSTRUMENT: Q Exactive GC Orbitrap GC-MS/MS
+INSTRUMENTTYPE: GC-EI-Orbitrap
+IONIZATION: EI+
+LICENSE: CC BY-NC
+COMMENT: 
+Num Peaks: 130
+67.05424	425856	"Theoretical m/z 67.054229, Mass diff 0 (0.17 ppm), SMILES CCCCC, Annotation [C5H12-5H]+, Rule of HR True"
+68.05758	32423
+69.06989	40720	"Theoretical m/z 69.069879, Mass diff 0 (0.16 ppm), SMILES CCCCC, Annotation [C5H12-3H]+, Rule of HR True"
+77.0386	701107	"Theoretical m/z 77.038579, Mass diff 0 (0.28 ppm), SMILES C=C(C)C(C)C, Annotation [C6H12-7H]+, Rule of HR True"
+78.04644	206546	"Theoretical m/z 78.046404, Mass diff 0 (0.46 ppm), SMILES CC1CCCC1, Annotation [C6H12-6H]+, Rule of HR False"
+79.05425	1677740	"Theoretical m/z 79.054229, Mass diff 0 (0.27 ppm), SMILES CC1CCCC1, Annotation [C6H12-5H]+, Rule of HR True"
+80.06205	212420	"Theoretical m/z 80.062054, Mass diff 0 (0.05 ppm), SMILES CC1CCCC1, Annotation [C6H12-4H]+, Rule of HR False"
+81.06992	591913	"Theoretical m/z 81.069878, Mass diff 0 (0.52 ppm), SMILES C1C[C+]2CCC12, Annotation [C6H9]+, Rule of HR True"
+82.07324	87864
+83.08553	132100	"Theoretical m/z 83.085529, Mass diff 0 (0.01 ppm), SMILES CC1CCCC1, Annotation [C6H12-H]+, Rule of HR True"
+91.05427	2712295	"Theoretical m/z 91.054227, Mass diff 0 (0.48 ppm), SMILES C=C(CC)C(C)C, Annotation [C7H14-7H]+, Rule of HR True"
+92.05762	347222
+93.06994	1165998	"Theoretical m/z 93.069877, Mass diff 0 (0.68 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-5H]+, Rule of HR True"
+94.07777	348187	"Theoretical m/z 94.077704, Mass diff 0 (0.7 ppm), SMILES C(C)CCCCC, Annotation [C7H15-5H]+, Rule of HR True"
+95.08556	843191	"Theoretical m/z 95.085527, Mass diff 0 (0.35 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-3H]+, Rule of HR True"
+96.05698	438830	"Theoretical m/z 96.056965, Mass diff 0 (0.16 ppm), SMILES OC1CCCC1(C), Annotation [C6H12O-4H]+, Rule of HR False"
+97.10123	225039	"Theoretical m/z 97.101177, Mass diff 0 (0.55 ppm), SMILES CC1(C)(CCCC1), Annotation [C7H14-H]+, Rule of HR True"
+103.05426	164013	"Theoretical m/z 103.054227, Mass diff 0 (0.32 ppm), SMILES C=C1CCCCC1C, Annotation [C8H14-7H]+, Rule of HR True"
+104.06209	107889	"Theoretical m/z 104.062052, Mass diff 0 (0.36 ppm), SMILES C(CC)CCCCC, Annotation [C8H17-9H]+, Rule of HR True"
+105.06992	1641197	"Theoretical m/z 105.069875, Mass diff 0 (0.43 ppm), SMILES CC1CCCCC1(C), Annotation [C8H16-7H]+, Rule of HR True"
+106.07773	362834	"Theoretical m/z 106.077702, Mass diff 0 (0.26 ppm), SMILES C(CC)CCCCC, Annotation [C8H17-7H]+, Rule of HR True"
+107.04917	231952	"Theoretical m/z 107.049141, Mass diff 0 (0.27 ppm), SMILES [OH+]=CC1=CC=CC=C1, Annotation [C7H7O]+, Rule of HR True"
+107.08556	791873	"Theoretical m/z 107.085525, Mass diff 0 (0.33 ppm), SMILES CCC1(C)(CCCC1), Annotation [C8H16-5H]+, Rule of HR True"
+108.09338	226494	"Theoretical m/z 108.093352, Mass diff 0 (0.26 ppm), SMILES C(CC)CCCCC, Annotation [C8H17-5H]+, Rule of HR True"
+109.06484	1377189	"Theoretical m/z 109.064792, Mass diff 0 (0.44 ppm), SMILES O=C1C=CC(C)CC1, Annotation [C7H10O-H]+, Rule of HR True"
+110.07266	295897	"Theoretical m/z 110.072616, Mass diff 0 (0.4 ppm), SMILES OC(CC)CCCC, Annotation [C7H15O-5H]+, Rule of HR True"
+111.11686	89809	"Theoretical m/z 111.116825, Mass diff 0 (0.32 ppm), SMILES CCC1(C)(CCCC1), Annotation [C8H16-H]+, Rule of HR True"
+115.05426	293808	"Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7"
+116.06208	54416	"Theoretical m/z 116.06205, Mass diff 0 (0.26 ppm), SMILES C=C1CCCCC1(C)C, Annotation [C9H16-8H]+, Rule of HR False"
+117.0699	705440	"Theoretical m/z 117.069875, Mass diff 0 (0.22 ppm), SMILES C=C1CCCCC1(C)C, Annotation [C9H16-7H]+, Rule of HR True"
+118.07771	180876
+119.08557	1042378	"Theoretical m/z 119.08553, Mass diff 0 (0.34 ppm), SMILES CC1CCCC(C)C1(C), Annotation [C9H18-7H]+, Rule of HR True"
+120.09339	283969
+121.10119	622111	"Theoretical m/z 121.10118, Mass diff 0 (0.08 ppm), SMILES CC1CCCC(C)C1(C), Annotation [C9H18-5H]+, Rule of HR True"
+122.07263	346341	"Theoretical m/z 122.072621, Mass diff 0 (0.07 ppm), SMILES OC(CC)CCCCC, Annotation [C8H17O-7H]+, Rule of HR True"
+123.08047	632087	"Theoretical m/z 123.08044, Mass diff 0 (0.24 ppm), SMILES O=C1C=C(C)C(C)CC1, Annotation [C8H12O-H]+, Rule of HR True"
+124.0883	3096347	"Theoretical m/z 124.088271, Mass diff 0 (0.23 ppm), SMILES OC(CC)CCCCC, Annotation [C8H17O-5H]+, Rule of HR True"
+125.09164	287870
+128.06206	220792	"Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8"
+129.06988	580911	"Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9"
+130.07767	146160
+131.08559	960647	"Theoretical m/z 131.08553, Mass diff 0 (0.46 ppm), SMILES C=C1CCCC(CC)C1C, Annotation [C10H18-7H]+, Rule of HR True"
+132.09337	265447	"Theoretical m/z 132.093348, Mass diff 0 (0.17 ppm), SMILES C(CCC)CCCC(C)C, Annotation [C10H21-9H]+, Rule of HR True"
+133.10121	554432	"Theoretical m/z 133.10118, Mass diff 0 (0.22 ppm), SMILES CC12(CCCCC2(CCC1)), Annotation [C10H18-5H]+, Rule of HR True"
+134.10901	403802	"Theoretical m/z 134.108998, Mass diff 0 (0.09 ppm), SMILES C(CCC)CCCC(C)C, Annotation [C10H21-7H]+, Rule of HR True"
+135.11685	343774	"Theoretical m/z 135.116821, Mass diff 0 (0.21 ppm), SMILES C\C=C\C=C1\CCC[C+]1C, Annotation [C10H15]+, Rule of HR True"
+136.1247	198902
+137.0961	277512	"Theoretical m/z 137.096088, Mass diff 0 (0.09 ppm), SMILES O=C1C=C(CC)C(C)CC1, Annotation [C9H14O-H]+, Rule of HR True"
+138.1039	57211
+141.06987	131615	"Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9"
+142.07773	123164
+143.08554	501343	"Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11"
+144.09331	66154	"Theoretical m/z 144.093345, Mass diff 0 (0.24 ppm), SMILES C=C1CCCC(CC)C1(C)C, Annotation [C11H20-8H]+, Rule of HR False"
+145.10117	268116	"Theoretical m/z 145.10117, Mass diff 0 (0 ppm), SMILES C=C1CCCC(CC)C1(C)C, Annotation [C11H20-7H]+, Rule of HR True"
+146.10899	254486	"Theoretical m/z 146.109004, Mass diff 0 (0.09 ppm), SMILES C(CCC)CCCC(C)CC, Annotation [C11H23-9H]+, Rule of HR True"
+147.0804	95276	"Theoretical m/z 147.080438, Mass diff 0 (0.26 ppm), SMILES O=C2C=C1CCCCC1CC2, Annotation [C10H14O-3H]+, Rule of HR True"
+147.11679	1285762	"Theoretical m/z 147.11682, Mass diff 0 (0.21 ppm), SMILES C=C1CCCC(CC)C1(C)C, Annotation [C11H20-5H]+, Rule of HR True"
+148.12456	421900	"Theoretical m/z 148.124654, Mass diff 0 (0.63 ppm), SMILES C(CCC)CCCC(C)CC, Annotation [C11H23-7H]+, Rule of HR True"
+149.09608	321248	"Theoretical m/z 149.096099, Mass diff 0 (0.13 ppm), SMILES OC1CCC2C(C)CCCC12, Annotation [C10H18O-5H]+, Rule of HR True"
+150.10381	153636
+151.11175	129271	"Theoretical m/z 151.111749, Mass diff 0 (0.01 ppm), SMILES OC1CCC2CCCCC12(C), Annotation [C10H18O-3H]+, Rule of HR True"
+152.062	37808
+155.08546	103204	"Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11"
+156.09323	64215
+158.07256	141873
+159.11679	250012	"Theoretical m/z 159.116826, Mass diff 0 (0.23 ppm), SMILES C=C1CCCC(CC)C1(C)CC, Annotation [C12H22-7H]+, Rule of HR True"
+160.08816	145963
+161.13245	257830	"Theoretical m/z 161.132476, Mass diff 0 (0.16 ppm), SMILES C=C1CCCC(CC)C1(C)CC, Annotation [C12H22-5H]+, Rule of HR True"
+162.10376	195492
+163.14809	122973	"Theoretical m/z 163.148126, Mass diff 0 (0.22 ppm), SMILES C=C1CCCC(CC)C1(C)CC, Annotation [C12H22-3H]+, Rule of HR True"
+164.11951	206339
+165.12733	237526	"Theoretical m/z 165.127389, Mass diff 0 (0.36 ppm), SMILES OC1CCC2C(C)CCCC12(C), Annotation [C11H20O-3H]+, Rule of HR True"
+169.10114	92813	"Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13"
+171.11676	144863	"Theoretical m/z 171.116826, Mass diff 0 (0.38 ppm), SMILES C=C1CCC2CC(C)CCC2(C1C), Annotation [C13H22-7H]+, Rule of HR True"
+172.08818	132181
+173.1324	250167	"Theoretical m/z 173.132476, Mass diff 0 (0.44 ppm), SMILES C=C1CCC2CC(C)CCC2(C1C), Annotation [C13H22-5H]+, Rule of HR True"
+174.10378	253404
+175.11162	210353	"Theoretical m/z 175.111749, Mass diff 0 (0.74 ppm), SMILES O=C2C=C1CCCC(C)C1(C)CC2, Annotation [C12H18O-3H]+, Rule of HR True"
+176.11943	88738	"Theoretical m/z 176.119574, Mass diff 0 (0.82 ppm), SMILES O=C2C=C1CCCC(C)C1(C)CC2, Annotation [C12H18O-2H]+, Rule of HR False"
+177.1637	38439	"Theoretical m/z 177.163776, Mass diff 0 (0.43 ppm), SMILES C=C1CCC2CC(C)CCC2(C1C), Annotation [C13H22-H]+, Rule of HR True"
+183.11676	46215	"Theoretical m/z 183.116831, Mass diff 0 (0.39 ppm), SMILES C=C1CCC(CC1C)C2CCCC2(C), Annotation [C14H24-9H]+, Rule of HR True"
+185.13243	817797	"Theoretical m/z 185.132481, Mass diff 0 (0.28 ppm), SMILES C=C2CCC1CC(C)CCC1C2(C)C, Annotation [C14H24-7H]+, Rule of HR True"
+187.14806	422332	"Theoretical m/z 187.148122, Mass diff 0 (0.33 ppm), SMILES CC2CCC1C(CCCC1(C)(C))C2(C), Annotation [C14H26-7H]+, Rule of HR True"
+188.1559	151252	"Theoretical m/z 188.155947, Mass diff 0 (0.25 ppm), SMILES CC2CCC1C(CCCC1(C)(C))C2(C), Annotation [C14H26-6H]+, Rule of HR False"
+189.12735	68862	"Theoretical m/z 189.127389, Mass diff 0 (0.21 ppm), SMILES O=C2C=C1CCCC(CC)C1(C)CC2, Annotation [C13H20O-3H]+, Rule of HR True"
+189.16364	163919	"Theoretical m/z 189.163772, Mass diff 0 (0.7 ppm), SMILES CC2CCC1C(CCCC1(C)(C))C2(C), Annotation [C14H26-5H]+, Rule of HR True"
+190.13504	97146
+195.11685	57370	"Theoretical m/z 195.117375, Mass diff 0 (0 ppm), Formula C15H15"
+197.13249	50230	"Theoretical m/z 197.132481, Mass diff 0 (0.04 ppm), SMILES C=C3CCC2C(CCC1CCCC12)C3C, Annotation [C15H24-7H]+, Rule of HR True"
+199.14803	221936	"Theoretical m/z 199.148122, Mass diff 0 (0.46 ppm), SMILES C=C2CCC1C(C)C(C)CCC1C2(C)C, Annotation [C15H26-7H]+, Rule of HR True"
+200.15579	108028
+201.16364	216321	"Theoretical m/z 201.163772, Mass diff 0 (0.65 ppm), SMILES C=C2CCC1C(C)C(C)CCC1C2(C)C, Annotation [C15H26-5H]+, Rule of HR True"
+202.17162	208618
+203.14304	1200123	"Theoretical m/z 203.143035, Mass diff 0 (0.02 ppm), SMILES OC3CCC2C3(CCC1C(C)CCCC12), Annotation [C14H24O-5H]+, Rule of HR True"
+204.14627	283454
+206.16646	32118
+209.13243	45976	"Theoretical m/z 209.133026, Mass diff 0 (0 ppm), Formula C16H17"
+211.14809	272618	"Theoretical m/z 211.148132, Mass diff 0 (-0.2 ppm), SMILES CC1=C(C)C2=C([CH+]CCC=C(C)\C=C/2)C=C1, Annotation [C16H19]+, Rule of HR True"
+212.15134	57168
+213.16373	355360	"Theoretical m/z 213.163773, Mass diff 0 (-0.2 ppm), SMILES CC1=C(C)C2=C([CH+]CCC=C(C)CC2)C=C1, Annotation [C16H21]+, Rule of HR True"
+214.16698	92310
+215.143	60304	"Theoretical m/z 215.143035, Mass diff 0 (0.16 ppm), SMILES OC3CCC2C3(CCC1C(C(=C)CCC12)C), Annotation [C15H24O-5H]+, Rule of HR True"
+216.15102	55312
+217.15874	113508	"Theoretical m/z 217.158691, Mass diff 0 (0.23 ppm), SMILES OC3CCC2C3(CCC1C2(CCCC1(C)(C))), Annotation [C15H26O-5H]+, Rule of HR True"
+218.16704	51076
+226.17177	37673
+227.1797	204277	"Theoretical m/z 227.179433, Mass diff 0 (1.18 ppm), SMILES C=C2CCC1C(CC)C(C)CCC1C2(C)CC, Annotation [C17H30-7H]+, Rule of HR True"
+228.1873	842856
+229.1588	359919	"Theoretical m/z 229.158691, Mass diff 0 (0.48 ppm), SMILES OC3CCC2C3(CCC1C2(CCC(=C)C1(C)(C))), Annotation [C16H26O-5H]+, Rule of HR True"
+230.16186	41138
+231.17433	428563	"Theoretical m/z 231.174335, Mass diff 0 (0.02 ppm), SMILES O=C3C=C2CCC1C(C)CCCC1C2(C)CC3, Annotation [C16H24O-H]+, Rule of HR True"
+232.17703	61957
+237.16373	184777	"Theoretical m/z 237.164326, Mass diff 0 (0 ppm), Formula C18H21"
+238.16693	38109
+241.15854	66162	"Theoretical m/z 241.158691, Mass diff 0 (0.62 ppm), SMILES O=C3C=C2CCC1C(CC)CCCC1C2(C)CC3, Annotation [C17H26O-5H]+, Rule of HR True"
+242.16649	51489
+245.19052	102650	"Theoretical m/z 245.189996, Mass diff 0.001 (2.14 ppm), SMILES OC1CCC2C3CCC(=C)C(C)(C)C3(CCC12(C)), Annotation [C17H28O-3H]+, Rule of HR True"
+246.19786	1126362
+247.2011	212107
+252.18724	143505
+255.17436	288345	"Theoretical m/z 255.174341, Mass diff 0 (0.08 ppm), SMILES O=C3C=C2CCC1C4CCCC4(CCC1C2(C)CC3), Annotation [C18H26O-3H]+, Rule of HR True"
+256.17764	54890
+259.16943	50245	"Theoretical m/z 259.169244, Mass diff 0 (0.72 ppm), SMILES O=C3C=C2CCC1C(C)C(CO)CCC1C2(C)CC3, Annotation [C17H26O2-3H]+, Rule of HR True"
+260.17758	70396
+270.19791	397018
+271.20062	89701
+273.18549	199263	"Theoretical m/z 273.184894, Mass diff 0.001 (2.18 ppm), SMILES O=C3C=C2CCC1C4CCC(O)C4(CCC1C2(C)CC3), Annotation [C18H26O2-H]+, Rule of HR True"
+274.18863	88305
+288.20841	1123316	"Theoretical m/z 288.208375, Mass diff 0 (0.12 ppm), SMILES O=C4C=C3CCC1C(CCC2(C)(C(O)CCC12))C3(C)CC4, Annotation [C19H28O2]+, Rule of HR False"
+289.21173	220898
+
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/scores_test1_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,175 @@
+	C001	C002	C003	C004	C005	C006	C007	C008	C009	C010	C011	C012	C013	C014	C015	C016	C017	C018	C019	C020	C021	C022	C023	C024	C025	C026	C027	C028	C029	C030	C031	C032	C033	C034	C035	C036	C037	C038	C039	C040	C041	C042	C043	C044	C045	C046	C047	C048	C049	C050	C051	C052	C053	C054	C055	C056	C057	C058	C059	C060	C061	C062	C063	C064	C065	C066	C067	C068	C069	C070	C071	C072	C073	C074	C075	C076	C077	C078	C079	C080	C081	C082	C083	C084	C085	C086	C087	C088	C089	C090	C091	C092	C093	C094	C095	C096	C097	C098	C099	C100	C101	C102	C103	C104	C105	C106	C107	C108	C109	C110	C111	C112	C113	C114	C115	C116	C117	C118	C119	C120	C121	C122	C123	C124	C125	C126	C127	C128	C129	C130	C131	C132	C133	C134	C135	C136	C137	C138	C139	C140	C141	C142	C143	C144	C145	C146	C147	C148	C149	C150	C151	C152	C153	C154	C155	C156	C157	C158	C159	C160	C161	C162	C163	C164	C165	C166	C167	C168	C169	C170	C171	C172	C173	C174
+C001	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01131824210476606	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.048050183216295894	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+C002	0.0	1.0	0.0	0.0	0.0	0.0	0.0	9.826519226227062e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.058818978905494305	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012123553350886735	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003604401443170206	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+C003	0.0	0.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001996725260781092	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003441767933265955	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/scores_test3_out.tsv	Tue Mar 22 16:07:32 2022 +0000
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+Perylene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0032741303817077237	0.0	0.01059895859620056	0.0	0.0	0.011988179251417755	0.004445067503941489	0.0	0.0	0.0	0.0	0.0	0.010205422020394999	0.0	0.0	0.07094451588225481	0.0	0.0	0.0012435925952213776	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0028113782310797255	0.0	0.0	0.0015057844692663734	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015722861787553524	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04875136828344371	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.023395854503055747	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07014255094522087	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Phenanthrene_2H10	0.0024478437470211957	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.044583058787688194	0.0	0.0	0.010556784103056164	0.0	0.0	0.0	0.0	0.0	0.0	0.053243824199748255	0.0	0.7408591267092633	0.0	0.0	0.0	0.0	0.12202560685242986	0.04568269717012136	0.004157278401108382	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028649962860904238	0.0	0.0391645806143903	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008485163950429123	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004892255878207329	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027071584755955534	0.0	0.0	0.0
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+Anthracene	0.005170504315421087	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015784181210948547	0.1192969808182156	0.0	0.06816533173076587	0.0	0.0	0.0	0.0003322820684536344	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002694471382675938	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010829995945799812	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02436483388062993	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006939276212234662	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026214571921510315	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Acenaphthylene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003934405261006229	0.0	0.0	0.540073031173669	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009962953778207079	0.0	0.0	0.008082612556477055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018853105933565383	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.09634545222543957	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05637926040436767	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Fluoranthene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0022507909666510243	0.0	0.0	0.0	0.0	0.15612829213855417	0.008970227348871448	0.0	0.12015242355299775	0.0	0.0	0.0	0.001973969354737519	0.005394029160841622	0.0	0.0	0.0017124914331443396	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05995341315280979	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01141309943268154	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014085725296766107	0.03292124740879622	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Pyrene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0026208582867621954	0.0	0.0	0.0	0.0	0.1531913651235487	0.0	0.0	0.1216568587367081	0.0	0.0	0.0	0.002053663682544867	0.005348926122692319	0.0	0.0	0.001951977690574852	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05952296847871486	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014336250753004438	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01928167839944009	0.04123366439327235	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+para-Terphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.0010056755114578168	0.0005278138603087209	0.0	0.0	0.0	0.0	0.02982414128686115	0.006712525179512707	0.0	0.038805209849677204	0.0	0.0	0.0005116800200200359	0.0	0.0	0.0	0.0	0.000316889469090251	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0042928518661660385	0.0	0.0	0.0	0.0	0.0	0.0	0.0005549289154951426	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009972907514611443	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12397585027381679	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010039029476146055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06916386010272153	0.0	0.0	0.0	0.0	0.0	0.01168900676941338	0.0	0.06160286924972036	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013901941724911064	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Retene	0.0	0.0	0.0	0.0	0.002498279287770865	0.0	0.16318259462298138	0.00027584453393851447	0.0	0.0	0.0	0.0	0.23863667597905663	0.011723665935218857	0.0	0.015987988706648706	0.0	0.0	0.0005419559909635751	0.0	0.18399960650869537	0.0	0.05070628382345822	0.0004007411357286729	0.0	0.0	0.0	0.0	0.0010658030983588566	0.000920429391526677	0.0	0.0	0.012703946120912283	0.0	0.0	0.0	0.0915760397825296	0.0	0.0	0.0007657540369717141	0.0	0.0	5.90712698667533e-05	0.0	0.37472668579836427	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0023905522810357734	0.0	0.004765710713435894	0.0	0.0	0.0011155619674006398	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002897341770419713	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027215635248062454	0.0	0.0	0.08109991817143386	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019842646657069985	0.0	0.0	0.0	0.0	0.0	0.004145472606101591	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03892542198159624	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.034400396452738305	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzo[b]naphtho[2,1-d]thiophene	0.027517204661515887	0.0	0.0	0.0	0.0	0.0	0.4302304171927885	0.0004174696812856378	0.0	0.0	0.0	0.0	0.01590452303227162	0.0	0.0	0.017253181858062683	0.0	0.0	0.0	0.0	0.0	0.0	0.03381396938552944	0.00017077679878966774	0.0	0.0	0.0	0.0	0.013401134090779292	0.0012404670662591398	0.0	0.0	0.005749393863248603	0.010586674443447339	0.0	0.0	0.0	0.0	0.0	0.0014619155433967127	0.0	0.0	7.797126793763888e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004563848661861845	0.0	0.010722243887729604	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027342407295164965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1646683726347723	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008648734303397985	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3-Benzofluorene	0.0	0.0	0.0	0.0	0.0009993808171189186	0.0	0.008171102308401169	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002469751794814823	0.0	0.0	0.024618939515756447	0.0	0.0	0.0	0.014717889478973924	0.002792622764334155	0.0	0.0	0.0	0.0	0.0010303146313261056	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007402564221326204	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002310953116850344	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003487455910835161	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002213328147349195	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0042494104605244115	0.0	0.0	0.0	0.01144723372807121	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzo[ghi]fluoranthene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06924369287704123	0.0	0.0	0.07006464162355912	0.0	0.0	0.0	0.0009784420614881958	0.0006301570004931673	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009586640585401854	0.0	0.0	0.0	0.0	0.0	0.0	0.03336110246477795	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07871628081200535	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009651896948730478	0.0	0.0	0.004269287371228092	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triphenylene	0.0	0.0	0.0	0.0	0.0	0.0	0.001317867288721147	0.00029649208746444224	0.0	0.0	0.0	0.0	0.024431765316307644	0.0	0.0	0.03410120586084024	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002955046606082147	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017244945785899592	0.0	0.0	0.0	0.0	0.0	0.0	0.0035797059172683584	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03420742166423769	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.15079388968735358	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13430910675416846	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007937828490565632	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Dibenzanthracene	0.0	0.000380398687019997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011034281091857505	0.0	0.00045537515660845857	0.0	0.0	0.0029732195425623584	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007350128988350405	0.0	0.0	0.00041910824126276976	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009426794131903065	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012602534028788514	0.0	0.04625812913249158	0.0	0.014167621029620275	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016195929830165284	0.0	0.0	0.0	0.0	0.0	0.0	0.011116376356984394	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02363902879230525	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Dicofol	0.04143425312948155	0.0	0.0	0.0	0.0037363304539129645	0.0	0.00011541377422536278	0.0	0.0	0.0	0.0	0.0	0.002243092162837709	0.038553883465691136	3.877690003622399e-05	0.034980258831001795	0.017618470486940048	0.0	0.0	0.0	0.00035320570261835	0.0	0.0	0.0009556987111216446	0.0	0.32235849897575225	0.0011517128488703992	0.0	0.006863248365547824	0.011961752698843696	0.0	0.0	0.0036130502797403733	0.006778170616790882	0.0	0.0	0.0006204609113745883	0.0024518862842928184	0.0	0.008783988028550002	0.0	0.0	0.0018951613810712802	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015393982303897526	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03912542247197474	0.0	0.0	0.0	0.0014249571324293677	0.0	0.007952414961361837	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008582808094312556	0.007932763363242492	0.0	0.0	0.005762084519733278	0.0	0.0	0.0	0.00999798068222119	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013205951834367907	0.0	0.0	0.01874822202305313	0.0	0.0	0.0	0.020615850606079532	0.01423820411502238	0.0	0.013556729975742626	0.0	0.0	0.0	0.0	0.0	0.0	0.0011618593687937081	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008749841889747713	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzophenone	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005706314247680144	0.0	0.0	0.0018787450050908852	0.0	0.0	0.03827286256444596	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0047914217524716645	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.20835156889015943	0.0	0.0	0.0	0.0	0.0	0.3484217666931859	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00822175027166484	0.0001708980702732354	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11437881024084885	0.0	0.0028672922608920953	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006788551197257503	0.038631801219795196	0.017704010000812936	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00941160706151016	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-tert-Butyl-4-methoxyphenol	0.0	4.517209535230276e-05	0.0	2.077916507987839e-05	0.0	0.0	0.0	0.00032084590603741376	0.0	0.0	0.0008593900004291049	0.0	0.00023806256051119292	0.0	2.8631776725848564e-05	0.00633419667105764	0.021915810750388235	0.0	0.0	0.0	0.0	0.0	0.0	0.0014439082299533923	0.0	0.0	0.001111009664461038	0.0	0.00032641676303174635	0.0	0.0	0.0	0.055107289478538116	0.03677980614528437	0.0	0.0	0.002498380035358566	0.0010548833320387647	0.0044056999917899565	0.028060502462476548	0.0	0.0	0.024230314033007294	0.0	0.00023107735189430094	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05043981251180291	0.008105790655807951	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018028797871756024	0.0	0.009813660774445227	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008239537088532433	0.04845013255379868	0.02301682749418255	0.0031537632540190067	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012062646365717496	0.0	0.0014452497487749195	0.0	0.0	0.018410936602796826	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03221238389395906	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Butylated hydroxytoluene	0.0	5.074569029445842e-05	0.0	0.0	0.0	0.0	0.0006917193005145305	0.0005205107189988396	0.0	0.0	0.0	0.0	0.0	0.0	8.514840739449148e-05	0.005050900150687884	0.038250082886488436	0.0	0.0	0.0	0.0	0.0	0.4899347755610659	0.0	0.0	0.0	0.0044883116977720945	0.0	0.0011194953090622277	0.012440289678771643	0.0	0.0	0.006184172682378105	0.016500181934760206	0.0	0.0	0.0	0.0	0.0	0.0008043306062867704	0.0	0.0	0.06109157175422206	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0025109816895901665	0.0	0.0003232709319389989	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03588383916233871	0.0	0.013951594545485096	0.0	0.0024303011281819956	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019987341084238735	0.000844464092075611	0.0	0.0	0.004275657753675458	0.0	0.0	0.0	0.0	0.0	0.046735875621526556	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0795671273237932	0.0	0.0	0.020632329765315163	0.0	0.0	0.0	0.01736568306015014	0.0	0.002080398842249916	0.0	0.0	0.0	0.0	0.0	0.0	0.0025224219770805406	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01778468514685862	0.0	0.0	0.0	0.007977226309144131	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Bumetrizole	0.013589432827502235	0.002895905411231939	0.0	5.3160077960240374e-06	0.0	0.0	6.269134744493915e-05	0.001578012879143772	0.0	0.0	0.012916524781813848	0.0	0.0016584470194678368	0.0	0.0	0.03757634521816517	0.000428480863288573	0.0	0.0	0.0	0.0	0.0	0.014532300878125615	0.0	0.0	0.0	0.0040651504858204195	0.032076043381581244	0.0138796093188653	0.0010924162059162614	0.0	0.0	0.02670532380212121	0.028935788503859555	0.0	0.0	0.0006391694610606883	0.013522042161827504	0.0	0.031543786151612796	0.0	0.0	0.015047245984253582	0.0	8.70027756219081e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002023782532808894	0.0	0.2310571211221721	0.0	0.0	0.03119079041905811	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005285968872737768	0.0	0.012223170617582876	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.039978627839045745	0.0	0.002548677585107611	0.005187735784730837	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017496917647964526	0.0	0.0	0.0	0.0	0.0	0.001723210487978378	0.007173311161048182	0.0	0.0	0.010802567853405684	0.0	0.0	0.0	0.01691450043370897	0.0842957501725552	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012687269640177768	0.0	0.024788540938889003	0.026843272313425322	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.043370923236287745	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4-Methylbenzophenone	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.416302726931944e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020254155978949678	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017505140671910898	0.0	0.0	0.0	0.0	0.0	0.0008535320989668611	0.0	0.0	0.04779237055083502	0.040002700517708864	0.0	0.0	0.0	0.0	0.0034272810339074002	0.4109902714333577	0.0	0.0	0.0018803515278140936	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021281140065075272	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016868662449796613	0.07742825044153773	0.009674374807026419	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007815728295513562	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009865644880252688	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4,6-Tribromophenol	0.007592728624514302	0.00048316264590392787	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0026029852579378156	0.0	0.0019119371956817267	0.008210785238719669	0.0	0.007850464763623187	0.0	0.0	0.0	0.0	0.0	0.005573515509600891	0.0	0.0014784723680558354	0.0	0.003664538913612979	0.0006582795241334984	0.0	0.0029390419632593836	0.0030000316714027015	0.0	0.0	0.00851164354669048	0.009113296462948901	0.016629005274255464	0.0	0.0	0.008559422193349155	0.0010430222282967008	0.0	0.0	0.0	0.011457963453850624	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0001246177925113003	0.0	0.0	0.009136801121909947	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007619051103140746	0.0	0.021534391546539446	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.031004310447013593	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009439117204284106	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018768507278378713	0.0	0.0	0.02249085568416543	0.021170270224448444	0.01554679122657138	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008136343760106869	0.0	0.0	0.0	0.07068453896697577	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009851819327085929	0.0	0.0	0.0
+2,6-Dichloro-4-nitroaniline	0.0018426396161688563	0.0	0.0	0.0	0.0007364517967910104	0.0	0.0	0.0	0.0	0.0	0.008917363875631855	0.20998341159494333	0.009407567612810435	0.3389895700470838	0.00017467872406610864	0.031334687082751694	0.06603067908403037	0.0	0.0	0.00161676547468782	0.03309283456090733	0.0	0.0007788544250027408	0.0	0.0	0.004012120244760139	0.001732317080411475	0.12263564449998407	0.009338553096768789	0.02573818639901084	0.0	0.0	0.02943593219546081	0.0	0.0	0.0	0.04104695197444697	0.004810065979860495	0.0	0.00030251964663582497	0.0	0.0	0.0009086438543945318	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009444142588961908	0.0	0.0	0.0050818610376385685	0.0	0.00875790251366314	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011461750150897435	0.0	0.0	0.0	0.00015243205887551124	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016364374845644243	0.003168170818057273	0.04763036765562203	0.006937113701049354	0.007744805017418262	0.0	0.0	0.0	0.017510828062196594	0.0	0.0	0.0	0.0	0.009322005830242057	0.0	0.0	0.0	0.0	0.0	0.0011418526354494971	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004350745512636173	0.0	0.02710681442633395	0.0	0.0	0.020178275515467154	0.0938287589240295	0.022212173778468982	0.0	0.010649366645060344	0.0	0.0	0.0	0.0	0.006336688203293554	0.0	0.0	0.016789733660533466	0.040553758449208874	0.0294612172379867	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.024872471903115995	0.0	0.0	0.0
+1-Methylphenanthrene	0.0	0.0	0.0	0.0	0.0	0.0	0.017394916904760402	7.183635766099932e-05	0.0	0.0	0.0	0.0	0.0	0.012947353696707528	0.0	0.007641239600528441	0.0	0.0	0.0	0.0	0.0	0.0	0.024217950387980244	0.0007857836418926071	0.0	0.0	0.0	0.0	0.0113432881067781	0.003186786782171708	0.0	0.0	0.0003556457393100342	0.012882946902510241	0.0	0.0	0.5459366395303993	0.0	0.0	0.0018926764829462484	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005908610160859066	0.005105294441563014	0.0	0.0	0.0	0.028487419847197902	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013933181555500147	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04581981845552942	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08797033376069806	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006687995848802032	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triclosan	0.012708369345970603	1.1353440777703514e-05	0.0	0.0	0.0	0.0	0.0012063247409985843	0.0013785365286304201	0.0	0.0001880533095454738	0.0016467983548925297	0.0	0.0014199819931232371	0.0	4.841616261514405e-05	0.012721192445889538	0.0002627497412468063	0.0	0.13434903881343435	0.00019722082178775212	0.016702378083137345	0.0	0.041005407392858254	0.0008160937832073948	0.0	0.0	0.003801601824460306	0.0	0.04523709081146767	0.004790305820704356	0.0	0.0	0.003658569757126253	0.007721070327539396	0.0	0.0	0.0	0.08733871677757318	0.0008993125868383488	0.012037000164394624	0.0	0.0	0.007734797594627411	0.0	0.00586693269983648	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009892141217009355	0.0	0.006230664142691052	0.00042994137472215666	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011780498675545446	0.0	0.0	0.0	0.011008264471069111	0.0	0.0	0.016958321321396196	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013528570579893347	0.0	0.0	0.45698434756503675	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02103834599907194	0.0	0.0	0.0	0.011500668616663233	0.0	0.0	0.0	0.03295152601733481	0.008542859346752424	0.0	0.0009049605728205928	0.0	0.0	0.0	0.0	0.0	0.008706749529421139	0.0	0.009015523132903857	0.026391325344210684	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004044321236599897	0.02645036504311327	0.0	0.0	0.0	0.0	0.0	0.0003666737227948113	0.0	0.0	0.0	0.014411556142310322	0.0	0.0	0.0	0.0	0.0	0.0	0.005974153783737237	0.0	0.0	0.0
+Drometrizole	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00015475784654388916	0.0	0.0	0.0	0.0	0.010758869824193018	0.0	0.0	0.5535081364244014	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004468543623257018	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018333474259380044	0.023594409882491736	0.0	0.0	0.011698720877442444	0.0	0.0	0.005467608575022158	0.0	0.0	0.00042731446479809973	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0027640824079271783	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010574703638214496	0.010435270035889174	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009332626826831891	0.0	0.0	0.0	0.0	0.0	0.0011524735936033414	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008044551032106677	0.0	0.0	0.0	0.00934347849521253	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Enzacamene	0.0	5.416880671642315e-05	0.0	0.0	0.0	0.0	0.04014219803045394	0.0018857200039600383	0.0	0.002127119971248009	0.015171307172532868	0.0	0.02874750390714468	0.0028788745198685133	7.15549574470621e-05	0.07789616874658584	0.0	0.0	0.0	0.002899319630322553	0.07585479067974832	0.0	0.01370923509076016	0.004071881392451565	0.0	0.00659119072795949	0.00842811064022419	0.0	0.026102237482088505	0.0004197396547447769	3.4304324780839144e-06	0.0	0.020405471592970067	0.10318978581605952	0.0	0.0	0.009769485035554389	0.0	0.000679748615581251	0.08437753348477998	0.0	0.0	0.0967832013037473	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.024211386906599353	0.0037575900445200256	0.0	0.0	0.012409238073854653	0.0	0.0	0.0	0.0	0.0	0.03652525847826257	0.0	0.0	0.0	0.0	0.0	0.00514322924120554	0.0	0.05910879320548526	0.0	0.0082176496607022	0.0	0.0	0.0	0.0	0.03594708384861701	0.0027941161896798995	0.0	0.00038364358802731155	0.0	0.0	0.0	0.0	0.0	0.0203553256284778	0.008612369716440495	0.0343178556650527	0.036729740817190465	0.04156739341491691	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002801242331798357	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16429960277928815	0.0	0.0	0.0	0.0	0.03687806180902657	0.0	0.0	0.004249664280928588	0.018093853060312977	0.0	0.013708038901138128	0.0	0.0	0.0	0.0	0.0	0.0035899956628836307	0.006955903441572259	0.007190465902250833	0.003037531862485989	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.031788204510112945	0.0	0.0	0.0	0.05864187188570607	0.1439694023019755	0.0	0.0	0.0	0.0	0.0	0.0010670869143745948	0.0	0.0	0.0	0.11254748589634599	0.0	0.0	0.0	0.0	0.0	0.0	0.027909197078896414	0.0	0.0	0.0
+2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	0.0	2.9011518440272738e-05	0.0	0.0	0.0	0.0	0.03174378631364983	0.14195437580423256	0.0	0.0	0.0	0.0	0.0	0.0	8.215187062374476e-05	0.0076052847959313	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0028027194199839087	0.005460853256856252	0.0	0.0	0.0	0.00018874653116010266	0.0	0.0	0.0	0.0	0.00032742642688053685	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0037742719429555488	0.0010852182130677783	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02659702920993198	0.0	0.010769608973203393	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008044311849825194	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01049783781854528	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011125358000066027	0.0	0.0	0.0	0.008428438937690397	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012823111431235042	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04732776045289415	0.0	0.0	0.0	0.0	0.00958985201515543	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007464549929180289	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Octrizole	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0001609106891889317	0.0	0.0010451511631879714	0.0	0.0	0.0	0.0	0.0	0.008806415717719732	0.0	0.0	0.05246974007550615	0.0	0.0	0.0	0.0	0.0	0.0	0.013325277019947603	0.0007111537870434887	0.0	0.0	0.0	0.0	0.0	0.0031112164183991807	0.0	0.0	0.00019142015233784227	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01666123709337343	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.042068305950864054	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2,7,9-Tetrachlorodibenzofuran	0.011065604987218237	0.0	0.0	0.0	0.0	0.0	7.300099863221064e-05	0.0	0.0	0.0	0.0	0.0068725742025052446	0.0009163757117574524	0.0	0.0	0.016977133882684077	0.02300341244104265	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005361983353412135	0.0	0.0	0.012223419390381145	0.0	0.007897091351135654	0.0	0.0	0.0	0.0006083283008952967	0.0	0.0	0.0	0.010242259532921804	0.0	7.487372023120806e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006111121200627387	0.0	0.0	0.007269793841691397	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04761561888930452	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011759412460374137	0.0	0.0040593643240548465	0.0	0.1608698849788031	0.036454850828025964	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008352968943856587	0.0	0.0	0.0071204905702380175	0.0	0.0	0.0	0.0	0.0	0.002709686369447245	0.0	0.0	0.0	0.0	0.002418718891346104	0.007648229557671306	0.0	0.001202971354816431	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4,5,5',6-Heptachlorobiphenyl	0.023212668685660867	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00010345710234634908	0.004463691114535746	0.0019370706429481415	0.0008864844843432873	0.0	2.3634703765037333e-05	0.01150112228626155	0.00122576564504016	0.0	0.0009947924888304644	0.0	0.004094794078917985	0.0	0.008694888854021835	0.0	0.0	0.0	0.0004260970997720541	0.0	0.0	0.0208355492517318	0.0	0.0	0.00044166001596784854	0.01939817394599408	0.0	0.005420881590981559	0.0	0.002454369464898754	0.0011994642666679695	0.006444272456366651	0.0	0.0	0.008552509665997098	0.0	0.0001033842765488309	0.0	0.0	0.0	0.0	0.0	0.0	0.009385762658451067	0.0	0.0	0.0011138845679854864	0.0	0.0	0.0005947392379106001	0.00868855145575117	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005546497084707677	0.0	0.0	0.0	0.0	0.0	0.0	0.004389692609425795	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010323655877583027	0.0007242817443826425	0.0	0.0	0.005491229929069884	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029826251884370347	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012105770166498588	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02648119469342404	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4,6-Trichlorobiphenyl	0.014081587929515115	0.0	0.0	0.0	0.0	0.0	0.06900407365470154	0.0	0.0	0.0	0.0031376533344670745	0.007614715943620007	0.008024149034964623	0.0	0.0	0.00880170805096849	0.002095251041647359	0.0	0.0	0.0	0.0011638064437777275	0.0	0.11883919623767099	0.00032800664222790935	0.0	0.0	0.0	0.007295951979065653	0.003369496383582726	0.012528614267470867	0.0	0.0	0.007568637392797548	0.0	0.0	0.0	0.0004137469870445615	0.0	0.0	0.0	0.0	0.0	0.022331511713640177	0.0	0.0014658722742591811	0.0	0.0	0.0	0.0	0.0	0.0	0.08544380268109059	0.0	0.0	0.1414846829432177	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005679851565855247	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013526948625888017	0.0	0.0	0.0	0.0	0.06526172525015844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006465535516859338	0.0	0.0	0.0	0.0	0.0	0.0	0.02330611255772146	0.0	0.0	0.0	0.0	0.00581927624067925	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01176888067096838	0.0	0.0	0.0
+2,2',3,3',4,5',6,6'-Octachlorobiphenyl	0.026569861497356174	0.012935401162453865	0.0	0.0	0.0	0.0	0.003739509760549209	0.0	0.0	0.0014465005924661867	0.00860135456003028	0.003299480360483372	0.020653491355253847	0.02521976379497461	1.1415455460802996e-05	0.021911594964658308	0.0008829737054313095	0.0	0.000772382698240204	0.0014971311879599643	0.036633955603975	0.0	0.015599696886205805	0.047697476318282125	0.0	0.020419513867933937	0.0010927985850561893	0.0	0.011062431371874043	0.00475237973128226	5.164951992800529e-06	0.0	0.014802201707609338	0.01555266373840218	0.0005996106528964471	0.005291871261236918	0.011965129570447175	0.00020141047759655956	0.001191115105189859	0.054628161077559634	0.0	0.0	0.0	0.0	0.00921880185992119	0.0	0.0	0.0	0.0	0.0025594029468961185	0.0	0.0	0.0	0.003330867168852128	0.0	0.0002298403487178798	0.0	0.0	0.03877707699409269	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001193751097772195	0.0	0.0003944803219578676	0.0	0.0	0.003731815752174108	0.0	0.0	0.0	0.12064211458558788	0.004206896965383266	0.0	0.0010071305663791354	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001041875286205705	0.04686363634797806	0.018568792787142813	0.0	0.11149221630182125	0.0	0.0	0.0	0.0	0.0	0.0	0.0030307090534316848	0.0	0.002136960808938849	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016103457849300715	0.0	0.0	0.0	0.0	0.0	0.0	0.015396310178126335	0.0	0.0	0.0	0.0017471865042797	0.0	0.0	0.0	0.0	0.0	0.0054051946428378276	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03571233346260429	0.0	0.0	0.126490960514005	0.0	0.0	0.0	0.027527957023956807	0.03268257487763798	0.0	0.0	0.0	0.0	0.0	0.001739678622845111	0.0	0.0	0.0	0.011031089938855581	0.0042261565292584825	0.0	0.0	0.0	0.0	0.0	0.03772054209943504	0.0	0.0	0.0
+Mirex	0.0030812697073434882	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007702484441742499	0.0	0.0014719465600583732	0.0	0.0	0.0001611467425783867	0.0	0.007805365914393756	0.0	0.0	0.011884988666755195	0.0005902136819729806	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01411924556825088	0.0	0.01868597293191503	0.0	0.0	0.004426228386875335	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013311679503253732	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001007377531429365	0.0	0.0	0.0	0.0019173478164811893	0.014889672820681708	0.0	0.0	0.0	0.0	0.0	0.006260329060739294	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011065875065033683	0.0	0.034099994872721084	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+beta-Hexachlorocyclohexane	0.08566109271531637	0.0	0.0	0.0	0.0	0.0	0.00027585439659461866	0.0	0.0	0.0	0.0	0.0003964676014277044	0.00019302626577637612	0.0	5.1886050421158864e-05	0.0022175036642188783	0.02227309087044651	0.0	0.0	0.0	0.0	0.0	0.01594951406871105	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0024284398632864563	0.0	0.036142560817964346	0.0	0.0007228233798680671	0.0008598874824141087	0.0	0.0	0.0	0.0	0.041046991759160684	0.0	0.0008455197222560446	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08050311780152059	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0021361388503582115	0.002113505626273351	0.0	0.0	0.0	0.0	0.0	0.01878726396519612	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010354268681009126	0.04843622664224739	0.0	0.0006345551040355006	0.0	0.0	0.0	0.0	0.12103059672461723	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-1,2,3,4,5,6-Hexachlorocyclohexane	0.06416950604681879	0.0	0.0	0.0	0.0	0.0	0.00031092414876202914	0.0	0.0	0.0	0.0	0.0	0.00011904881572128505	0.0	3.216738567876627e-05	0.0020292652274117246	0.014618011206061618	0.0	0.0	0.0	0.0	0.0	0.015515537846245563	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017827056677008279	0.0	0.02277392334583631	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02444410935010648	0.0	0.0006663345865748001	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07489326506186586	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011761499595273864	0.001556161310974019	0.0	0.0	0.0	0.0	0.0	0.016387595592452942	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011189735330210015	0.03722751083633222	0.0	0.0005830292299028663	0.0	0.0	0.0	0.0	0.0768559380918538	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Lindane	0.06568880405919736	0.0	0.0	0.0	0.0	0.0	0.00029349824157934274	0.0	0.0	0.0	0.0	0.0	0.00014552812521950655	0.0	3.773288245462863e-05	0.0021970133614862375	0.015593599255312078	0.0	0.0	0.0	0.0	0.0	0.016466987609535185	0.00029104434508395985	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001909469360767696	0.0	0.03056262210871303	0.0	0.0005232670451301345	0.0009513683520820486	0.0	0.0	0.0	0.0	0.04311743870357913	0.0	0.0007129264319618506	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07506091024335025	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014091738427836834	0.0018678070495270487	0.0	0.0	0.0	0.0	0.0	0.02206996981245763	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011710459803945602	0.05194282062918811	0.0	0.0008715643650459888	0.0	0.0	0.0	0.0	0.09245715648390597	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+delta-Hexachlorocyclohexane	0.0739028053272046	1.1969592448012991e-05	0.0	0.0	0.0	0.0	0.0002748281838831983	0.0	0.0	0.0	0.0	0.0	0.00014448894836132512	0.0	3.5874881068013065e-05	0.0023195513743742052	0.013855741408715077	0.0	0.0	0.0	0.0	0.0	0.014945017824078937	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020188481051846394	0.0	0.026815238173256872	0.0	0.0005280783292892047	0.0	0.0	0.0	0.0	0.0	0.03350384126321822	0.0	0.0007515658004079788	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02287024651188011	0.0	0.0	0.06442361124188833	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012435356113432755	0.00178668471573471	0.0	0.0	0.0	0.0	0.0	0.01992081560489233	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011560605900146823	0.04269295034150005	0.0	0.0005720914764391215	0.0	0.0	0.0	0.0	0.08018326256994988	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+epsilon-Hexachlorocyclohexane	0.050258938130635505	0.0	0.0	0.0	0.0	0.0	0.0003139589715409975	0.0	0.0	0.0	0.0	0.0	0.00012713508191903832	0.0	3.141795744041154e-05	0.002469499471190395	0.012000477050191874	0.0	0.0	0.0	0.0	0.0	0.01899691334863602	0.0003323692444829015	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001769814518256149	0.0	0.022178816152524882	0.0	0.00041394857131496634	0.0	0.0	0.0	0.0	0.0	0.03237708406441309	0.0	0.0006630108303068682	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0036550306488847876	0.0	0.0	0.08320689850540913	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011576958347053617	0.0015801102946657695	0.0	0.0	0.0	0.0	0.0	0.016397589511706945	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012701350811448821	0.03891590970772449	0.0	0.0006397881690474311	0.0	0.0	0.0	0.0	0.0731657787473208	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Pentachlorobenzene	0.01774119764014287	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005842263250013519	0.008775057506641766	0.0	0.0	0.0	0.002003535556108743	0.0	0.0	0.0	0.0	0.0034473539812860635	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002335791271221008	0.0	0.0	0.011255616009598613	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0038263020451327306	0.0007102498674098483	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0045983485404776725	0.0	0.0	0.0	0.003725971517084692	0.0	0.0003372555054738677	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Hexachlorobenzene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014924410369429455	0.0	0.0	0.0	0.0	0.0	0.0	0.0017479915143972752	0.0	0.0003307617705879416	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010218512653563465	0.0	0.0	0.0	0.0	0.030465684202713103	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008352192435442212	0.0	0.004436195428461387	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009087958298340394	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.24283207623964828	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014317128246406971	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0044263863334482725	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4'-Dichlorodiphenyldichloroethylene	0.013811019175720779	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000309132281855579	0.0	0.012776566901558734	0.1558214896760885	0.0	0.0018360348681680453	0.0013238387848385305	0.0	0.0	0.0008443849239972875	0.0	0.0	0.0	0.0	0.0	0.00506709411802779	0.0	0.0	0.0011184083506025674	0.00763594062869772	0.0	0.0	0.00725815699914331	0.0	0.0	0.0	0.005477817359119002	0.0	0.0	0.0007191892130834522	0.0	0.0	0.015579621393845331	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0022451849168592455	0.0	0.011276244547980575	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0088030067797325	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004464979593279778	0.001763010709549757	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003678484628638385	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00912444941585415	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011182906024527477	0.0	0.0	0.0	0.0	0.015375102545088235	0.0	0.0	0.0	0.0	0.006622621673837474	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008489734602233266	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4'-Dichlorodiphenyldichloroethane	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001491507145734744	0.0	0.0	0.0	0.0	0.009332760318915837	0.050105579582168575	0.0	0.09115962709985732	0.02128591894522691	0.0	0.0	0.0001938140679172012	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033082754750135405	0.00810621685595658	0.0	0.0	0.003861314638327988	0.03653906514129654	0.0	0.0	0.0	0.0	0.0	0.002376916809781276	0.0	0.0	0.014723110396783217	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007420325100636452	0.006373107750438681	0.04856184804954889	0.007871135710813316	0.01948422644702519	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005616229129737026	0.001100484050679636	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0090470628191062	0.0	0.009479094230876575	0.0	0.0	0.0	0.0	0.0	0.0029791623846513113	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007927592061222805	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0061973623661436515	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4'-Dichlorodiphenyltrichloroethane	0.004805211148273065	0.0	0.0	0.0	0.0	0.0	0.0	0.0010041829012231364	0.0	0.0	0.0	0.0006814894475488595	0.01005073760384057	0.06797167154581883	0.0	0.06181196890903936	0.021925306896462105	0.0	0.0	0.0002909129567026238	0.0	0.0	0.001755936376362827	0.0003248919811146127	0.0	0.0	0.0	0.0	0.010880864129093127	0.010375591290741013	0.0	0.0	0.0032107198824899586	0.036031119422915835	0.0	0.0	0.0	0.0	0.0	0.0026783012242885765	0.0	0.0	0.013336405888168708	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008361195360254385	0.00591422430420889	0.05092135623791925	0.011793220821958994	0.03491650191682504	0.0	0.0	0.0	0.0	0.0	0.0	0.009765268859469326	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0031958520186049174	0.0	0.0	0.010537566363128716	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005601669494531245	0.001036423598697605	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002691770452178261	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00753295995151241	0.0	0.0	0.0008999250337015895	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004627737225299216	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2,7,9-Tetrachlorodibenzo-p-dioxin	0.005910762159305638	3.146677493072284e-05	0.0	0.0	0.0	0.0	0.0020784342125486875	0.00019325023782410325	0.0	0.00025215255001036967	0.006643047096748665	0.04961480320488982	0.0011509778910694228	0.0	0.0	0.030680131234258317	0.017157258211357107	0.0	0.01413441849419171	0.0	0.0019135215032425508	0.0	0.006886927845747572	0.0	0.0	0.0	0.005525805897167849	0.0	0.0066743179092828364	0.019975221185918518	0.0	0.0	0.0057276323215623235	0.012145733826711693	0.00981981446117933	0.0	0.0008592709823733281	0.0	0.0006450280787014677	0.0	0.0	0.0	0.009092799429892337	0.0	0.0003792320536088453	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00555728687482483	0.0	0.0	0.0	0.0005439724274869869	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003788607714438198	0.0	0.006231399839434913	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000981145253445004	0.0	0.0	0.0	0.0	0.0	0.0	0.02603536894133624	0.0	0.009305644718968645	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002911726961336366	0.0	0.0	0.0	0.0	0.0	0.0	0.008403872901413652	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02364252279166691	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0043864693243216395	0.0641190059958363	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005756768433074816	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4,4'-Trichlorobiphenyl	0.012347720334269431	0.0	0.0	0.0	0.0	0.0	0.06057993621022442	0.0	0.0	0.0	0.0024982884117241326	0.0	0.0018502392845384005	0.0	0.0	0.005329199056750631	0.002183581693751176	0.0	0.0	0.0	0.00035961754430756463	0.0	0.10449308071801974	0.0	0.0	0.0	0.0	0.00799065443258491	0.0026250024044040493	0.009413384563996085	0.0	0.0	0.006484434005322074	0.0	0.0	0.0	0.00041552451597358196	0.0	0.0	0.0	0.0	0.0	0.01923050603183191	0.0	0.0010374966476879798	0.0	0.0	0.0	0.0	0.0	0.0	0.08866441298661976	0.0	0.0	0.14645722274700043	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013407733783182718	0.0	0.0	0.0	0.0	0.06952146769186857	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020127433722176933	0.0	0.0	0.0	0.0	0.0077928924437189245	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01041337237743993	0.0	0.0	0.0
+2,2',4,5,5'-Pentachlorobiphenyl	0.0028688686307341564	0.0	0.0	0.0	0.0	0.0	0.0010843101174291896	0.0	0.0	0.00022943852887255154	0.035110624886146594	0.007837656994769151	0.0002372547466564384	0.0	0.0	0.003199317174985093	0.004282101431273076	0.0	0.0	0.0	0.010083830627806429	0.0122978226290823	0.003647612246892644	0.0	0.0	0.0	0.00041312243401268395	0.0	0.03600139467971798	0.014321997043333022	0.0	0.0	0.010462077631535569	0.004407386690290163	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02658304762973123	0.0	0.0013907938023165556	0.0	0.0	0.0	0.0	0.0	0.0	0.06183718655632661	0.0	0.0	0.03027946387910522	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003366124687351132	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002651943877352616	0.004203401146093719	0.0	0.0	0.0	0.00537500411870753	0.005627486085301246	0.0013377255978588689	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016400295572999154	0.0	0.0	0.0	0.0	0.0	0.0	0.009751859146069011	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02207334907301999	0.0	0.0	0.0
+2,3',4,4',5-Pentachlorobiphenyl	0.005272531750660476	0.0	0.0	0.0	0.0	0.0	0.0008541072028870985	0.0	0.0	0.00017355337933227326	0.029881951278905524	0.0	0.00017529894449724813	0.0	1.3549130322003179e-05	0.002320191609568859	0.006682552617031985	0.0	0.0	0.0	0.0063885486444626525	0.016700562021873144	0.0020634410784824493	0.0	0.0	0.0	0.0	0.0	0.03076635167458817	0.01217385862381081	0.0	0.0	0.00701187893572897	0.003814363095791208	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021023762331323314	0.0	0.0013188451985341573	0.0	0.0	0.0	0.0	0.0	0.0	0.04013706332052374	0.0	0.0	0.02001775407376647	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0026244929167308965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034289857595538858	0.0	0.0	0.0	0.005629374025734671	0.0026888885853117053	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012879308192545407	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022628413838619257	0.0	0.0	0.0
+2,2',3,4,4',5'-Hexachlorobiphenyl	0.02230668752324663	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002852652334878661	0.003764578433598994	0.0	0.00022693306383298294	0.0	2.796875702447676e-05	0.009014743952757434	0.005580846692492096	0.0	0.00027480038793421796	0.0	0.008829852491765381	0.0073588255023368625	0.0038219052457988964	0.0	0.0	0.0	0.0005925800014369407	0.0	0.00019091749336124856	0.01254110866147038	0.0	0.0	0.007440906341643581	0.01870764495620074	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007677461979255875	0.0	0.003878410832925438	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005277280608094297	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0027263295900035005	0.0	0.0	0.0	0.0	0.0	0.0	0.003511381575795283	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00024375995712116888	0.004666952387311749	0.0	0.0	0.0	0.30013913665577774	0.0	0.0004133410590690281	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006346953087839069	0.0	0.0	0.0	0.0	0.0	0.0008797668872734728	0.0	0.0	0.0	0.01099665752598895	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0058087193009209205	0.0	0.0	0.0
+2,2',4,4',5,5'-Hexachlorobiphenyl	0.0302948343386089	0.0	0.0	0.0	0.0	0.0	0.0	9.303201818305504e-05	0.0	0.0003004054509234717	0.0038751399334001615	0.005489730059024417	0.0008152403785894926	0.0	2.8042621732375805e-05	0.00990847558731773	0.01472887219721716	0.0	0.0002700366431617989	0.0	0.016076612242312664	0.01116334522690129	0.004576484784760192	0.0	0.0	0.0	0.0005824185291904033	0.0	0.00026951910099824446	0.013107913934777254	0.0	0.0	0.007553414674009088	0.016216809419452284	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008282600378630859	0.0	0.004046101862071418	0.0	0.0	0.0	0.0	0.0	0.0	0.00248903263843806	0.0	0.0	0.0052435294458853645	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002911080731977052	0.0	0.0	0.0	0.0	0.0	0.0	0.006799194458051795	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002835079004085872	0.0047415771339479025	0.0	0.0	0.0	0.3089053900705137	0.0	0.00038364530018523307	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005872739936608629	0.0	0.0	0.0	0.0	0.0	0.0005549754177181276	0.0	0.0	0.0	0.02234995188475374	0.0	0.0	0.0	0.0	0.0	0.0	0.009274954699268182	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00820019567810399	0.0	0.0	0.0
+2,2',3,4,4',5,5'-Heptachlorobiphenyl	0.031147730496681337	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.981982294157336e-05	0.0	0.006550460333298445	0.0001817531468498137	0.0	2.7577314064323193e-05	0.010336742138865464	0.002834983286759117	0.0	0.0015277578409961705	0.0	0.01569776152907041	0.004074876602831062	0.009526908539283667	0.0	0.0	0.0	0.0005177037029174262	0.0	0.0	0.021922720806305706	0.0	0.0	0.016391468522076118	0.022282706598157263	0.0	0.01659246460183863	0.0	0.0018426831750219673	0.000970569387956603	0.016280131076774024	0.0	0.0	0.000908784000444583	0.0	0.0003610359146087434	0.0	0.0	0.0	0.0	0.0	0.0	0.007060694147293945	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029061084895180946	0.0	0.0	0.0	0.0	0.0	0.0015401456650046398	0.0040892008765005036	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0022109639087705183	0.0018297491012215948	0.0	0.0	0.032312121418821595	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013973622350713746	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026443247907848858	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',5,5'-Tetrachlorobiphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.000578072882667622	0.0	0.0	0.0	0.015366099630864246	0.008297779977219377	0.022718926630859677	0.0	0.0	0.006385007562453227	0.006878882493663121	0.0	0.0	0.0	0.0013525386971367447	0.0	0.0052236738405374485	0.0	0.0	0.0	0.0	0.004510543468205056	0.01674946481246939	0.014540389086061381	0.0	0.0	0.008477582005783333	0.0	0.0	0.0	0.0006061271832328316	0.0008843448759629214	0.0	0.0	0.0	0.0	0.04198076121486498	0.0	0.01985336825149781	0.0	0.0	0.0	0.0	0.0	0.0	0.005224386723273028	0.0	0.0	0.02093647803754828	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001098472299220429	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007573747928444582	0.0	0.0	0.0	0.0	0.0029478980573548314	0.008482178264603062	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012889942352717116	0.0	0.0	0.025731472250289822	0.0	0.0	0.0	0.03546345912941118	0.0	0.0004069850709778341	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0398885338860714	0.0	0.0	0.0
+2,3',4,6-Tetrachlorobiphenyl	0.0012973890830071991	0.0	0.0	0.0	0.0	0.0	0.0005630762058481699	0.0	0.0	6.0500724147697454e-05	0.015085037865183691	0.007171332871761951	0.017570783765354744	0.0	0.0	0.0020885346718200345	0.0	0.0	0.0	0.0	0.002959380961701842	0.0	0.005385734574018542	0.0	0.0	0.0	0.0005739030023706089	0.005038249335457149	0.016323038249291225	0.0127118266866858	0.0	0.0	0.006988653856163529	0.0	0.0	0.0	0.0003635006957123123	0.0	0.0	0.0	0.0	0.0	0.11361035923831861	0.0	0.01531036351441493	0.0	0.0	0.0	0.0	0.0	0.0	0.003033229540319018	0.0	0.0	0.015286247065337499	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002637901645331238	0.0	0.0	0.0	0.0	0.001028451109742066	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005437151686181171	0.0	0.0	0.0	0.0	0.0	0.0029721667536032996	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016647937910299233	0.0	0.0	0.0	0.0	0.0	0.0	0.007709577544338547	0.0	0.0	0.03141536910977102	0.0	0.0	0.0	0.025174593225450553	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03550602230459281	0.0	0.0	0.0
+2,3',5',6-Tetrachlorobiphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.0005518892322919211	0.0	0.0	0.0	0.015195053230753252	0.0	0.011505657968547722	0.0	0.0	0.0056324707601728054	0.0	0.0	0.0	0.0	0.0011906706619156848	0.0	0.0010430168983816728	0.0	0.0	0.0	0.0	0.0	0.016561552641615813	0.012968372615710756	0.0	0.0	0.00662708694802423	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03874282970241186	0.0	0.016414142693583204	0.0	0.0	0.0	0.0	0.0	0.0	0.0030660967890797854	0.0	0.0	0.013149780565280536	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005206406962728929	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004332100337716698	0.0	0.0	0.0	0.0	0.0	0.002470343205856666	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010803304391258347	0.0	0.0	0.023778825710229934	0.0	0.0	0.0	0.022846327535591692	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.039399885416040344	0.0	0.0	0.0
+2,2',3,4',5-Pentachlorobiphenyl	0.0034153209846922213	0.0	0.0	0.0	0.0	0.0	0.001145277583336777	0.0	0.0	0.0002564794591724098	0.039106141047551626	0.00772069918695798	0.0012377189172929999	0.0	1.7422011665853996e-05	0.003523938996815343	0.01024856992473418	0.0	0.0	0.0	0.011583534031229532	0.011708367914487773	0.004233856307853588	0.0	0.0	0.0	0.0	0.0	0.04017052164118	0.013933795675092378	0.0	0.0	0.007435783370664461	0.004622276392212563	0.0	0.0	0.00030004748269029166	0.0007175486874226129	0.0	0.0	0.0	0.0	0.030694010967087695	0.0	0.0014708065606248162	0.0	0.0	0.0	0.0	0.0	0.0	0.06502173196404794	0.0	0.0	0.03132709489507717	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005496763446303225	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00029767107062427846	0.004019615253572601	0.0	0.0	0.0	0.005437764107428793	0.005952891676221905	0.0017054084524843573	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034617848261329844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018083940343097796	0.0	0.0	0.0	0.0	0.0	0.0	0.009122372694625402	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02678326572798589	0.0	0.0	0.0
+2,3,3',4,5-Pentachlorobiphenyl	0.002798310062105794	0.0	0.0	0.0	0.0	0.0	0.0009593123763167423	0.0	0.0	0.00021459193558519342	0.0345032681304937	0.0	0.00018349555979935538	0.0	1.4839284246737148e-05	0.002665214260532247	0.004380677039627799	0.0	0.0	0.0	0.008095634761632628	0.014970756743813955	0.0032539040693731385	0.0	0.0	0.0	0.0	0.0	0.03530660726787882	0.01011090752635922	0.0	0.0	0.0047226957369094465	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.029383799807817832	0.0	0.0014589061369266495	0.0	0.0	0.0	0.0	0.0	0.0	0.04761979498436791	0.0	0.0	0.02192221322617425	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002702023285867746	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0035751789206953165	0.0	0.0	0.0	0.010334936284534189	0.0033030352580030566	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011479312482082926	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01950023257204721	0.0	0.0	0.0
+3,3',4,5,5'-Pentachlorobiphenyl	0.005063648676598845	0.0	0.0	0.0	0.0	0.0	0.0008204353628537148	0.0	0.0	0.00021811635239205344	0.029009126959693574	0.0	0.00015680431022276078	0.0	1.4969935168016667e-05	0.00256683622190622	0.0065076346765495655	0.0	0.0	0.0	0.008662527826628602	0.016523773434274535	0.0020270516107914888	0.0	0.0	0.0	0.0	0.0	0.02981324611136231	0.011118767656556354	0.0	0.0	0.00586235214944116	0.0036340372804181766	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022908717746533747	0.0	0.0014084743330134352	0.0	0.0	0.0	0.0	0.0	0.0	0.041210843872896336	0.0	0.0	0.020483449318040525	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002921419297604258	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033943992888028377	0.0	0.0	0.0	0.009300099220483048	0.003582445186547901	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012402225803393186	0.0	0.0	0.0	0.0	0.0	0.0	0.007450728536126961	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020310840758694458	0.0	0.0	0.0
+2,3',4,4',5',6-Hexachlorobiphenyl	0.013025308688943145	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00031073567383742404	0.003599377018202522	0.005744346292392992	0.0007611234867428848	0.0	2.425643034008288e-05	0.005659754673017961	0.008399838726127408	0.0	0.00024943456573099177	0.0	0.008252944192729332	0.00288025759700581	0.0043984542072235105	0.0	0.0	0.0	0.0004932273919859864	0.0	0.000306945341907944	0.011117947178678776	0.0	0.0	0.011957641435555956	0.014507126028719727	0.0	0.0	0.0	0.0	0.0	0.007788583956862697	0.0	0.0	0.0008578564728691791	0.0	0.003471577523403271	0.0	0.0	0.0	0.0	0.0	0.0	0.002267632293617561	0.0	0.0	0.004686621502055121	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0030215482383553127	0.0	0.0	0.0	0.0	0.0	0.0	0.00605407166873256	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004223776407100562	0.00087537099226368	0.0	0.0	0.2638969973707253	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005873432659459298	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02418776056315506	0.0	0.0	0.0	0.0	0.0	0.0	0.007513209656523302	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009338899754433616	0.0	0.0	0.0
+2,3,3',4,5,6-Hexachlorobiphenyl	0.009847880896196764	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003136969718753179	0.002819479545235747	0.008231172579984227	0.0001717925494171102	0.0	1.1438391475847562e-05	0.005730075096867736	0.0014916890121793095	0.0	0.0	0.0	0.02349384266854266	0.002133134975440209	0.0028576837539435657	0.0	0.0	0.0	0.0004814018457280077	0.0	0.00031608064427768323	0.00523177417039039	0.0	0.0	0.0004989847313791272	0.007456606582959452	0.0005403514857893315	0.0	0.0	0.003745856280293061	0.0	0.0	0.0	0.0	0.0007921542142166536	0.0	0.004382397616048382	0.0	0.0	0.0	0.0	0.0	0.0	0.0024687667738722595	0.0	0.0	0.00892748331325485	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0028292949685174607	0.0	0.0	0.0	0.0	0.0	0.0	0.0066727583002690475	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00029994643005094244	0.0037451614621139893	0.0	0.0	0.0	0.28957911772534334	0.0	0.00040584393392501504	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0049386215813335905	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020652249846568025	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0044771389700234655	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009616843939959065	0.0	0.0	0.0
+2,3,3',4',5',6-Hexachlorobiphenyl	0.012067867952301269	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003429087333211457	0.0033909471662028705	0.005844681450931428	0.0002259873840796938	0.0	2.593552156545481e-05	0.00638273764477114	0.008695277770147065	0.0	0.00031470676656721665	0.0	0.013636202610111595	0.0022146038380248256	0.004255311648501047	0.0	0.0	0.0	0.0004896750717036719	0.0	0.0003110011341891324	0.013050864728412366	0.0	0.0	0.00666258592892809	0.015404677602859662	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008469270833704707	0.0	0.003591879720737347	0.0	0.0	0.0	0.0	0.0	0.0	0.0022264784815347743	0.0	0.0	0.005284286129625425	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029817223194026324	0.0	0.0	0.0	0.0	0.0	0.0	0.006412907454368633	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004193968960697881	0.0	0.0	0.0	0.2587657249259442	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0055444457305277774	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02166725159889759	0.0	0.0	0.0	0.0	0.0	0.0	0.007420077431358286	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009462298393759387	0.0	0.0	0.0
+2,3,3',4',5,6-Hexachlorobiphenyl	0.006370445715307522	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00034446647075851564	0.0	0.0	0.0001061465388996527	0.0	2.3403964983806372e-05	0.005722840165520723	0.006263684915687199	0.0	0.00031172480353655835	0.0	0.006725664373724196	0.0	0.003705387293467688	0.0	0.0	0.0	0.0	0.0	0.0	0.007847719557593277	0.0	0.0	0.00504115524452821	0.009482465388033906	0.0	0.0	0.0	0.0	0.0	0.007818565007135372	0.0	0.0	0.0	0.0	0.004026688681585152	0.0	0.0	0.0	0.0	0.0	0.0	0.0015655778137159493	0.0	0.0	0.0038379485456243915	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017325651197079579	0.0	0.0	0.0	0.0	0.0	0.0	0.006838191271224174	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00445417614264998	0.0008787406088553036	0.0	0.0	0.2724915332159142	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005152239387284412	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02401485691222182	0.0	0.0	0.0	0.0	0.0	0.0	0.006130424132736977	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+trans-Fenvalerate	0.0009026953307986462	3.1857579264641906e-05	0.0	0.0	0.0	0.0	0.00014378971176144038	0.00041994216135970026	0.0	0.00014730549166766657	0.029867084948493317	0.0	0.016614991355664164	0.007761459804358286	0.0	0.2815012587842042	0.0003815268101579661	0.0	0.0	0.0010039142141688748	0.0	0.0	0.0010058125960023998	0.00041636725722065087	0.0	0.01842890583372227	0.0009630638848384415	0.0	0.011344229261701344	0.0	0.0	0.0	0.010012694596962407	0.04586414995612906	0.0	0.0	0.01748475925334339	0.017616130029032548	0.00048473414416880673	0.24745410343639407	0.0	0.0	0.018196548241037978	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017873813053853504	0.0	0.0	0.0	0.027953619598551308	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00303126131735146	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007755529613136127	0.0	0.0	0.0	0.0	0.0	0.0	0.0096920046498089	0.03348965495015659	0.027343062986318997	0.02242567043232927	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01645280228069985	0.0	0.0	0.0	0.0	0.0	0.0	0.00186760291029577	0.015977081472044588	0.0	0.006702623551075839	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.6398503673797634	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+1,2,3,4,6,7,8-Heptachlorodibenzofuran	0.0080824554735463	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.023962409920258325	0.0	0.0	2.4884268699726122e-05	0.0	0.0016839916105885417	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005441567811289483	0.05052478982949788	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00010129241935514712	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001359911758504674	0.0	0.06562427201103854	0.0034281966659840744	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019628377180987852	0.0	0.0	0.00701484109788577	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002534619243386572	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011821109156391917	0.0	0.0	0.0019516905966347614	0.0	0.070265148124734	0.0	0.006526045649197426	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,7,8-Tetrachlorodibenzofuran	0.009248295452105025	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010846242546263407	0.0006171064402500943	0.0	0.0	0.021625328377553668	0.016870364014682806	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012213304904867442	0.0	0.0	0.005603198689090614	0.0	0.0	0.012394768492197165	0.0	0.005186367569377748	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020097182916431833	0.0	0.00021042472757833275	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028926635504971175	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011653392089634005	0.010121550247880974	0.0	0.0	0.0	0.16622934606446974	0.03540088842618178	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005055689030925685	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007141191253012043	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,7,8-Tetrachlorodibenzo-p-dioxin	0.009876802335325674	0.0	0.0	0.0	0.0	0.0	0.0001154274809307152	0.00011662388234797487	0.0	0.0	0.00027874309437768343	0.05823305407694716	0.0003633001612408516	0.0	0.0	0.0006628188672883853	0.012080478390423432	0.0	0.012730693962023667	0.0	0.0011172720596939678	0.0	0.003114125455329355	0.0	0.0	0.0	0.0	0.0	0.0001058732572391874	0.023372334630660914	0.0	0.0	0.0	0.0	0.018259590059448164	0.0	0.000493246527402643	0.0037205539629055298	0.0	0.0	0.0	0.0	8.976497826674074e-05	0.0	0.00019535974825429266	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005183710457552755	0.0	0.0	0.0	0.008242734524252393	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015701659920300108	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0018341647941319656	0.0009250783894733863	0.0	0.0	0.0	0.0	0.009029749498863798	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017893334708427963	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005971586167505446	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03384809399004122	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2,3,7,8-Pentachlorodibenzo-p-dioxin	0.003634742477678596	0.0	0.0	0.0	0.0	0.0	0.0	0.00012432173605692834	0.0	0.0	0.0	0.03379968221715216	0.0019233782316478772	0.0	2.2753524236946934e-05	0.007500506826098426	0.0064608644401718	0.0	0.013570993716757542	0.0	0.0017599018972966677	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004467700475438639	0.0	0.0	0.0	0.0	0.012737517342678676	0.0	0.011305057984084621	0.02615801373042263	0.0	0.0	0.0	0.0	0.0	0.0	0.0002562925137724543	0.0	0.0	0.0	0.0	0.0	0.0	0.0012844393567289654	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011709143418320665	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006236895376762514	0.0010257281108639322	0.0	0.0	0.0	0.0	0.0	0.008517712701760704	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008045837818686962	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,4,5-Tetrabromo-6-chlorotoluene	0.022934414921591536	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016499284455384435	0.000429935173470694	0.008179095488852869	0.0	0.001350575755722857	0.002335075574465857	0.0	0.00825282670451197	0.0	0.0	0.01070671700155271	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05429510731584732	0.0	0.00934533438881601	0.03288580193210993	0.0007625809961241474	0.0038701900603103916	0.0	0.0	0.0	0.0	0.0033124878163697516	0.0	0.0004919092211507661	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005182359788713972	0.0	0.0	0.0005917985532709252	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0018120232842767493	0.0	0.0	0.0	0.018480922083570512	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010487690616320775	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002412416183382213	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,4,5,6-Pentabromotoluene	0.010150245505486823	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.032112682641999124	0.0	0.012641410964081482	0.0	0.0	0.012784984442726395	0.0	0.01950474672834669	0.0	0.0	0.024468911017067198	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05594193904536546	0.0	0.0	0.1350710579626696	0.0	0.006697928606010726	0.0	0.0	0.0	0.0	0.0	0.0	0.0005502450340547031	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0025792142831920204	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0946950162488941	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019963778701371778	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.032682863992618404	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,4,5,6-Pentabromoethylbenzene	0.04343503372716242	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02912263754510142	0.0	0.003007083460730176	0.0	0.017206418740940883	0.005348800794730284	0.0	0.013762504370899145	0.0	0.0	0.007681871771482662	0.002074970814898598	0.0	0.0	0.0	0.0	0.0	0.0	0.021377858661269223	0.0	0.0	0.023137872746476527	0.0	0.0	0.02428391162910723	0.0	0.0038733218403365936	0.0	0.0	0.0	0.0	0.0001308998564287089	0.0	0.0014591090596925724	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0045672346636185185	0.00045508598063684406	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007371362152084365	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0071749872418714515	0.041084091692047194	0.0006854912402068462	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0024393162328501783	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003660059665869462	0.0	0.0	0.012339637174687383	0.017012328973400062	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02287385842821587	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,5,6-Tetrabromo-p-xylene	0.023965403576984404	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0049992644057516	0.0009776746625753058	0.0	0.0	0.0	0.001940499108261808	0.0	0.0013014879140087765	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013073454294893632	0.0	0.0	0.015540799092754815	0.0	0.0	0.0	0.0	0.0023955233255645598	0.0	0.0	0.0	0.0	0.0005266399420275654	0.0	0.0016721343759921832	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004619695870797416	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007837813852981646	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03134103357912419	0.00019784088010281226	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0250362712920834	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004437232191983021	0.0	0.0	0.005874426662368231	0.01969567299160482	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Allyl 2,4,6-tribromophenyl ether	0.021157410852109586	0.0025433936220348044	0.0	4.637697863417301e-06	0.003901030422250191	0.0	0.003566793527012253	0.00015978077717763558	0.0	0.0004010118454488136	0.00020372894336634402	0.017067654076577794	0.003234461867270302	0.21690244635153905	1.1999305101184117e-05	0.023926546384659627	0.005883651615637174	0.0	0.0	0.0	0.010572300506002268	0.06571493640420595	0.008532373696468068	0.0011245067720496824	0.0	0.0	0.0005235531879046683	0.0	7.738109844926679e-05	0.011521274470975338	0.0	0.0	0.015511706051564043	0.0034404924986262933	0.009440136212590605	0.0	0.009931427761190138	0.006638642727107011	0.0	0.0	0.0	0.0	0.044155901773987115	0.0	0.0002614248052046148	0.0	0.0	0.0	0.0	0.0	0.0	0.0022195361313549797	0.0	0.0	0.0011403000797369917	0.0	0.008363440840068338	0.0	0.011587443571502416	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006146748314097786	0.0	0.0	0.0	0.011196993155925745	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008956733621261043	0.024420460162799487	0.002815997284053845	0.010669854556482845	0.0	0.0	0.0046891619307662235	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004825818245530518	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006522892011134457	0.0	0.003679875845590495	0.007065835765304232	0.00535660874785792	0.015714895647135924	0.0	0.0	0.0	0.0	0.0	0.02288840190963615	0.0	0.00043962830764309406	0.022581559264595912	0.012827651746770965	0.007086387401451803	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005622611793458493	0.0	0.0	0.0	0.0	0.011512003398290735	0.0	0.0	0.0	0.0	0.0	0.0005799179400975547	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-Bromoallyl(2,4,6-tribromophenyl) ether	0.022767504325713124	0.002953956965370217	0.0	0.0	0.0	0.0	9.089493726332647e-05	8.848919390266587e-05	0.0	0.0	0.0	0.022801157736404714	0.0005620018189042438	0.0296605008106286	1.0374487759683191e-05	0.0010718385720112438	0.013659809176325076	0.0	0.0	0.0	0.005267072640479347	0.11311229152083695	0.004770347959896969	0.0	0.0	0.0	0.0004105172892834645	0.0	0.0	0.0	0.0	0.0	0.0015489252721658752	0.0	0.006647826141492076	0.0	0.009337374647054489	0.002998329674085918	0.0	0.0	0.0	0.0	0.006705885659545784	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005830522970540551	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003585079268751228	0.0	0.0	0.0016866786690242338	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018344871430389518	0.0013320468913078124	0.005926753137952631	0.0	0.0	0.07790344796992109	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014248016138737109	0.0	0.0	0.0	0.006399449867898055	0.0	0.0	0.0	0.0	0.0	0.0	0.005402789287643571	0.0	0.0	0.0	0.008100673468224353	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012281525347698856	0.0	0.0	0.0	0.0	0.051849929756512314	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Pentabromobenzene	0.006584172293187269	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012984589387552148	0.0	0.009374159611670006	0.0	0.07914093938618491	0.0	0.0	0.009568992054598196	0.0	0.0	0.0	0.016023599771901948	0.0	0.0	0.0	0.0	0.0	0.000336788946573557	0.0035067195392186018	0.0	0.0	0.0	0.0	0.0	0.010077637536154805	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014230139244713073	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006858800705306668	0.0	0.0015726040702610056	0.001166461956578656	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006356879326463543	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005161919408948977	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01024689995587239	0.0	0.0	0.0
+Hexabromobenzene	0.031003328887381398	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00245330230328646	0.0	0.0035062034218761246	0.0	0.016033864010285555	0.0	0.0	0.04884183718238881	0.0	0.0	0.0	0.006018755892477353	0.0	0.0	0.0	0.0	0.0	0.0	0.0035056065914693835	0.0	0.0	0.0	0.0	0.0	0.03215504058331817	0.0	0.0003860215160804293	0.0	0.0	0.0	0.0	0.0	0.0	0.0001918163253530823	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018876073872926762	0.0	0.03392947733344389	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010672289636345754	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019984079759577545	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026225631195069966	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0064883070133907395	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3,4,5,6-Pentabromobenzyl alcohol	0.024425949832356957	0.0	0.0	3.5930641562187128e-06	0.0	0.0	0.004813794900125753	0.00015415163292839936	0.0	8.012354461100952e-05	0.0023398949414630043	0.03737178544783193	0.0010056367357782093	0.06283047239894295	3.5247798756836515e-05	0.025099442313838864	0.016944414754144252	0.0	0.02469423926660496	0.000263319460781438	0.0	0.07003350703850979	0.014683540147177446	0.002158740168474173	0.0	0.0005266010984902207	0.0012893170727486145	0.0	0.003788121607761582	0.0499927953017042	0.0	0.0	0.03180144649606371	0.015660776594130506	0.0005431524635392942	0.18423443680035378	0.00043201157116519906	0.004365658985267958	0.0010380963467562301	0.008345075118046254	0.0	0.0	0.038776910622614784	0.0	0.0014498716029099112	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0032236072697436413	0.014785897733354883	0.00026219833963882406	0.004956304026360655	0.0011907323776455124	0.0002559242880709588	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016975958180806484	0.0	0.0	0.0	0.004213709887908497	0.0	0.004270648402069431	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0113068168947491	0.0	0.0	0.0	0.04103215918929576	0.002298674657573036	0.0006105044158240535	0.0	0.0140577082655617	0.03041027751114368	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010556194775620824	0.0	0.0	0.010045492660557804	0.00893189244548131	0.0	0.0	0.0	0.0	0.0	0.0	0.004279685462342752	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013476725764839714	0.0	0.007183794511639725	0.004603420451239057	0.0	0.018632788762370317	0.0	0.0	0.0	0.0	0.0	0.0	0.03076194856515047	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014017986658129632	0.015681074606298653	0.0	0.0	0.0	0.0	0.0	0.0005051762442055346	0.0	0.0	0.0	0.006881300529099644	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	0.02151379027499435	1.0926356289896393e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00037335424887288904	0.0024313121653770603	0.05017096768823407	0.0013081868672834163	0.00636468286869797	1.2717115157978802e-05	0.05724576104626061	0.0006565031494853705	0.0	0.0	0.0	0.0	0.0	0.018254849671652425	0.0012014187377837428	0.0	0.0	0.00036853192245654747	0.0	0.0024427570800116065	0.012404534978094371	0.0	0.0	0.007230315034391396	0.0	0.0	0.0	0.013597301450168691	0.0	0.0005129733825910398	0.0	0.0	0.0	0.01734622959275569	0.0	0.002825416965846846	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005598571572582525	0.00035968324935027244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007333441426089943	0.0	0.0	0.0	0.00043946136876625954	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0222117465432025	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015308519217992484	0.0	0.0	0.0	0.0	0.0	0.0	0.009133889104323419	0.0	0.0	0.0	0.0	0.0	0.0015217018622553948	0.008827242016515925	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005402947459117645	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+syn-Dechlorane plus	0.05860473759397054	0.0	0.0	0.0	0.0	0.0	0.0	0.00020041278792291194	0.0	0.0	0.0023863122370387613	0.015268155979688431	0.0006707576505630778	0.0	2.460717592004532e-05	0.00624800815713686	0.007294894410793034	0.0	0.0015055361414485569	0.00036323116292052656	0.0076686792730345215	0.009291562435571131	0.00875341098617687	0.0005869558158500087	0.0	0.0	0.0	0.0	0.009721253026249616	0.0	0.0	0.0	0.0	0.004881069639013265	0.012413123526111116	0.0	0.0	0.001462848530825187	0.0	0.0	0.0	0.0	0.024100228680972356	0.0	0.0003051927192674663	0.0	0.0	0.0	0.0	0.0	0.0	0.0008269779821653882	0.0	0.0	0.0	0.0014132988173812346	0.007876874186089984	0.00857519463563657	0.0004431653756354043	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0059968255096158	0.0	0.0	0.0	0.004413852110284322	0.0	0.004119703374662669	0.0005775197226729641	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02504250151875068	0.0	0.0	0.0	0.040117017016695636	0.006102283978734135	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007580790092332382	0.0	0.0	0.0	0.0053167196150211106	0.00848994402749211	0.00048798759835091667	0.042521818833679	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013522524334592606	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+anti-Dechlorane plus	0.049537210102118194	0.0	0.0	0.0	0.0	0.0	0.0	0.000233839404700759	0.0	0.0	0.0025409001002600867	0.01229019646591821	0.0006763763838580381	0.0	2.121513096771404e-05	0.005222921929912122	0.008284686618690085	0.0	0.0015928139515529107	0.000408046973636986	0.00829665801047374	0.010519123562151319	0.0042738895126775405	0.000372091446609339	0.0	0.0	0.0	0.0	0.011216213228930376	0.0	0.0	0.0	0.0	0.0014129785592108376	0.013184189800531126	0.0	0.012647184001853606	0.0014654342519110014	0.0	0.0	0.0	0.0	0.02128155035350382	0.0	0.0003535118495016806	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005740159085426668	0.0014286857465107188	0.011436717149983944	0.009243069145156548	0.010733884422603923	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01105991692155137	0.0	0.0	0.0	0.0030771517123079554	0.0	0.00564412038601223	0.008723127641680381	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01698007726080787	0.0	0.0	0.0	0.037975720170073606	0.003658627990523149	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007359155315141063	0.0	0.0	0.0	0.0	0.011551426065977699	0.00043326264346285723	0.040738883283602506	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018526274424665368	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	0.047745508040002875	0.0	0.0	0.0	0.0	0.0	0.011731947150700273	0.0	0.0	0.0	0.0	0.0	0.016780686277575355	0.0013730163742681897	1.9179411947159328e-05	0.0	0.0072564567808371455	0.0	0.0	0.0	5.773127885153987e-05	0.0	0.02173823531706298	0.0004558328452455971	0.0	0.0	0.0	0.0	0.009802211120352292	0.0	0.0	0.0	0.0036787997147275458	0.0013935832169872523	0.0	0.0	0.0	0.0017056501734825393	0.0	0.0	0.0	0.0	0.0018504750674567672	0.0	0.00016296482691823	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11316164871728084	0.0	0.03710696541153248	0.001990835957788944	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0028600253795186656	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12179999313698674	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2982350748695147	0.0	0.0	0.0
+beta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	0.048779255207690636	0.0	0.0	0.0	0.0	0.0	0.012032412863582155	0.0	0.0	0.0	0.0	0.0	0.01728652011908183	0.0014292515390416565	2.1384788210218554e-05	0.0	0.0	0.0	0.0	0.0	5.885030479238436e-05	0.0	0.02234572949650631	0.0003940348809043279	0.0	0.0	0.0	0.0	0.009558428913519445	0.0	0.0	0.0	0.0033113823075837973	0.0015214328269249925	0.0	0.0	0.0	0.0019113131549877583	0.0	0.0	0.0	0.0	0.001957905314229773	0.0	0.0003318076071631366	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11245518564363251	0.0	0.036441377210814224	0.0008296551404384755	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008845012664110242	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029956538817375307	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11961526481494647	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2908179315521571	0.0	0.0	0.0
+1,2,5,6-Tetrabromocyclooctane	0.02151833518551073	0.0	0.0	0.0	0.0	0.0	0.008884460914237816	0.0	0.0	0.0	0.0	0.0	0.007497883272980741	0.0006164611678041724	3.47422680880458e-05	0.0	0.010473211388156106	0.0	0.0	0.0	0.0	0.0	0.017126266479637435	0.0006289207163865309	0.0	0.0	0.0	0.0	0.007327097098573717	0.001794404499598944	0.0	0.0	0.0048734751833613065	0.005673298039263335	0.0	0.0	0.0	0.006525121359466207	0.0	0.0	0.0	0.0	0.004050685440132016	0.0	0.0001938323168052901	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12878575285011812	0.0	0.025423425164551317	0.0019235538155592698	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008473657662274793	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08344991233367367	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.22292902335394715	0.0	0.0	0.0
+1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	0.07544311775615496	2.1554097337214637e-05	0.0	0.0	0.0	0.0	0.004476156327391039	0.000624833083013267	0.0	0.0	0.004839973262384626	0.018179557377094212	0.0041903901710843875	0.007765103314863915	4.679776726607526e-05	0.02280305302309935	0.02880796128824614	0.0	0.0025504785045147404	0.0010529026669397882	0.012288758985971942	0.003441411497248599	0.012613158131340325	0.0009239533406561167	0.0	0.0	0.0	0.006937644664703275	0.01780653498562764	0.013481410229969968	0.0	0.0	0.006403350734139846	0.00956797220954505	0.012289289109410052	0.0	0.0048789519391474806	0.011285077910601718	0.0	0.0005584710530534413	0.0	0.0	0.03261032134289625	0.0	0.0006481123545395594	0.0	0.0	0.0	0.0	0.0	0.0	0.0008020437932937167	0.0	0.001743450488421871	0.012869720849892291	0.0046171631611049355	0.010168046140982363	0.011104369881906438	0.035706864051668	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006256973913024701	0.0	0.0	0.0	0.025565861648646354	0.0	0.12971824728657946	0.02350279687592657	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011946834549748219	0.0	0.00024755181298880143	0.0065992671888791396	0.0	0.002657845975641211	0.015172504534455511	0.004004272845364846	0.021806028859633085	0.0007122072610941132	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002835279555758159	0.0	0.0	0.0	0.01382868485253975	0.018530404163654243	0.0028553015987740887	0.018124631305674637	0.0	0.0	0.013300111105372148	0.0	0.0	0.0	0.0	0.0	0.010933132133829631	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.4257874890609336	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-Amylcinnamaldehyde	0.0	0.0003344864727485005	0.0	0.0	0.0	0.0	0.0	0.004254629120888808	0.0	0.0	0.0	0.0	0.0008662849653517208	0.0	1.3685951013767946e-05	0.03328005746082279	0.0	0.0	0.0	0.0004231770221645741	0.017283272546958318	0.0	0.005424911360762597	0.0011481245172412589	0.0	0.0	0.0	0.005959635030386489	0.0005040573622505858	0.0	0.0	0.0	0.004713422755756396	0.07235994333154376	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002448119042202232	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00045427618356365634	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03402026397651376	0.0	0.0025864509567609228	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03692306195580555	0.03351878395068443	0.0009144216080615772	0.0	0.005050544718817244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08464977074596425	0.0	0.0	0.00398638972588733	0.0	0.0	0.007119761752719298	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.041274886347303114	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0729665305661007	0.0	0.0	0.0	0.008489772884654294	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015336089309197698	0.0	0.0	0.0
+trans-Cinnamaldehyde	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2.042724010611074e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013164756569389398	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04127914375463015	0.0	0.0	0.0	0.0	0.05103393080769637	0.0	0.0	0.0	0.0	7.838600354091287e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16354709925325475	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08113304929586665	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011692030022979845	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Citral (Geranial)	0.0	0.0	0.0	1.3937089546568794e-05	0.0	0.0	0.0	0.0001817120136640522	0.0	0.0	0.0	0.0	5.2595074213360074e-05	0.0	0.0	0.012156539085767627	0.008879988654142856	0.0	0.0	0.0	0.0	0.0	0.0	0.008174891535609645	0.0	0.0	0.0018823038552561466	0.0	0.0	0.004349038125047038	0.0	0.0	0.018768070598487473	0.0	0.0	0.0	0.0016757240312735332	0.0	0.013483204621364098	0.0	0.0	0.0	0.004531169978350825	0.0	0.00028731814350641205	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.026034634050984305	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013104436129488526	0.0	0.01104472601918435	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017203096394847624	0.2566208267622904	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003761725876650092	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01245273679459439	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03625323543483464	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1-Fluronaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002245049222424726	0.0	0.0	0.0	0.0	0.01830993635627784	0.0	0.0	0.0	0.0	0.0	0.0	0.16322097605321362	0.0	0.0	0.0	0.0	0.0	0.0016188652334291553	0.009038974167504153	0.0	0.0	0.05999100771780435	0.01394977322804013	0.0	0.0	0.0	0.0	0.0	0.0005504548045915661	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017184251406983787	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028342193452321054	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015498095599106037	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08182567725730706	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004192404396075477	0.0	0.04809627629316328	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-Hexylcinnamaldehyde	0.0	0.00032110670238614603	0.0	4.061817158494713e-06	0.0	0.0	0.0	0.007109623175492086	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.032705302099716414	0.006744495545930207	0.0	0.0	0.00017522782921417803	0.0025530987445119995	0.0	0.005036403477632926	0.0026772199474907696	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007087386645360067	0.06120924562360029	0.0	0.0	0.0004883720234691663	0.0	0.0003632204427341487	0.0	0.0	0.0	0.002468673067367272	0.0	5.084208134826162e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003701011814925612	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.025406571900692673	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03219631999278882	0.027067287008222436	0.0	0.0	0.004123382168190981	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0699844827716367	0.0	0.0	0.0036138958999577314	0.0	0.0	0.006923097027213236	0.0	0.0	0.0	0.0	0.013398740642002988	0.0	0.00044476933134661776	0.039659375642332594	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.060325324644223376	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Lilial	0.0	0.0007662294693904869	0.0	0.0	0.0	0.0	0.0	0.0013878185967495875	0.0	0.0	0.0	0.0	0.0	0.0	8.519065548391862e-05	0.021886964718208095	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008693809287907342	0.0	0.0	0.01504055058814937	0.025259190390125242	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009095257715872709	0.0	0.03377777678773108	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.030710385465982072	0.0004594393075448576	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13615654116472295	0.0	0.002707925428538805	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013147677764280676	0.016686043371458126	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1430585555171885	0.0	0.0	0.0016179874529256566	0.21349587333593734	0.0	0.0007176654935114618	0.0	0.0	0.0	0.0	0.0	0.0	0.008460410199458597	0.02331702718318223	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.170123335069098	0.0	0.0	0.0	0.008888500985019698	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+alpha-Amylcinnamyl alcohol	0.0	0.0001142246649706857	0.0	0.0	0.0	0.0	0.0	0.004689303232451949	0.0	0.0	0.0	0.0	0.0	0.0	0.000580585993379069	0.02658220784377351	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010136119467006085	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012344441114821083	0.04184358443182029	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010654863304736051	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008337966060634338	0.0006073119586253893	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06304547437279864	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.09417643982008767	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2293394517123256	0.0	0.0	0.003135966868151542	0.00793771776606573	0.0	0.001459982466269134	0.0	0.0	0.0	0.0	0.0	0.0	0.033833062976898226	0.02201893318704245	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.19768634889277584	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Eugenol	0.0007453523786324014	0.0	0.0	0.0	0.0	0.0	0.0	0.0003164301688327391	0.0	0.0	0.0	0.0	0.0007678617935700028	0.0	0.0003139742357208372	0.0010519615672910404	0.015253393850787026	0.0	0.0	0.0	0.0	0.0	0.0005245942718148155	0.0017238924245399133	0.0	0.0	0.01101168739705108	0.0	0.0013478596575063652	0.07602860148357837	0.0	0.0	0.0529011954036798	0.0	0.0	0.0	0.0	0.016621255749711506	0.0004717488398735575	0.0009684049291994952	0.0	0.0	0.2822612161029908	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0030231934807934333	0.0	0.0	0.007549038184039337	0.0	0.006990128848325965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.19372738945228243	0.0	0.009879728960892228	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17065900989282626	0.05914841862977445	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00028812597428450244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004861434950412406	0.03574619505645153	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017561055934213234	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03242924626916468	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Isoeugenol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000294125719199606	0.0	0.0	0.0021292065406192003	0.0	0.00011907800911040831	0.0	0.00025903777086827177	0.00774337085265015	0.0	0.0	0.0	0.0	0.0	0.0	0.010829376008780617	0.0013589951036210323	0.0	0.0	0.008404531456360723	0.03863398582252424	0.0053638663788614085	0.09220873088325268	0.0	0.0	0.055674742463638044	0.0	0.0	0.0	0.0	0.017321759723683057	0.0	0.0023168245838988345	0.0	0.0	0.21003282916565458	0.0	0.00023524381995916266	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007232727516138057	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11144752571056081	0.0	0.009079457822860904	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11481096479480447	0.006335241916412965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03814543133617049	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.029802434347496454	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4-Methoxybenzyl alcohol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00028719364383097225	0.0	0.0	0.001968770161876457	0.06637249041815786	0.0	0.0	0.0	0.0	0.0	0.0	0.0033108600892548154	0.0	0.0	0.016215087437958343	0.0	0.0	0.0	0.0	0.0	0.016807332837045604	0.0	0.0	0.0	0.0	0.0	0.03981836906328796	0.0	0.0	0.0	0.02751618462561273	0.0	0.00017164977176742523	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.22400850075479775	0.01628312251649222	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02319802090707652	0.0	0.02901672027058031	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014349386054900035	0.3316368489450632	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004376969038241449	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.09524455289238339	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Methyleugenol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011721341942227434	0.0	0.0	0.0	0.0	0.0	0.0	2.729973964633462e-05	0.008939696794950294	0.10846748668463198	0.0	0.0	0.0	0.0	0.0	0.0038009935140844355	0.0011432554340419791	0.0	0.0	0.0016700951276122226	0.0	0.024379778340962277	0.004420130438508155	0.0	0.0	0.05130514849022045	0.011736961528313864	0.0	0.0	0.0	0.0036428073046786114	0.0	0.012727036094570052	0.0	0.0	0.03423506294470319	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03973161576400922	0.0646789878217206	0.0	0.0	0.017114310790760725	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03847248924128276	0.0	0.08777196864578282	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.034535200397754685	0.006772903479567919	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004218951497553759	0.0	0.0	0.0	0.0	0.0	0.004057186563538506	0.2707562964523283	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00715294586482201	0.009719173179004713	0.0109218278670257	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2881029224597714	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Cinnamyl alcohol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0026278057210971585	0.0	0.0	0.0	0.0	0.0	0.0	0.00015142191612179783	0.002552346837705329	0.006974928756919873	0.0	0.0	0.0	0.0	0.0	0.0	0.001166050260439173	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.023519112651461525	0.04304720805253516	0.0	0.0	0.0	0.002709108847297464	0.0	0.0	0.0	0.0	0.003891612823968301	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04385958023071166	0.0	0.004566292108805121	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01934488554254304	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007443821426901343	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08656562675967916	0.0	0.00628348191083623	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01498840827714483	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzyl alcohol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017134287601534492	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011286571210320402	0.0	0.0	0.0	0.0006268073422181805	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004186859532486877	0.0	0.0651654060583381	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019198033497030295	0.0	0.0	0.0	0.030259355016034613	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2138990866714136	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Estragole	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0023329995185996473	0.0	0.0	0.0	0.0	0.00016611283506672264	0.0	0.00016180760672886995	0.027826352724235528	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012954679773010612	0.0	0.0	0.0	0.0	0.0	0.0288490632456813	0.040143506750944295	0.0	0.0	0.0	0.0022541013348860457	0.0	0.0	0.0	0.0	0.07411242155930105	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17038486433911618	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06050321393132443	0.0	0.0027213172230262784	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022506183650133117	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003874914005217154	0.4344771431592112	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008923255860292145	0.03660262794120781	0.006291830875149169	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008932458243679262	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzyl benzoate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008295440001768536	0.00044153130229381075	0.0	0.0	0.0	0.0	0.0	0.0	0.00046024211436885166	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020325797711237218	0.0	0.0	0.002161652367272693	0.0	0.0	0.0	0.0	0.0	0.0029351224606935433	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1336434996222028	0.0	0.004869868728929843	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.046344888212083546	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02666443652057173	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01598486891028109	0.0	0.0	0.0	0.0	0.0	0.0	0.0006161677860243398	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Benzyl cinnamate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015603773240795225	0.0	0.0	0.0	0.0	0.0063197803584198395	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008049418364071142	0.0	0.0	0.000909096771277215	0.0	0.0	0.0	0.0063022527000237165	0.0	0.0	0.0	0.0	0.044718892294541665	0.018254401468948286	0.0	0.0	0.07460469207581258	0.0239214650267284	0.0	0.0	0.0	0.0	0.0034506930360349124	0.0	0.0012850368235224354	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021474681786981087	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04963388498044161	0.0	0.0021020559770118857	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07216420584406322	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0070446511427313145	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009581842977391355	0.02633762495344778	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010942766196091662	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006899793629959241	0.0	0.0	0.0	0.0	0.0	0.0	0.019922433650557566	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+trans-Chlordane	0.1709889053423956	0.0	0.0	0.0	0.0	0.0	0.0	9.791095167193875e-05	0.0	0.0	0.0	0.01650820800104277	0.0015999005459602577	0.0	4.5734216891839e-05	0.0005187952415918618	0.020259723421642725	0.0	0.012549531306477419	0.0	0.0049013853503377305	0.0	0.00136270779824111	0.0	0.0	0.0	0.0	0.014779178223313235	0.00022346910452940302	0.008544742885518956	0.0	0.0	0.0066466481894084965	0.0037321054487469466	0.009210115793594053	0.0	0.0	0.0010300923426366786	0.004387416177260295	0.0	0.0	0.0	0.0021117757746199626	0.0	0.00046150508247077985	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004877273712755943	0.0	0.0005371719505993161	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0027968250204676477	0.004240683376953131	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002987429431853241	0.000607038583936623	0.0	0.0	0.0	0.0	0.015878069631575273	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010302433984155186	0.0	0.0	0.002385950653875271	0.0	0.007482534910706013	0.0	0.009242783584578466	0.0	0.0	0.002220512587183182	0.007181111768890468	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+cis-Chlordane	0.16934374734008048	0.0	0.0	0.0	0.0	0.0	0.0	0.00011760085504163596	0.0	0.0	0.0002624472703620503	0.022172309517528965	0.0017017053928314034	0.0	5.5765296069896436e-05	0.0018331275152667402	0.029092943238435573	0.0	0.014903585570129347	0.0	0.006076187472994966	0.0	0.0	0.0	0.0	0.0	0.0	0.01806499452617641	0.0003381651711831641	0.010063544913862254	0.0	0.0	0.007894724532838519	0.005452894416943796	0.010390313080814234	0.0	0.0	0.0075361209094746695	0.004266011641003248	0.0	0.0	0.0	0.0013072041216458624	0.0	0.00021519926767952848	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005096151651208404	0.006945696502920347	0.0004686763680167174	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002740840194702319	0.005871358551204622	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0035008719044216908	0.0006358824623011523	0.0	0.0	0.0	0.0	0.016806676835339658	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0010693616909300048	0.0	0.0	0.0034991417552110156	0.0	0.008571861044456227	0.0	0.009227895066097013	0.0	0.0	0.0027134736728255844	0.01205652282411966	0.0	0.0	0.0	0.0	0.005622476470287244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Endrin aldehyde	0.13060671456068035	0.000432632754568158	0.0	0.0	0.0	0.0	0.00016844878813073756	0.0002578464037109825	0.0	0.0	0.0005515801049739771	0.023150591676337446	0.0005303490824067694	0.03500988317184959	8.37392192589696e-05	0.011640480418148786	0.04644378863838638	0.0	0.020490413228088786	0.00042917145414455714	0.03432117368269934	0.0032537070665578124	0.0037090605543262664	0.0004177420308510526	0.0	0.0	0.0006777121122722036	0.008566327509924388	0.019145186064623877	0.010589151300837573	0.0	0.0	0.023617669564027163	0.02288821171882279	0.01873632552072431	0.0	0.011750054420521643	0.006576987927297531	0.0	0.0011428528119419453	0.0	0.0	0.10187616623668908	0.0	0.0011323903875408033	0.0	0.0	0.0	0.0	0.0002553373952464166	0.0	0.0	0.0	0.0	0.044325765473999815	0.0	0.02449643492070771	0.011022838897624246	0.17548665082325812	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008032590881622959	0.0	0.006137430502233004	0.14985284901925108	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.050536092088187476	0.0	0.0128175357238056	0.01360133629384388	0.0	0.0	0.0	0.038878483568800096	0.028504336421029234	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006926348481361672	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011506031359347214	0.0	0.020673756121826623	0.0013558704929059473	0.0	0.0	0.002395265596483368	0.03877340334601918	0.06622608612735574	0.011129560293672656	0.010752790529657079	0.0	0.0	0.0	0.023170367120437213	0.0	0.0	0.0	0.003386797825641142	0.011816644758455801	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006670199252053336	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Endrin	0.1105302405414288	0.00034050123496310626	0.0	0.0	0.0	0.0	0.0	0.0001901588341422756	0.0	0.0	0.0003936034447370769	0.024101491241643895	0.0005395866289263355	0.01977432360497296	6.056441671710984e-05	0.0030518717248350005	0.06059579361371252	0.0	0.0010617667848280632	0.00025254576197869115	0.026068295867005542	0.0	0.002182700178551099	0.000673068449540219	0.0	0.0	0.0007816788817378243	0.009416729789927736	0.02125121085942466	0.013350979150318909	0.0	0.0	0.02091180120807492	0.002020765749881281	0.015817539702327497	0.0	0.010964488904297482	0.011229353228912161	0.0	0.0	0.0	0.0	0.09460559965194311	0.0	0.0006387774825888444	0.0	0.0	0.0	0.0	0.0	0.0	0.0011069018251332393	0.0	0.0	0.03051572160390227	0.0	0.020328907242700783	0.013987582838216026	0.1625620699648709	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009021933749161442	0.0	0.00694835061199424	0.092868246528288	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0053959692195537385	0.001582224021085326	0.0	0.0	0.0	0.04543940169895349	0.010842419053745646	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007124050431470689	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004712842482150946	0.0	0.022656897688363858	0.0010551056247729853	0.0	0.0	0.006672879040544341	0.06672386680536327	0.04814892313382618	0.011561396500467645	0.007858400570800377	0.0	0.0	0.0	0.02020812697224213	0.0	0.0	0.0	0.0	0.008432269474951348	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007409308260557525	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4,4'-Dichlorodiphenyldichloroethylene	0.011118247728854147	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003423611119739232	0.0	0.01204166049488528	0.1258322904537813	0.0	0.0031779870533873897	0.0014469199011632383	0.0	0.0	0.00064034641583928	0.0	0.0	0.004848511073481979	0.0	0.0	0.004895210238917703	0.0	0.006108557374564283	0.0008670847643777223	0.008667258171141492	0.0	0.0	0.0023778503139065643	0.0	0.0	0.0	0.011759231066392043	0.0016940012862730345	0.0	0.0005295512683694859	0.0	0.0	0.014428617171272843	0.0	0.00032892149755987126	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016531678990976354	0.0	0.011563564976593915	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014920886233202993	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00034590713640113654	0.0017498233494337692	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00048009613908223917	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007662995873572059	0.0	0.002117394043039619	0.0	0.0	0.0	0.0215067683679216	0.0	0.0	0.025814527692702035	0.0	0.0	0.0	0.0	0.02307207624820473	0.0	0.0	0.0	0.0	0.0073344915866692196	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Methoxychlor	0.0	0.0	0.0	0.0	0.0	0.0	7.547941336850558e-05	0.0007029784189121593	0.0	0.00011483216873965738	0.0076904618617404516	0.0	0.09686245904861432	0.0	0.0	0.04314034170059225	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0001476135447885443	0.0	0.005577979051469166	0.0	0.0	0.007726663169314711	0.0	0.0	0.0	0.001755002982607367	0.005791747587495687	0.0	0.0	0.0	0.0	0.0	0.04448421716063816	0.0	0.0	0.0	0.0	0.00018959844541521556	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008123356153011128	0.0	0.0	0.0	0.010947739570070204	0.0	0.0	0.0	0.0	0.0	0.014994708377375543	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009576079176411002	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.052861252801319446	0.020371467786499956	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.024139921714142032	0.008636555767463867	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007692407782342093	0.0	0.00241725459198918	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018762622816947686	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014667602928847496	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4,4'-Dichlorodiphenyldichloroethane	0.0030076103012569885	0.0	0.0	0.0	0.0	0.0	0.0	0.0008184427907035731	0.0	0.0	0.0	0.0	0.002056254228651673	0.04153251835913369	2.954433612574843e-05	0.04731634122173203	0.023269178951524094	0.0	0.0	0.00015105418811008826	0.0	0.0	0.001793221804621332	0.00034872733497447346	0.0	0.0	0.0	0.0	0.0032299835896724732	0.012585083256870912	0.0	0.0	0.009121519069990749	0.027674773369957006	0.0	0.0	0.0	0.0	0.0	0.0023206659625522106	0.0	0.0	0.01050929346596775	0.0	0.0005662110280054225	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007244719639011436	0.006769700359687297	0.05345418342665361	0.008186639467511336	0.022482525026044996	0.0	0.0	0.0	0.0	0.0	0.0	0.010721021902234342	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0023960327960540306	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008274669162222744	0.0024938792883178423	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007599030085488755	0.0	0.0	0.0009880031093386634	0.0	0.0	0.017521138398013437	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+4,4'-Dichlorodiphenyltrichloroethane	0.004692861948896155	0.0	0.0	0.0	0.0	0.0	0.0	0.0007778299057791523	0.0	0.0	0.0	0.0005616090687378324	0.0027787754846136286	0.058853394768522076	0.0	0.04819480055504425	0.02318070409968179	0.0	0.0	0.00025069195222991253	0.0	0.0	0.0018151602898401479	0.0	0.0	0.0	0.0	0.0	0.0033374825929043802	0.008750197606048669	0.0	0.0	0.0029053124590725774	0.027207412492037786	0.0	0.0	0.0006588509163521834	0.0	0.0	0.0023979014254834246	0.0	0.0	0.010195564026853112	0.0	0.00028012915900955997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007485835458416365	0.0053622481389019	0.05363591603172288	0.010252051247322331	0.03139579452266143	0.0	0.0	0.0	0.0	0.0	0.0	0.011567009790542634	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004947321093378786	0.0	0.0	0.008880620888124113	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005156463831389377	0.002176464742514637	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0002744435055673475	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006109565072101107	0.0	0.0	0.0010659657020591622	0.0	0.0	0.015394934254469571	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006350440545726909	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(4-tert-butylphenyl) phosphate	0.0	0.0	0.0	0.0	0.0016334060239588139	0.12426514943875824	0.0	0.0003956685744836462	0.0	0.00020609328917288293	0.0	0.0	0.000805757125290338	0.0	0.0	0.0014616638335050666	0.02549870952040803	0.189695375366971	0.0	0.0	0.0	0.0	0.0	0.0	0.2957673370199088	0.0	0.0006213980052385483	0.0	0.0	0.0	0.0	0.0	0.0020343725806423415	0.005931899042912217	0.0	0.0	0.0	0.0	0.0	0.017309424677496316	0.0	0.0	0.001355558864712045	0.0	0.01944471897029605	0.0	0.0	0.0	0.0	0.00040279355668247895	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0024524024511025067	0.0	0.008885798992055244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0018293574257111673	0.007429386224620146	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0643879627215991	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016815259060311756	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04327042935639109	0.0	0.0	0.0	0.0	0.012341356867974117	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tri-n-butyl-phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00247777514943351	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009411179364371817	0.0	0.0	0.0	0.0	0.0	0.02062881570692081	0.0	0.0	0.0	0.0	0.002016267457945074	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08312940823216429	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013364527190112422	0.0	0.0	0.0	0.0	0.05308202465635862	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(1,3-dichloro-2-propyl)phosphate	0.032939583762398826	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004493069707426499	0.001079487367443505	0.0	0.0	0.0018863989576458492	0.02632838672587722	0.0	0.0	0.0	3.9622905939946976e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0004620548953535482	0.0	0.008822118683394027	0.0	0.0	0.0	0.00723267196455484	0.0	0.0	0.412163952235192	0.01786289838377969	0.0	0.0	0.0	0.0	0.0	0.0	8.492104956855528e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033704736349627683	0.0	0.018383902930884745	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05556479630972045	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016214303537538256	0.0012816034073793205	0.0	0.0	0.0	0.0013059505538675449	0.008894567688397609	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tri-o-cresyl phosphate	0.0	0.0	0.0	0.0	0.012109305950233379	0.0	0.0021310706562003836	5.1172643247905195e-05	0.0	0.00010010429039833895	0.0	0.0	0.0016506529093779734	0.004826263378977631	0.0	0.012299348649154912	0.006020741952380407	0.0	0.0	0.0003686367370167852	0.00017611026226217727	0.0	0.0016454329850900064	0.0001768510943416989	0.0	0.0	0.0014449192059979438	0.0	0.00038889818674612365	0.0021867262693352077	0.0	0.0	0.041457380551750155	0.10328400812572494	0.0	0.0	0.0	0.0	0.00038095142261344026	0.2746775393355937	0.0	0.0	0.0023221587674521005	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010440701032659448	0.0	0.0	0.0	0.0	0.0	0.01025325459681435	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0035390221425354177	0.0	0.029611787258124075	0.0	0.0	0.0	0.009633252111216907	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021487195003457225	0.0	0.06463572447521572	0.00665276304543606	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020491485324236106	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017677409737168515	0.0	0.003865660949438027	0.0	0.003045986163814095	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00045303278450196054	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04780253940324748	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003934198920877562	0.0	0.0	0.0	0.11912646015664646	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011832338481267099	0.0	0.0	0.0
+Tri-m-cresyl phosphate	0.0	0.0	0.0	0.0	0.006968229350017091	0.0	0.0	0.0	0.0	0.00040462805283600584	0.0	0.0	0.0	0.0	0.0	0.009621566975718782	0.009676396165918989	0.0	0.0	0.0022622873837911386	0.002885208413610164	0.0	0.0	0.012291144145421724	0.0	0.0	0.0037110279529649075	0.0	0.0	0.0	0.0	0.0	0.006895612474725483	0.04482240696072667	0.0	0.0	0.0007509059783335077	0.0	0.0	0.033757457768659495	0.0	0.0	0.0007914260848044336	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006008040400459877	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009530997136010756	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014280834073599593	0.0	0.008917024249871274	0.0	0.0	0.0	0.015482338311718547	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0460853773216253	0.007133412750204685	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03446113009328269	0.0	0.013223700081304366	0.0	0.0009658048713602288	0.0	0.005149647208945886	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028556329585708536	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.052486092276413585	0.008110795544094548	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006340580932554175	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tri-p-cresyl-phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004666033278166468	0.0	0.0	0.0	0.0	0.0	0.005946350273578861	0.009158148788052965	0.0	0.0	0.0035921287435580354	0.0024485480682832866	0.0	0.0	0.010820853961324603	0.0	0.0	0.004262885752766212	0.0	0.0	0.0	0.0	0.0	0.003278845687733353	0.041905824070615987	0.0	0.0	0.0006062645137683137	0.0	0.0004671348120928879	0.04341237082983265	0.0	0.0	0.0006599618921846929	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015361379486759817	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001407046521050683	0.0	0.025724712811156698	0.0	0.0	0.0	0.01465313691321206	0.0	0.007336198793535808	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04038983673431216	0.008198166208309758	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.033161098484487624	0.0	0.0038173598851102245	0.0	0.001009299759338264	0.0	0.004157708756213022	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03075961009778056	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.10850160289647716	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Isodecyl diphenyl phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03649231850926125	0.0	0.0	0.013446125691128314	0.06520110320166875	0.0	0.0	0.0	0.0	0.0	0.005510951769351632	0.0007683442653971714	0.0	0.4122773057565717	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011787848290443958	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008677281100954339	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11252976076423966	0.0	0.008435195208456684	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001350734085134488	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(isopropylphenyl)phosphate	0.01733682431935821	0.0	0.0	0.0	0.011900822904909946	0.0	0.00028769823505261064	0.0012446828957711606	0.0002355094234317107	0.00012721242057550685	0.0	0.0	0.006491796404861695	0.0035308013777180266	0.0	0.04261827516997292	0.03524494245198734	0.0	0.006704213537407247	0.2520159660977677	0.0	0.0	0.00039484757646297207	0.0005634033980502557	0.0	0.18207675907106227	0.001371115647612071	0.0	0.0003726990687634849	0.0013078728291398348	0.0	0.0	0.0163064450927038	0.010161799166679376	0.0	0.0	0.005059150968136369	0.0	0.0	0.007439041165574108	0.0	0.0	0.020547470326919236	0.012366572371392014	0.0	0.0	0.0	0.0	0.0	0.11995167595915297	0.0	0.010260945962009969	0.0	0.01786181589100143	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006083172121124587	0.0	0.0	0.0	0.0027751238527600067	0.0	0.02233792341331633	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02013030071701744	0.0	0.0008059896499933245	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014005356003130227	0.0	0.0	0.0	0.0	0.0012696928350013118	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034644983390978083	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004252822919717031	0.49189510336864195	0.0	0.0	0.0	0.0	0.0	0.0	0.020202034111700594	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04494709545887259	0.023628291098764544	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(3,5-xylenyl)phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007044478140254384	0.0	0.0	0.0002832205132578819	0.017255180717532327	0.0	0.01039368614530655	0.0	0.0	0.0	0.0	0.0	0.0	0.0011201473649682008	0.0	0.0	0.028219850554559053	0.002035141349922368	0.0	0.0	0.0	0.0	0.0	0.013537886376592584	0.0010346070906223793	0.0	0.0	0.03310390049720925	0.0	0.0	0.01139814534425507	0.0	0.0	0.004077602542442653	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0025071951101365364	0.0	0.0	0.0	0.0	0.0	0.0	0.06013266056367986	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007368697241257192	0.0	0.10598560335138614	0.0	0.0	0.0	0.0	0.01790528964845304	0.0	0.0	0.004816230209514116	0.0	0.0	0.0	0.0	0.0	0.0	0.03290117830888909	0.0	0.02654340351662002	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009976579317185102	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05756111981021594	0.028001472658755584	0.0	0.0	0.0	0.0	0.0	0.0	0.01972096025128215	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(2-butoxyethyl) phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02607566935397843	0.0	0.007309237762564281	0.0	0.0	0.0450480867338696	0.0	0.0	0.0	0.0	0.0004579735419869076	0.0	0.001622574630001803	0.002778765236081446	0.0	0.0	0.0031963526550442237	0.0	0.009904159438859916	0.0	0.0	0.0	0.01681602969406159	0.0038028673441786124	0.08190774313427894	0.0	0.0	0.0	0.0	0.012323872024601869	0.0	0.0	0.0	0.0	0.004055388718998769	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011087316224719114	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034132145926588776	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018223169253269483	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0307993304460042	0.0	0.0013850990298693293	0.08633455125827726	0.0	0.0	0.0	0.01151489611038757	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0021876709977648313	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003840416793510265	0.06874140394468171	0.5586258801148255	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008342150525801997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(2-chloroethyl) phosphate	0.03505847365096222	0.0	0.0	0.0	0.0	0.0	0.004986670728283548	0.0	0.0	0.0	0.008711940675310063	0.0	0.07289725313517811	0.0	0.0	0.11496649652551237	0.018756730039866838	0.0	0.0	0.0	0.0	0.0	0.007314319831028013	0.0	0.0	0.12463212830535526	0.0	0.0	0.0033090022848059762	0.03677131311651516	0.0	0.0	0.0	0.0	0.0	0.0	0.0003551011664716488	0.0	0.0	0.0	0.0	0.0	4.7548703202415994e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004145548481597353	0.0	0.0	0.0	0.0	0.0	0.0	0.000797447688804734	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02767699662380916	0.0	0.0	0.0	0.0	0.0	0.0	0.0005246957453609188	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.18663818217616354	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(1-chloro-2-propyl) phosphate	0.013867098455157306	8.497606104771808e-05	0.0	0.0	0.0	0.0	0.0	0.003735937356974809	0.0	0.0	0.025251815316448278	0.0	0.06795961720357079	0.0	2.2699721529647516e-05	0.0024758312956042533	0.0	0.0	0.0	0.006652594094146234	0.0	0.0	0.0	0.0	0.0	0.0	0.0007503996465135645	0.0	0.00959124007977155	0.030473125297967297	0.0	0.0	0.001517729865517464	0.016260601651873426	0.0	0.0	0.0	0.006734634300249442	0.0	0.0	0.0	0.0	0.18286563173415651	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007844271731527915	0.0	0.0	0.011092233433176694	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.047558386112022656	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013519141516981146	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003384863756618661	0.0	0.0	0.0	0.0	0.0	0.0	0.10566593958628613	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.5409762397334477	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tris(2-ethylhexyl) phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04178759188963638	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0814419524658027	0.0	0.0	0.0	0.0	0.0	0.0	0.0421033314177758	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triphenyl phosphate	0.005152242720121872	0.0	0.0	0.0	0.0	0.0	0.007794024879451712	0.0002516171346736942	0.0	0.0	0.0	0.0	0.021203616106887466	0.0	0.0	0.018125037675149433	0.0	0.0	0.0008246380570121177	0.0	0.0	0.0	0.005607691327656828	0.0004409100962742758	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005321712318465621	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009379516016170439	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05521619756057176	0.0	0.0	0.0	0.0	0.0	0.010979433566661388	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.058914455134686905	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020850975934478284	0.001976670583799482	0.0	0.0028153787235358028	0.0	0.0	0.012704899713491664	0.0	0.01857154794878472	0.0	0.022080427632120814	0.0	0.0	0.0	0.0	0.010877568068845742	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014498329504234936	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2-Benzanthraquinone	0.006202188855057551	0.0	0.0	0.0	0.0	0.0	0.00033069864692091683	0.003620457799590287	0.0	0.0	0.0	0.0	0.08451830447494528	0.012048595084677611	0.0	0.17069287568870645	0.0	0.0	0.0	0.0016698720152779677	0.005869186642444286	0.0	0.0	0.0026160492379953826	0.0	0.0	0.0	0.0	0.0005236782288906886	0.0075141242088177535	0.0	0.0	0.036897636936393446	0.0	0.0	0.0	0.0	0.0	0.0	0.0003762502834385852	0.0	0.0	0.008700433108011989	0.0	0.006766559686149426	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011745886144739848	0.10519534969553827	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.039056291024206935	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02668586526193655	0.03783942109371338	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03370281685636301	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.034300185995478565	0.08410105636869177	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,4-Chrysenequinone	0.006440956110775448	5.133936878452022e-05	0.0	0.0	0.0	0.0	0.0006680711107095081	0.003173615187216819	0.0	0.0	0.0005299945915896598	0.0	0.09040699517498581	0.01317080284985256	1.52677063173331e-05	0.15027318608906962	0.014250347039185837	0.0	0.0	0.0024660714208726733	0.005796637389945484	0.0	0.00732313660860568	0.0020395472128487357	0.0	0.004309357990483579	0.002439406716857291	0.0	0.01355101029180178	0.01603401231317012	0.0	0.0	0.039439294572838846	0.00033830130684442026	0.0	0.0	0.0004888583396041649	0.00040457149796199645	0.0	0.012940932130000216	0.0	0.0	0.003496551560545858	0.0	0.01861234449027837	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002500162379690465	0.12328116841364632	0.0	0.006001141463787202	0.008235618903194297	0.00799399733289504	0.0	0.0	0.0	0.0	0.0	0.013428748046545045	0.0	0.0	0.0	0.0	0.0	0.0008926622374130238	0.0	0.013323290229849656	0.0	0.036931056366767814	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014649767201506624	0.0014963524148098627	0.018812852151986626	0.010908707337493134	0.007426553959076511	0.0	0.0	0.0	0.0002797145675905688	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03008360438803796	0.025723036382655162	0.002405827456636401	0.0	0.011672053620843817	0.0	0.0	0.0	0.0	0.022910994913138933	0.0	0.0015900692305967313	0.0	0.0	0.0	0.0	0.0	0.0	0.0009268589708645923	0.024561009988835883	0.07163560447738197	0.011354212663296379	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Hydroxychrysene	0.00023317993692992484	0.0	0.0	0.0	0.0	0.0	0.008586358573764816	0.0	0.0	0.0	0.0	0.0	0.000353916963122248	0.0	0.0	0.002789501739601052	0.0	0.0	0.008167975450337943	0.0	0.0005898832037673239	0.0	0.014600335555291192	0.0028542973269423226	0.0	0.0	0.0009595386106798699	0.0	0.0008799742435885169	0.0	0.0	0.0	0.007083269946556993	0.0	0.0	0.0	0.03017832885294056	0.0	0.0004953006049079296	0.0011426756803206183	0.0	0.0	0.0015789356873033471	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019737458433949557	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008447303014429908	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009780750102941074	0.0	0.0	0.0	0.0	0.0	0.009605558770410957	0.0	0.0	0.0	0.0	0.0029665494178681318	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017603284378815417	0.0	0.20696032716784896	0.0	0.0	0.008595189313631273	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005695534185949423	0.0	0.0	0.0	0.02772744787327298	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1-Nitronaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005553396146144288	0.0	0.0	0.001108080383837899	0.0	7.029961122656513e-05	0.0	3.4738725924296265e-05	0.07562589469412423	0.0	0.0	0.0	0.0005058597047755075	0.032171080625410256	0.0	0.004013288890934953	0.0	0.0	0.0	0.0	0.0	0.00042087528583151115	0.016162878039770307	0.0	0.0	0.020494960452790215	0.06140937207715556	0.0	0.0	0.0	0.023163919977732202	0.0	0.0	0.0	0.0	0.00012333376829787377	0.0	6.098868350998802e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004012635124918296	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001200455280481516	0.0	0.0	0.2838237121808693	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005661408404015434	0.007742061116227135	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0316444013711529	0.0	0.0	0.010379041076984057	0.0	0.0	0.012885035653575039	0.0	0.0	0.0	0.0	0.007666977403101996	0.0	0.0	0.04057931259798205	0.05841583544212514	0.023738695688169446	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027276886393744537	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Hydroxyfluoren-9-one	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005796116519404491	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006869457210947078	0.0	0.0	0.014651577481757485	0.0015809227183684593	0.0	0.0	0.029780873299935257	0.021308036668901097	0.0	0.0	0.0	0.0	0.0	0.0	6.832532109187819e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015418785926257252	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000978437397017353	0.0008407706417555277	0.06520964341312055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16146903540814592	0.0	0.0	0.0	0.0	0.102215029936486	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,4-Naphthoquinone	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00034114831216402466	0.0	0.0	0.0	0.0	0.0	0.0037690879957261577	1.549100935616937e-05	0.0076581105719417016	0.0	0.0	0.0	0.0	0.10249128809584054	0.0	0.0	0.0	0.0	0.0	0.0	0.28853645863862665	0.0	0.013421599346071067	0.0	0.0	0.024808461134192567	0.008385283480721052	0.0	0.0	0.0	0.035717200375339674	0.0	0.0	0.0	0.0	0.0	0.0	5.822817607040978e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.10092205906510333	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000484583547087858	0.2374499719747145	0.0	0.0	0.00696511846672065	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.3179280680086068	0.0	0.0	0.09737660460398052	0.0	0.0	0.005276824792695886	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005381673945114316	0.008673409237281625	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2740480911849054	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-Methylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00228220615511461	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016867626314148825	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033450389808033264	0.0	0.0	0.008228918496906925	0.01023655703421877	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014280169662066315	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06628831187555555	0.0	0.0	0.0	0.0	0.009095440961753107	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1-Methylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0023985063384414666	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020592467613127574	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006348503275441318	0.013060249055279182	0.0	0.0	0.0	0.007104410542737576	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013967525146617431	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06727776534226461	0.0	0.0	0.0	0.0	0.009211019487327722	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,6-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001168602861915911	0.0	0.0	0.0	0.0	0.0005363286239184035	0.0	0.0	0.07788201787316246	0.0	0.0	0.0	0.0	0.6264160291669295	0.0	0.0	0.00039602136235846006	0.0	0.0	0.0	0.0	0.0	0.003392728651015059	0.0	0.0	0.0	0.020804459516903823	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00017745795701448746	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013984896418855745	0.00015445600088261158	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06353175018446489	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016861075687756445	0.0	0.0	0.06010080062323116	0.0	0.0	0.0	0.0	0.007541060902369567	0.0	0.0008212629567318723	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,3-Dimethylnaphthalene	0.0	0.0	0.0	3.385272728012021e-06	0.0	0.0	0.0	0.0014132884156481064	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05602268299989084	0.0	0.0	0.0	0.0	0.446722538468553	0.0	0.0	0.0	0.0	0.0	0.00041568875915040285	0.0	0.0	0.02452371064628972	0.0	0.0	0.015836809220588006	0.01865796914546446	0.0	0.0	0.0004070277975749428	0.0	0.0	0.0	0.0	0.0	0.0006840223096060416	0.0	0.002890565972667821	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010242389732151538	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029925920890668746	0.0	0.04691619317356656	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018693121842588742	0.0	0.0	0.04862417302740064	0.0	0.0	0.0	0.0	0.012848640115440105	0.0	0.0	0.0	0.0	0.009506483835749494	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,4-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015738017998558848	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05676720900787049	0.0	0.0	0.0	0.0	0.35178982634765554	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007011778102512419	0.014394400479182057	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00033886593559069215	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00916986762826052	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04876743525218527	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016093013968452457	0.0	0.0	0.06383575830768977	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,5-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011856271292717037	0.0	0.0	0.0	0.0	0.0010296052193815807	0.0	0.0	0.08818884427725357	0.0	0.0	0.0	0.0	0.6803608761410861	0.0	0.0005627247453625291	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00037878597447169987	0.02150970750819062	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00019695905588061046	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017850457537438497	0.000321411701375063	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008669551712893153	0.0	0.0	0.0	0.009655891566170452	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015782399783023618	0.0	0.0	0.0	0.0790049440152623	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015219316484842801	0.0	0.0	0.05321590516607585	0.0	0.0	0.0	0.0	0.008559537129674307	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,2-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016763066266632333	0.0	0.0	0.0	0.0	0.0009905857932351264	0.0	3.2781525520715225e-05	0.06294368223743242	0.0	0.0	0.0	0.0	0.3854030106775385	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007987927201829883	0.0	0.0	0.009124419762229014	0.018552733978972454	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012803239662334846	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011328209186295705	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04562360745701597	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012376924978880207	0.0	0.0	0.072718796336937	0.0	0.0	0.0	0.0	0.018117754079372723	0.0	0.0	0.0	0.007358635889888202	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+1,8-Dimethylnaphthalene	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001444644457728169	0.0	0.0	0.0	0.0	0.0010053404362863644	0.0	0.0	0.09248867512562865	0.0	0.0	0.0	0.0	0.5599802688346774	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00471849226161679	0.0	0.0	0.0004518243320210296	0.020718349144438406	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00011994441761032282	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017726969706709603	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08264566508228136	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.022064585296815292	0.0	0.0	0.06432100216632967	0.0	0.0	0.0	0.0	0.007583125089588583	0.0	0.00045769136988079844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+7,12-Dimethylbenz[a]anthracene	0.0	0.0	0.0	0.0	0.0	0.0	0.00023925146819338172	0.0	0.0	0.0	0.001240657261633919	0.0	0.006435434552476432	0.0	6.0684868365402795e-05	0.016302029949828753	0.0029149482450833287	0.0	0.0	0.0	0.00025282119853355773	0.0	0.00174340244379705	0.0023946632312714534	0.0	0.00994573179433877	0.007742303897450169	0.0	0.00047123113740230477	0.0	0.0	0.0	0.05488148771508007	0.0	0.0	0.0	0.0	0.017348682674788243	0.0	0.0009197024782101121	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17462314825429734	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020970680051228523	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008328244969580996	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01966258637114922	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.3335349540290574	0.05749783587644888	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00945639029570024	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.4654851292350189	0.0	0.0031357675641153896	0.011640407230558722	0.02657892479355875	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.292263810539374	0.0	0.08248293081186396	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2284760273276565	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,4-D butyl ester	0.1014184670220602	3.848285954654796e-05	0.0	0.0	0.0	0.0	0.008713076663012907	0.0	0.0	0.0	0.006850017942466474	0.016138216395913178	0.0	0.035139706116705846	0.00014964805615401492	0.0036527490775246016	0.05035086729199821	0.0	0.004493838488882222	0.00012690774663396851	0.017341512047674666	0.0	0.016023660733314595	0.0	0.0	0.0	0.0	0.0	0.021727281065539256	0.017712154638152844	0.0	0.0	0.0003809006663959404	0.0	0.025079198007030228	0.0	0.0	0.007383576424323727	0.0	0.0	0.0	0.0	0.047649542964507116	0.0	0.004286476296490069	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021709582311093833	0.00018956326228937253	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002723064188337049	0.10814842409543422	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0011379335424190804	0.0023259328245757095	0.0	0.0	0.0	0.0	0.0	0.02932840493511814	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04197672003715426	0.0	0.0	0.0	0.0	0.0	0.00755697825084809	0.06903451923468487	0.0	0.011129141834830754	0.0	0.0	0.0	0.0	0.08229046399055955	0.053947610739772965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.6610587362108565	0.0	0.0	0.0
+Chlorferone	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00010624994154399424	0.0	0.00048145851379487696	0.0	0.0	0.001378530058632983	0.5119124308782732	0.0	0.0	0.0007019312710745843	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01497401835675975	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02142243317864523	0.0	0.0	0.0015703576109149019	0.0	0.0	0.02933964808075827	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003661119547366143	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02844782817282543	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05610982462241611	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0195141386203019	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018551224450191965	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009795623435809573	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Carbofuran phenol	0.0	0.0	0.0	1.1011269225607996e-05	0.0	0.0	0.0	0.0005512313998990455	0.0	0.0	0.0	0.0	0.0016585551313909124	0.0	0.0	0.019057952744871796	0.032805631040712574	0.0	0.0	0.0	0.0	0.0	0.006813201715537421	0.0016427596905975168	0.0	0.0	0.014672754484302632	0.0	0.0011919390421570482	0.06634917722629927	0.0	0.0	0.046480517252673687	0.00865190143044738	0.0	0.0	0.0013239384302238864	0.014704846427516315	0.0	0.0008563796959883112	0.0	0.0	0.5173781620618291	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0026734699875349153	0.005012269939837892	0.0	0.0	0.01453969437462962	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03521293703543891	0.0	0.019994011428865713	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02282138405446014	0.08138596306059913	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0038239790781009835	0.06357800289309075	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011238963887368714	0.0368603566859741	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06562839153804315	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Diazinone	0.00030157714929535215	0.0	0.0	9.314161509334423e-05	0.0	0.0	0.0003116467168844985	0.0001847620911829786	0.0	0.0002831643844897895	0.0011422404570178703	0.0	0.01703616667043885	0.0	3.480568571397522e-05	0.08986704869135755	0.11666402585956431	0.0	0.003265671547367061	0.0	0.0004102210527482298	0.0	0.010969033485509755	0.0030763550151383366	0.0	0.0	0.0006531905325106997	0.0	0.06848945435999586	0.010241461287539198	0.0	0.0	0.029191008449985657	0.00820129799945222	0.0	0.0	0.01213188974775095	0.0	0.0014968412646006696	0.011419483250314826	0.0	0.0	0.014327220925447675	0.0	0.0008054587933845811	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01118754714800511	0.07922960710671743	0.0019138444768516667	0.06261979720183125	0.010496543197725115	0.0008492384249053738	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0024166741020443454	0.0	0.037721067880886056	0.0018755468275066006	0.0	0.0	0.0037649677827891856	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028302317223317233	0.01723356218620936	0.03164674123912934	0.08019204942296002	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0031897943876514584	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015501614536911313	0.019167726686642638	0.0	0.013084666486904331	0.0	0.0	0.0	0.0	0.007785763654785626	0.0	0.05198227932712847	0.013107129045885742	0.0	0.024470515864514673	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015023814249614827	0.0	0.0	0.0	0.0	0.0	0.002986161010595794	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Dimethachlor	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00011019716774169403	0.0	0.0	0.0	0.0	0.0	0.030893414963084957	6.969466795248384e-05	0.00879566425663673	0.08667043485471053	0.0	0.0	0.00200932878994283	0.0	0.0	0.006024655299187722	0.0009958281083609838	0.0	0.0	0.0008214481666721597	0.0	0.0	0.0	0.0	0.0	0.024856800213240625	0.0038534376590267246	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015492762853120049	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05630543090724011	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17556169490310786	0.0	0.0024710208727315632	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03421078605701449	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.9046302361414544	0.041218021011488776	0.006396466543165453	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02948906233911436	0.0	0.0	0.0	0.008110884897273673	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+2,2',3,4,4',5',6-Heptabromodiphenyl ether	0.024180191238671073	8.887237793003861e-06	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005614826574845663	7.098408089129075e-05	0.022729251382813776	1.300853899952486e-05	0.04377290970877465	0.04666883996890033	0.0	0.0005756402355169657	0.0	0.000990567802396304	0.0	0.010254881884208174	0.0017865154256511949	0.0	0.0	0.0	0.0	0.0009603812536700602	0.0	0.0	0.0	0.0	0.0	0.02585899229954758	0.004295114144427846	0.0	0.008985455655189132	0.0033673544037837403	0.0006900109627774692	0.0	0.0	6.421453986856273e-05	0.0	0.0010245570592074115	0.0	0.0	0.0	0.0	0.0012119557858592666	0.0	0.0	0.0	0.0021540954423571648	0.0020960886002588924	0.0	0.0	0.006646524261988957	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00044953201125915235	0.0	0.0032556455109727326	0.004681503397263374	0.0	0.0	0.0	0.0	0.0026457661790698244	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0003331845089314737	0.04141634826113355	0.0	0.0	0.0	0.0	0.027620671563881843	0.00864040709019798	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0065858607701779585	0.0	0.0	0.0	0.026450381209109513	0.0	0.0030776013723094998	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03047378825096018	0.0	0.0	0.0	0.0	0.0	0.010686338710136089	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2-Chlorobiphenyl	0.00011324268357854906	0.0	0.0	0.0	0.0	0.0	0.3032715254573436	0.0	0.0	0.0	0.0004608409909277129	0.0	0.001767585579920843	0.0	0.0	0.27327014313288	0.0	0.0	0.0	0.0	0.0	0.0	0.6159214014775712	0.0	0.0	0.0	0.0	0.0	0.00017503836960618184	0.008061831686581568	0.0	0.0	0.009305274066651756	0.0	0.0	0.0	0.03133334562696776	0.007807987754574633	0.0	0.0	0.0	0.0	0.009895881020112837	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06769161101078179	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.10646899731773138	0.0	0.09381009960581205	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06929621057372863	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06364451731179804	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009872717001249445	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13304310182806653	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,3-Dichlorobiphenyl	0.0021403326295164854	0.0	0.0	0.0	0.0	0.0	0.010914793332299473	0.0	0.0	0.0	0.0004963107434811309	0.006632230693509383	0.005630300010094695	0.0	0.0	0.31022296113995185	0.0	0.0	0.0	0.0	0.0	0.0	0.018879901339814126	0.0	0.0	0.0	0.0	0.0	0.00018851062528549238	0.013682199412754545	0.0	0.0	0.012560486854744693	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01592790407274472	0.0	0.00011827714480831845	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06267043988019284	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02682594151433092	0.0	0.02485792875204878	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11731184208673759	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013724240655251024	0.0	0.0	0.0	0.0	0.010632594781130291	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',5-Trichlorobiphenyl	0.017943213262077408	0.0	0.0	0.0	0.0	0.0	0.087064877982102	0.0	0.0	0.0	0.003289427670354293	0.014819620616617441	0.0013156668612608685	0.0	0.0	0.024814040882086087	0.0016059254190362922	0.0	0.0	0.0	0.0053584604782917645	0.0	0.14975274740532848	0.0	0.0	0.0	0.0	0.009147963849634946	0.003250511346211892	0.018534215972321782	0.0	0.0	0.012712799472328399	0.0	0.0	0.0	0.0006869782053537897	0.0	0.0	0.0	0.0	0.0	0.02918234680222745	0.0	0.0008772812989456821	0.0	0.0	0.0	0.0	0.0	0.0	0.0645923535768254	0.0	0.0	0.14136202140761372	0.0	0.0	0.00616090542877633	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006207121384039772	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.037346390225024534	0.0	0.0	0.0	0.0	0.05196783809929346	0.006933978493028346	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004753178223017483	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.17187616901661615	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04027892893527143	0.0	0.0	0.0	0.0	0.014656103663908297	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011351531397895288	0.0	0.0	0.0
+2,4',5-Trichlorobiphenyl	0.010939288367217232	0.0	0.0	0.0	0.0	0.0	0.05288809897115894	0.0	0.0	0.0	0.0028267531745579002	0.011472022258313326	0.000915741914780242	0.0	0.0	0.0052695425959088426	0.0020567387788782074	0.0	0.0	0.0	0.0003045075673257967	0.0	0.09088044050557895	0.0	0.0	0.0	0.0	0.008624777247340808	0.002917981605974291	0.013626979502651414	0.0	0.0	0.009792201976871815	0.0	0.0	0.0	0.0005621265123720494	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009300566307218158	0.0	0.0	0.0	0.0	0.0	0.0	0.08935905370069538	0.0	0.0	0.15267284396925815	0.0	0.0	0.006274989286592174	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004648829229448915	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.028218393458288513	0.0	0.0	0.0	0.0	0.07265316575521634	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12830450411259223	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.031651304692328554	0.0	0.0	0.0	0.0	0.010629093790559846	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011803682541030076	0.0	0.0	0.0
+2,2',3,5'-Tetrachlorobiphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.0005811687867543975	0.0	0.0	5.628646155012935e-05	0.016455621706984412	0.018021535935110144	0.010346785211038961	0.0	1.2648245163066914e-05	0.0062031240943866035	0.009380774869633717	0.0	0.0	0.0	0.0027603397952914613	0.0	0.0011616218511712087	0.0	0.0	0.0	0.0004234807693156201	0.004348466151594355	0.017954016603515977	0.020218671902261065	0.0	0.0	0.009801818734980138	0.0	0.0	0.0	0.0006642642665808603	0.001059119146360806	0.0	0.0	0.0	0.0	0.025779043584453664	0.0	0.017943238708627445	0.0	0.0	0.0	0.0	0.0	0.0	0.0065827163362631785	0.0	0.0	0.02107806267850296	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0038013480702573797	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013156996524584906	0.0	0.0	0.0	0.0	0.0028591094866719734	0.013142869157569839	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005299507857484018	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13588343325996396	0.01653319830662673	0.0	0.0	0.02585551231952058	0.0	0.0	0.0	0.051188521457487854	0.0	0.0005794798351224344	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.04323230346973233	0.0	0.0	0.0
+2,3',4,4'-Tetrachlorobiphenyl	0.0	0.0	0.0	0.0	0.0	0.0	0.0004796004640134875	0.0	0.0	0.0	0.014039271045146982	0.012324830141785717	0.006938601552640558	0.0	0.0	0.0022042031453802457	0.007279174855909372	0.0	0.0	0.0	0.0007890835009779386	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015087173269228009	0.013745280743286792	0.0	0.0	0.008788341140207925	0.0	0.0	0.0	0.0004276525504148807	0.0	0.0	0.0	0.0	0.0	0.0317867190495943	0.0	0.010561979002570969	0.0	0.0	0.0	0.0	0.0	0.0	0.0021750249510694543	0.0	0.0	0.010155796500614503	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013346523229449388	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009328891707752836	0.0	0.0	0.0	0.0	0.0	0.010807095083712534	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08868731353835538	0.012932536414795196	0.0	0.0	0.036855030006289605	0.0	0.0	0.0	0.03904134658680573	0.0	0.0004800290416636932	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.029872007155097226	0.0	0.0	0.0
+2,2',3,4',5,5',6-Heptachlorobiphenyl	0.03244467416779187	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0024895102002904465	0.007672383324651833	0.0001546951428897875	0.0	2.2487818510533545e-05	0.013249895035040992	0.0026318450130285074	0.0	0.0011051532406801577	0.0	0.011768939224583814	0.003657962128100142	0.0036146448425800584	0.0	0.0	0.0	0.0	0.0	0.0	0.024887186185422207	0.0	0.0	0.005712212721313839	0.0046575576539115374	0.0	0.015310334015996217	0.0	0.0006003068508853939	0.0008157967874861527	0.0	0.0	0.0	0.001010062239390051	0.0	0.0003434766524302305	0.0	0.0	0.0	0.0	0.0	0.0	0.006496231566704821	0.0	0.0	0.00204367298698526	0.0	0.0	0.0007342493950882202	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002225766641004255	0.0	0.0	0.0	0.0004803566373684986	0.0	0.0022888124306499535	0.0037101800572763577	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0021338907796103835	0.0013072446927100442	0.0	0.0	0.023032734711398696	0.0	0.010069228796662071	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0004764035526827668	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0029419934172399288	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.021628490238476763	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4,4',5',6-Heptachlorobiphenyl	0.03154973060569359	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.221567862082669e-05	0.0022592449822639252	0.008342544972915374	0.00013888950232267055	0.0	2.5027570368358032e-05	0.012115928214255398	0.0026082776307187975	0.0	0.000989875719591812	0.0	0.011491754199081092	0.0036620250789874036	0.00618854607731391	0.0	0.0	0.0	0.00045737069766991773	0.0	0.0	0.023334024473851883	0.0	0.0	0.014726087423930766	0.015837949612928514	0.0	0.01697289918056553	0.0	0.001481402822591336	0.0014210475982280727	0.0	0.0	0.0	0.0008350844934871832	0.0	9.84160187908846e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.005989804280135013	0.0	0.0	0.0008551020918476102	0.0	0.0	0.0006622653518019996	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0019974123263492814	0.0	0.0	0.0	0.0	0.0	0.00206651266393053	0.004742002248318817	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0025701491618552877	0.001180551552375819	0.0	0.0	0.02286907508935134	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0031599975895360063	0.0	0.0	0.0	0.0	0.0	0.0007740003664074829	0.0	0.0	0.0	0.007803347434075032	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01931999586804777	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,3',4,4',5-Heptachlorobiphenyl	0.027824406868184704	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.459631015289126e-05	0.0023105793148913093	0.00955241522908475	0.00010546585923301637	0.0	2.6166167237519582e-05	0.012553897383911376	0.0027576613020851588	0.0	0.000996528620573916	0.0	0.013139915716208195	0.0038409998876591297	0.005770331882665763	0.0	0.0	0.0	0.0005125695135020283	0.0	0.0	0.026468624543899893	0.0	0.0	0.016274926048827992	0.019201586825586172	0.0	0.015264989274180076	0.0	0.001817929695372386	0.0013117524758101255	0.0	0.0	0.0	0.0011182923474522832	0.0	9.84069657640304e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0062347754763337985	0.0	0.0	0.0009051780293221778	0.0	0.0	0.000644262547953584	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0021895736129928676	0.0	0.0	0.0	0.0	0.0	0.0018991783965563234	0.004248404346839542	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0023417006483902165	0.00122975635533877	0.0	0.0	0.026858514360837617	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0033111572005429493	0.0	0.0	0.0	0.0	0.0	0.0007528149904880978	0.0	0.0	0.0	0.0067410629550761795	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02046521642617199	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4,5'-Pentachlorobiphenyl	0.00401692027317627	0.0	0.0	0.0	0.0	0.0	0.0008805505440042807	0.0	0.0	0.00021290493696669163	0.03283043812287479	0.012063041053173814	0.00021326623938624866	0.0	1.9630580811410536e-05	0.0045115168444867185	0.011431640034569314	0.0	0.0	0.0	0.008446969651142318	0.013960513606708223	0.0020203177319991186	0.0	0.0	0.0	0.0003289330402362527	0.0	0.0337131623145616	0.014851023059309978	0.0	0.0	0.013793585775728362	0.0037527026403266013	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.025439711982110605	0.0	0.0011947221390222603	0.0	0.0	0.0	0.0	0.0	0.0	0.054934945838324666	0.0	0.0	0.026517759410645256	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006794961392434442	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005222465978832991	0.0	0.0	0.0	0.005464752908716547	0.004963391097938211	0.0015312860513408682	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005002920444268559	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014544901189025752	0.0	0.0	0.0	0.0	0.0	0.0	0.010171491442749783	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02215512981376598	0.0	0.0	0.0
+2,3,3',4',6-Pentachlorobiphenyl	0.005217162553102782	0.0	0.0	0.0	0.0	0.0	0.0007145006300208724	0.0	0.0	0.00017494834709028261	0.025176429368187946	0.009237723495146634	0.00015652436287512842	0.0	1.9405440076819673e-05	0.003387360329253387	0.006318729378725733	0.0	0.0	0.0	0.006051797974658463	0.01729019011596793	0.0026906930213861646	0.0	0.0	0.0	0.0	0.0	0.02588139451795393	0.011557730189350707	0.0	0.0	0.006744128967979086	0.004471734849147697	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02126736025677163	0.0	0.000969608473254293	0.0	0.0	0.0	0.0	0.0	0.0	0.03935956442866287	0.0	0.0	0.019184476982625036	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0035717060039190617	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0039828699472893	0.0	0.0	0.0	0.0074736291103922	0.0031312281173774587	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004807438403895632	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01303740434621435	0.0	0.0	0.0	0.0	0.0	0.0	0.006308711491425715	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.017842974440158522	0.0	0.0	0.0
+2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	0.08430072737256476	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007519967134111344	0.010355738692598405	0.0	0.008029422820650112	1.615733649159969e-05	0.004048537642969388	0.000485970366637921	0.0	0.0003397321681097268	0.0	0.010768676687366878	0.01061347677964958	0.010263862289162524	0.0	0.0	0.0	0.0	0.0	0.00028562623823829783	0.023225751184862194	0.0	0.0	0.009462272130598606	0.020948518345946535	0.00036250777589831134	0.013986558449786838	0.004622001930835286	0.005925002001546171	0.0007125367443465361	0.0	0.0	0.0	6.489403936261245e-05	0.0	0.00287860352595382	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034052764936979363	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0009466674230912091	0.0	0.0	0.0	0.0005583440207947254	0.0	0.0062362274622956345	0.002449320506625997	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002318863594568831	0.0	0.0	0.0	0.000916065458727453	0.0005120240183989516	0.0	0.0	0.009118923554822545	0.0	0.0	0.0	0.0	0.0	0.0	0.0022869874469945363	0.0	0.0	0.0	0.0	0.0	0.0008056506402599232	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.16503091278673038	0.0	0.0	0.0	0.0008504261452660364	0.0	0.0021885601413530035	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.020469808125895113	0.020766363898012424	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,5,5',6-Hexachlorobiphenyl	0.04359632044108575	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00029889976157479155	0.002568019026522496	0.00830246293412037	0.0006599438741232189	0.0	2.5344072098742978e-05	0.007970807670055868	0.01801876665703224	0.0	0.00023374635346018314	0.0	0.013803342476656561	0.017394714045051253	0.003129079491018446	0.0	0.0	0.0	0.0004626141517962804	0.0	0.000229277318833334	0.013702164259907211	0.0	0.0	0.006600922787271123	0.010628097459746607	0.0	0.0	0.0	0.00027159761622979765	0.0	0.0	0.0	0.0	0.0008568881033431689	0.0	0.0033236082740318302	0.0	0.0	0.0	0.0	0.0	0.0	0.0015480536063064165	0.0	0.0	0.0053714790029481055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0025111345946141005	0.0	0.0	0.0	0.0	0.0	0.0	0.007519227292414269	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005387137514215587	0.0006752372116501133	0.0	0.0	0.2743507777729569	0.0	0.000406119416772937	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007142459164134816	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02220922478955054	0.0	0.0	0.0	0.0	0.0	0.0	0.007511807671511844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006975827954385402	0.0	0.0	0.0
+2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	0.09702073561297415	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.014152269551178417	0.0016559233135037144	0.0	2.9024081896337793e-05	0.0012657382033010184	0.04995391911075138	0.0	0.0005363162615259707	0.0	0.010365340490780675	0.0	0.0034419002358847097	0.0	0.0	0.0	0.0003819857288850296	0.0	0.0	0.0025515912911531296	0.0	0.0	0.0003959375062846115	0.002188413893311695	0.010497656519105303	0.0796114917141898	0.0	0.001496330223164564	0.007731948769326396	0.0	0.0	0.0	0.000628563449833262	0.0	0.002887435686977089	0.0	0.0	0.0	0.0	0.0	0.0	0.0014058895092105878	0.0	0.0	0.0	0.0	0.027144553661040374	0.00539872490618415	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006308707427508997	0.0	0.0	0.0	0.0010029761151723212	0.0	0.0	0.006039262078542297	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001313330018586096	0.0	0.0	0.0	0.03359994833740442	0.011201570809457424	0.00019008274442714932	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0014009451631995995	0.0	0.0	0.0	0.0	0.006973125380539619	0.0	0.01851556495512021	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	0.07807529140839023	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012544208215654687	0.01942699338518809	0.001539185793395076	0.0003936743575222898	4.325173073164272e-05	0.00338491860580637	0.03895146366747767	0.0	0.0003465976403446461	0.0	0.0006116983697221737	0.0	0.005985945574918303	0.0	0.0	0.0	0.0009980709787705518	0.0	0.0	0.009093749623873009	0.0	0.0	0.014604289385783446	0.005207077815033012	0.0054886021749250315	0.0	0.0	0.0008450609056736769	0.005518971647430402	0.0	0.0	0.0	0.00287181392897269	0.0	0.000759459998193797	0.0	0.0	0.0	0.0	0.0	0.0	0.001722832372489929	0.0	0.0	0.01000189053945322	0.0	0.08270948045316778	0.010673609172271862	0.02131113478778622	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005099027358067626	0.018166326918686557	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008009833925611639	0.003466433366065062	0.0	0.0	0.0	0.02845314157395969	0.047884793265694205	0.00016318699801554028	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00324278344257244	0.0	0.0	0.0012076557175746178	0.0065268398355721935	0.24826009298596555	0.0	0.025172738771631127	0.0	0.0	0.021025538537358047	0.005185843274708612	0.0	0.0019938470082004507	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	0.043179923917335716	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016615610335680188	0.01725175519201964	0.0013894757959060857	0.0	3.966874999705295e-05	0.0032796123895223106	0.021080690824059937	0.0	0.00036928907476944033	0.0	0.009447618770997814	0.0	0.005741022983884597	0.0	0.0	0.0	0.0007845222175880935	0.0	0.0	0.009187306243157235	0.0	0.0	0.008505897905373776	0.0053517186346184725	0.0037061183747207115	0.0	0.001223717941424638	0.0006642148021504717	0.0007731349824931419	0.0	0.0	0.0	0.03879015702561952	0.0	0.0009672131491019777	0.0	0.0	0.0	0.0	0.0	0.0	0.0031636335807472427	0.0	0.0	0.009867353643160439	0.0	0.09043515159816724	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005836232576120157	0.007622103080935968	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002626561500265434	0.0	0.0	0.0	0.026123291757687413	0.03386098987214199	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000212259147241055	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002863831201952199	0.0	0.0	0.0011129374000435528	0.0040848821549093525	0.23748098935395204	0.0	0.02670159413824645	0.0	0.0	0.0	0.004736047429690803	0.0	0.0008737915898524705	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+2,2',3,4,5,5'-Hexachlorobiphenyl	0.03273050404142966	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00024144082846253183	0.002669464704526263	0.009207269545768167	0.00019399888738585216	0.0	2.0768823097211413e-05	0.008634405654859494	0.014907337608741742	0.0	0.0	0.0	0.01269680425230821	0.013152512111210098	0.0029073104371644975	0.0	0.0	0.0	0.0004746908703110637	0.0	0.00024461921211646215	0.012281192015463292	0.0	0.0	0.006107176780926201	0.010294521527754041	0.0	0.0	0.0	0.000282279395740554	0.0	0.0	0.0	0.0	0.0008388135783614706	0.0	0.003214420646870965	0.0	0.0	0.0	0.0	0.0	0.0	0.0017758454500628356	0.0	0.0	0.005647819755497544	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0023103272508311775	0.0	0.0	0.0	0.0	0.0	0.0	0.007144189597164855	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0056675201535374645	0.0	0.0	0.0	0.2800042349858234	0.0	0.0003821169959466488	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006432247924737892	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013295507546528945	0.0	0.0	0.0	0.0	0.0	0.0	0.006767848794028429	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0074426094423329274	0.0	0.0	0.0
+Praziquantel	0.0012678409174335832	0.0	0.0	0.0	0.0	0.0	0.0009444989717449216	0.007486846702461482	0.0	0.0	0.004041552597474591	0.0	0.008048655392458803	0.0	0.0001299655932510004	0.03246511030762906	0.0	0.0	0.0	0.00038214668180012627	0.01401832151851072	0.0	0.034622073957536595	0.004490225685750303	0.0	0.0	0.0	0.0	0.013433584184097389	0.004063323255526031	0.0	0.0	0.009168637398620259	0.039840931568827544	0.0	0.0	0.0	0.014328733909866616	0.0352727221936598	0.008110215318517586	0.0	0.0	0.00018139253708490024	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016255417293637175	0.0	0.0002795751454858293	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07958135980319712	0.0	0.0	0.0006278033578432634	0.0	0.6840766738581762	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.016341736944710503	0.0	0.0	0.007884192224674269	0.02077977999482823	0.0012558099840507633	0.0009115196382504619	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.3024801127581045	0.0	0.0	0.0018998451300905159	0.017237244228230444	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00921327437036849	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.26073224060390104	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.28517641038676056	0.0	0.0	0.0
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+Bromuconazole_isomer2	0.005642136859328345	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005246748849650805	0.0	0.0	0.0023728662881652603	0.0008662285425131222	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0007302127609902379	0.0027244695255653067	0.0	0.0	0.0	0.003108111833888402	0.003434856864452906	0.0	0.0	0.002590147711577977	0.0	0.0005246404053783914	0.0	0.0	0.017848542369718536	0.0	0.00040428944861547664	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016378370302306013	0.0	0.0	0.007859004003743314	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.7127828451721377	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0013187543367429414	0.0	0.0	0.0	0.0	0.0	0.020550725164029834	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0076760053650881494	0.0	0.0	0.0	0.016863348341614987	0.0	0.0	0.0	0.006588266178951872	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Difenoconazole_isomer1	0.03439360977028099	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06584178642967592	0.002484673149065534	0.0	0.001525728409436121	0.000372639875761228	0.0	0.0	0.00010043248602765769	0.0003522949203592121	0.0	0.0	0.0005863593772361642	0.0	0.0	0.0	0.0	0.000914839890889474	0.0	0.0	0.0	0.004567406790864904	0.0	0.0	0.0	0.0	0.0	0.0005395220049012837	0.000657290582763444	0.0	0.0	0.009667955926568961	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002051948048674179	0.0	0.0	0.013593485783910278	0.0	0.014565160296184286	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03873768767929714	0.0	0.0	0.0	0.0	0.02546148101538813	0.0	0.0233265409284287	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006157791457313885	0.001809583193431687	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.3935774707401791	0.0	0.0	0.0	0.0	0.0	0.0	0.0070623879441391825	0.0	0.0	0.0	0.001940606143768909	0.011387153790613324	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Difenoconazole_isomer2	0.03553284820744856	0.0	0.0	0.0	0.0	0.0	5.132741344328644e-05	0.00040696951854721	0.0	0.0	0.0	0.0	0.06684912899520211	0.002533960551001549	1.1963690848520596e-05	0.0021978600975749436	0.0	0.0	0.0	0.00012635926175228777	0.00037840291223078544	0.0	0.0	0.0004801317780190564	0.0	0.0	0.0	0.0	0.000436026718508693	0.0030215717462451115	0.0	0.0	0.00488897344301464	0.0005520190887123007	0.0	0.0	0.0	0.0	0.0010336890139028654	0.0003132747694575946	0.0	0.0	0.01201645364498877	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000977989900881805	0.0	0.0	0.015009572036051438	0.0	0.018314523826280214	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03444240873058353	0.0	0.0	0.0	0.0021306195964200018	0.010254031872114619	0.004681299140263795	0.02587548436786699	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000886393439428457	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.007067912505553957	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005873019527038155	0.0	0.0	0.43317358996336186	0.0	0.0	0.0	0.0	0.0	0.0	0.007559497203634716	0.0	0.0	0.0	0.0	0.012244904999043002	0.0	0.0005917939121518802	0.005983322942997761	0.0	0.007886471196693536	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0071281789540816685	0.0	0.0
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+Epoxiconazole	0.009308808494746622	0.0	0.0	0.0	0.0	0.0	0.011901362630771474	7.11708792816194e-05	0.0	0.0011599493799684258	0.014211161359136954	0.0	0.00012516636701216012	0.0	2.4701084366555615e-05	0.04036800614959892	0.03845344161212977	0.0	0.07313225916488222	0.0017091172980699238	0.001708097498876076	0.0	0.031202021075093594	0.0015774393628961523	0.0	0.009963752787712554	0.0038185134001359963	0.0	0.0275996118114585	0.003313780923485362	0.0	0.0	0.05194077594963001	0.06382016702872034	0.0	0.0	0.001348373020791574	0.0	0.0013036447477938766	0.011515867391595795	0.0	0.0	0.006356429049962456	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002244307719823989	0.005110295262005472	0.0	0.2557235415238599	0.0	0.04907887536938304	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008535876423928408	0.0	0.014731022225334445	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.019948464982392142	0.0	0.008406010948570785	0.031033456403073926	0.0036439117960984564	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002028163306971366	0.0	0.0	0.02781379400156563	0.0	0.0	0.002432727458665552	0.0	0.0	0.11431527796038157	0.0	0.0	0.0	0.0	0.07764695310840075	0.0	0.03467393212088409	0.002540035017695434	0.028773602959223616	0.07991385800166735	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.023974973969687015	0.0	0.0	0.0	0.05524035556798129	0.0	0.0	0.0	0.0	0.0	0.0	0.0046541340390405615	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Penconazole	0.00012404200989491064	0.0	0.0	0.0	0.0	0.0	0.017407304487324565	0.000399477964087498	0.0	0.0	0.000770801630256419	0.0	0.018106036337563837	0.0	0.0	0.0036951906662049294	0.002087739241759528	0.0	0.0	0.0002843870851176618	0.0	0.0	0.03464730737249992	0.0	0.0	0.013014700578032126	0.0	0.03299301749838678	0.0005629885059901328	0.07836476567926473	0.0	0.0	0.0	0.0057922547006163064	0.0	0.0	0.0007451658788848462	0.07929432826473883	0.0	0.0	0.0	0.0	0.010771877452492645	0.0	0.0191584339953958	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00973022937904911	0.0	0.00650815039870988	0.014048757919571865	0.002385654737669142	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0063214520420599215	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0015121662846663774	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.015259731058496685	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0052009966087651705	0.016513084793746177	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.060763947613922356	0.0	0.0	0.0	0.0	0.0	0.008221512000108417	0.0	0.0	0.0
+Propiconazole_isomer1	0.008486303196419472	3.944681131585644e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00017401249744111857	0.0	0.0	0.0	0.0	0.0	0.0034979680940364194	0.03154891561757263	0.0	0.0	0.0002545425720232082	0.0	0.0	0.0038904220309830193	0.0	0.0	0.01042343326985813	0.0	0.0	0.0	0.0027417683504251883	0.0	0.0	0.010828925688614046	0.0	0.0	0.0	0.15730702340481711	0.0034902633930563483	0.0	0.0033842126375736212	0.0	0.0	0.06136143800289669	0.0	0.00823135495073531	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008675849557059937	0.011954551647536494	0.020008228186830058	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.5778265021292126	0.0	0.0	0.03772324008103948	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002117129260352206	0.0	0.00332089033321952	0.0	0.0	0.0	0.010400682861347777	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.07772735944356828	0.0022812144948066637	0.0	0.0	0.0	0.0	0.0	0.0	0.0016776530900332411	0.08401924055537831	0.0017627412124183203	0.0005480164983333367	0.0	0.0	0.0	0.0	0.029714691309691062	0.0	0.0	0.007838877876356452	0.0	0.005361210487526337	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004013611015564383	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Propiconazole_isomer2	0.002921727174083367	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0020800128750877935	0.032173876164885	0.0	0.0	0.0007865897399740888	0.0	0.0	0.0009530130472602013	0.0	0.0	0.0	0.0	0.0	0.0	0.004072363620047565	0.0	0.0	0.016274882105929478	0.0	0.0	0.0	0.23078873703614217	0.0043581665446896225	0.0	0.0	0.0	0.0	0.010413409376215694	0.0	0.00011017381139660169	0.0	0.0	0.0	0.0	0.0	0.0	0.0009877862869477603	0.0	0.0	0.0	0.0	0.012115300952290705	0.011287325743178261	0.0007423577748151242	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.6335417442437353	0.0	0.0	0.03847558633399148	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0018657156362582017	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.08836655898880823	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01822270792788853	0.0	0.0005353766785217873	0.0	0.0	0.0	0.0	0.014860093629167442	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tebuconazole	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00010314952297052547	0.0	6.958312281180528e-05	0.022964173999465997	0.0	0.011909014152141848	0.0	0.0	0.010401569358394824	0.0058601213149884705	0.0	0.015793842052065517	0.0	0.0	0.0	0.010282675405633527	0.0	0.0	0.05420292741053422	0.0	0.0	0.03904644663627499	0.003087551106861598	0.0	0.0	0.00848426739820431	0.008549919397938577	0.0	0.0	0.0016156988633600985	0.0	0.0	0.015566208209349026	0.0	0.0	0.00012061980646188712	0.0	0.0002926858424627794	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01953130688685747	0.005633151645060449	0.0	0.03385110590614698	0.0	0.015525751014499198	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002193292368205507	0.0	0.0006632846585463199	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002034912887054097	0.0	0.0010463472261281511	0.02265136790089697	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010492267677427412	0.0	0.0	0.0014343314324378152	0.0	0.0	0.02225210663756712	0.0	0.0	0.0	0.0	0.012093740813001	0.0	0.0	0.0	0.009602433795660956	0.49196750186604227	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009044139912561044	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Tetraconazole	0.004915317842223161	0.0	0.0	0.0	0.12154746411094572	0.0	0.004242975209242355	0.000153047474104604	0.0	9.09291378402659e-05	0.0008795130700351717	0.006576693901014327	0.0009309044872272935	0.0	0.0	0.008362106687392833	0.0009382799402881276	0.0	0.0	0.00024055835767094683	0.0	0.0	0.008545729812877245	0.0	0.0	0.0	0.0	0.0	0.0011748529855326974	0.013410849764217097	0.0	0.0	0.0	0.0	0.0	0.0	0.038535734582240064	0.01334937779985783	0.0	0.0009052794146544724	0.0	0.0	0.02411728068998146	0.0	0.02926075303665523	0.0	0.0	0.0	0.0	0.0	0.0	0.0033243093418289875	0.0	0.002826126491262518	0.009014774806284567	0.0	0.019471250523430586	0.07918139075607412	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.06656953579985672	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017731386169539086	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.002509345243588998	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.03275837199430424	0.0	0.0	0.0	0.024118782903372892	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018842038382647624	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.025581367390648917	0.0	0.0	0.0
+Triadimenol_isomer1	0.0022900420684228164	1.769398887430207e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0001366719178145793	0.0	0.0	0.003922429137892946	0.00536574587916741	0.0	0.017397832477615168	0.0	0.0	0.0	0.0	0.00016312302521858342	0.0	0.0016213521205063828	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017225888566283487	0.0034296501840533826	0.0	0.0	0.030101385062864288	0.0006355734176915642	0.0	0.013362139144799822	0.0	0.0	0.0	0.0	0.0003134882793843763	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000222416234840384	0.0	0.0	0.012571054101917374	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.005990002194919335	0.0011021317744310964	0.0015017914766961508	0.007238142838620104	0.0	0.0	0.0	0.6530903778998592	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1543437479888584	0.0	0.0	0.002241875928577856	0.005642441604512683	0.0	0.0030501852182674375	0.0	0.0	0.0	0.0	0.01570042942748086	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.13304144483879182	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triadimenol_isomer2	0.006276306473865621	5.4203981311495424e-05	0.0	0.0	0.0	0.0	0.00018015497476428505	9.120081948944864e-05	0.0	9.372255228346879e-05	0.0	0.0	0.004410933399701668	0.005626839246789385	0.0	0.029212410137401515	0.0	0.0	0.0	0.00023215477570955235	0.0	0.0	0.006563282967866244	0.0016193841714900997	0.0	0.0	0.0009787029340931135	0.007716216446825619	0.0	0.009728680561072388	0.0	0.0	0.0015038621188620406	0.002915651186772889	0.0	0.0	0.043317460691733284	0.0014601173053295767	0.0	0.016725597629380716	0.0	0.0	0.009343607023406574	0.0	0.00030781198022169923	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0066663674099314485	0.00016648949111705772	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0027762983519801776	0.0	0.0003302413367800613	0.0	0.002157419994880756	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0012029045577249908	0.0	0.0	0.0	0.0	0.0	0.0	0.03343888196468822	0.0015357538696875676	0.0017442919493501656	0.010457548890340689	0.0	0.0	0.0	0.6220057644083183	0.0	0.0	0.0	0.0	0.0018610389927413381	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0017869680668572304	0.0	0.0	0.14947938247085052	0.0	0.007213942325076391	0.0021608505442793427	0.0067701849661657085	0.0	0.012051864363582514	0.0	0.0	0.0	0.0	0.014773501979452645	0.0	0.010327415767333677	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1324214959534009	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Metconazole	0.008017944522067898	0.0004277207268812339	0.0	0.0	0.0	0.0	0.009519086581549005	0.0010517540273030962	0.0	0.00017090045032513515	0.030140591361840805	0.0	0.002524741698959927	0.019255130542032563	0.0	0.03778855460260149	0.0038106344382243707	0.0	0.011804475992025151	0.0	0.011461696529417923	0.0	0.0016158485609678865	0.0011925040305117518	0.0	0.011215047805859458	0.0	0.0	0.02571405479958639	0.007072441230863583	0.0	0.0	0.059217005742396925	0.05128883491700987	0.0	0.0	0.009818865584384653	0.0	0.0007323574814391828	0.06823103471307837	0.0	0.0	0.008918180841871279	0.0	0.0003070028871104122	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009466042079955989	0.034556567099473114	0.004005086797101127	0.11732540908850458	0.0	0.00981910555936478	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.027201198306885433	0.0	0.0	0.0	0.021054582399588354	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0034256734359774652	0.0016392398081739462	0.0022213136465426752	0.034010935411845314	0.041521409655381064	0.0	0.0	0.0	0.016381398008897693	0.0	0.0	0.0	0.0	0.04967011382209555	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009334381334465623	0.0	0.0	0.02928251251558062	0.0	0.04286615974011067	0.0024709001372657537	0.01850731035324377	0.0	0.030655449100018158	0.0	0.0	0.0	0.0	0.01906726818951576	0.0	0.0	0.009062313867480486	0.013628888882183188	0.6457097667608181	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02524098205690894	0.0	0.0	0.0	0.08494543650654697	0.0	0.0	0.0	0.0	0.0	0.0	0.0024790389315797086	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
+Triflumizole	0.01812978925623829	9.02302014171836e-05	0.0	0.0	0.039851920815444704	0.0	0.02751604744669612	0.0008617168019302059	0.0	7.944389081446076e-05	0.02370792926917195	0.0	0.016872145389636575	0.005019835740021592	0.0	0.06257604946906452	0.0012155719530806929	0.0	0.0006878862799597047	0.000693078121255599	0.03992777694776898	0.0	0.0541840744946252	0.0	0.0	0.005438634601264326	0.0	0.010750335917340726	0.024271384679450527	0.006663434080387859	0.0	0.0	0.007565153761468604	0.06159748247358588	0.0	0.0	0.012357386666979619	0.0034105629980342783	0.0	0.09132530058084994	0.0	0.0	5.899099325556429e-05	0.0	0.011585195571479856	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003202976039130674	0.08877031470730602	0.0012376818779636558	0.004349171774980581	0.0	0.03972834237850037	0.0	0.0	0.0	0.0	0.0	0.00966372701557168	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.02116380183501335	0.0	0.005712535234443155	0.0008998159605264395	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01358541775508095	0.0	0.0	0.0	0.0	0.007157714458534073	0.010581220126003016	0.0	0.001161519265056152	0.0	0.0	0.0	0.0	0.028642800896043746	0.0	0.0	0.0045906890321988116	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0008905673755964465	0.0	0.0	0.019339391296724663	0.0	0.0066333772993911145	0.00040690253907415234	0.0	0.0	0.0	0.0	0.0	0.0	0.007020458567354666	0.0	0.0	0.045964719502922594	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.008813750467956525	0.0	0.0	0.0	0.0	0.10858411907186043	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01109188019267752	0.0	0.0	0.0
+Triticonazole	0.01469356999677881	0.0005521397863795843	0.0	0.0	0.007849457498820591	0.0	0.0009068795575195791	0.0021176369152790023	0.0	0.0007617997698321861	0.006226928695775873	0.0	0.007420193202645456	0.005130280611340225	0.0	0.03341223126169954	0.008736684455230521	0.0	0.0032695078426615612	0.0	0.046910196730721415	0.0	0.0260794112052891	0.001488425129316827	0.0	0.0	0.0	0.0	0.01234926419521836	0.001014904529199567	0.0	0.0	0.011190531584410858	0.2631877953005832	0.0	0.0	0.025060457743694507	0.018178949238271295	0.00042534141277390683	0.10289159970592592	0.0	0.0	0.03996520886605676	0.0	0.0152356713501556	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003982745109654614	0.05811919260329645	0.03919466322307228	0.0	0.006088654954827971	0.0004216635058037027	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00023098849594595138	0.004448786112241663	0.0009844979278170118	0.0	0.0014995936368621227	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01349919958319952	0.0	0.0	0.011542723136085209	0.0	0.0	0.16885819011116895	0.02701953480486311	0.0011352220250239243	0.0	0.0	0.0	0.0	0.016645739075180434	0.0	0.0	0.5336996347532538	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.018086522273077058	0.0	0.0	0.012010440443197688	0.0	0.00531032954008553	0.02283600134781841	0.0	0.0	0.01069945482912772	0.0	0.0	0.0	0.0	0.01053658819054525	0.0	0.0	0.0	0.0	0.07982324827144	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.010352776646506122	0.0	0.0	0.0	0.004922269785534916	0.0	0.0	0.0	0.0	0.0	0.0	0.0004485800572033396	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.012287819396795008	0.0	0.0	0.0
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+17-beta-Estradiol	0.011645515226656952	0.0	0.0	0.0	0.0	0.0	0.033197330090311346	0.0011593949831483676	0.0	0.00036666242668499996	0.006059769293471897	0.0	0.004225884413903199	0.0	0.0002108112007481792	0.02434907304272976	0.0	0.0	0.0	0.0	0.008492709503076606	0.0	0.0851769291245178	0.011038548259525516	0.0	0.0	0.0	0.03468818366946997	0.006088294442671763	0.0	8.491318225734283e-06	0.0	0.016877383172501113	0.0917270447400931	0.0	0.0	0.001204898384638665	0.006026466200524494	0.0	0.020296497396428456	0.0	0.0	0.0005115089156332656	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.009975237545543905	0.0	0.0	0.1578362185077909	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.003406740077282792	0.0	0.04893031785826824	0.0	0.011096414157598152	0.0	0.0	0.0	0.0	0.01569510672258614	0.006916250320571907	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.11103518523395653	0.0	0.0	0.009847052943511085	0.012447881609859225	0.0	0.0	0.0	0.0	0.0	0.00977273674879971	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013392022272573741	0.0	0.0	0.0	0.0	0.0	0.0	0.0170977949652655	0.0	0.0	0.0	0.0	0.007944110068603821	0.0	0.0	0.0	0.03144579887339493	0.0	0.0026227987333341486	0.0	0.0	0.0	0.0	0.0	0.00888628352177265	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.006847675369148999	0.0	0.0	0.0	0.05477359359289294	0.014982137997848574	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.011712224528606202	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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+Testosterone	0.00963321193050066	0.00024864315729290006	0.0	0.00023222574210458811	0.0009261428396286391	0.0	0.0	0.00040034384039336243	0.0	6.734322542065858e-05	0.0016889974488375878	0.0	0.1780813812315969	0.007271975837211051	0.0001534940265342155	0.027912903539727703	0.0	0.0	0.0	0.0005797401705402813	0.01109882605223559	0.0	0.024485309434567656	0.020836980610370613	0.0	0.004730656796420955	0.009055625850088012	0.01764485751937845	0.0342974876068616	0.003171910470299864	0.0	0.0	0.039580956813763224	0.008699485073663131	0.0	0.0	0.027921629937492445	0.0	0.011883152521337894	0.00473955367711716	0.0	0.0	0.06041370798509162	0.0	0.042697154051077546	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0028714022903154834	0.021418156386493012	0.0015186515255164064	0.006270179831850896	0.029915893967898583	0.00688460931497788	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.001333543171051696	0.0	0.08702752210600657	0.0	0.03171198034450119	0.0	0.0	0.0	0.0	0.0007660193758873158	0.010813507002141582	0.0	0.0	0.0	0.0	0.004200894168035819	0.0	0.0	0.02349484368553467	0.01816654272894712	0.06339867284692742	0.00859117181156952	0.0	0.0	0.0	0.0	0.0	0.0	0.11646566920503162	0.0	0.0	0.0	0.0	0.0031342530947578136	0.0	0.15489171142643712	0.0	0.013048242174815912	0.0	0.0	0.0	0.0	0.0	0.0	0.001658310433454475	0.03949452321180806	0.0	0.0	0.0	0.021990926351807643	0.0	0.13014922112429483	0.0	0.18331721895001493	0.0	0.0014411200837741657	0.0	0.0	0.0	0.0	0.010921053413542842	0.00943243671087211	0.06421886680272976	0.025882956568067213	0.0	0.03618383380922253	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0006655628265325035	0.0	0.026485058850513155	0.0	0.0	0.0	0.10783284756046711	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.12344754627650137	0.0	0.0	0.0
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/scores_test4_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,387 @@
+	Perylene_2H12	Perylene	Phenanthrene_2H10	Phenanthrene	Anthracene	Acenaphthylene	Acenaphthene	Fluoranthene	Pyrene	para-Terphenyl	Retene	Benzo[b]naphtho[2,1-d]thiophene	2,3-Benzofluorene	Benzo[ghi]fluoranthene	Triphenylene	Benzanthracene/Benzophenanthrene	Benzofluoranthene	Benzo(k)fluoranthene	Benzo[e]pyrene	Benzo(a)pyrene	Indeno[1,2,3-cd]pyrene	Benzo(g,h,i)perylene	Anthanthrene	Dibenzanthracene	Coronene	Dicofol	Benzophenone	2-tert-Butyl-4-methoxyphenol	Butylated hydroxytoluene	Bumetrizole	4-Methylbenzophenone	2,4,6-Tribromophenol	2,6-Dichloro-4-nitroaniline	1-Methylphenanthrene	Triclosan	Drometrizole	Enzacamene	2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	Octrizole	1,2,7,9-Tetrachlorodibenzofuran	2,2',3,4,5,5',6-Heptachlorobiphenyl	2,4,6-Trichlorobiphenyl	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	Mirex	beta-Hexachlorocyclohexane	alpha-1,2,3,4,5,6-Hexachlorocyclohexane	Lindane	delta-Hexachlorocyclohexane	epsilon-Hexachlorocyclohexane	Pentachlorobenzene	Hexachlorobenzene	2,4'-Dichlorodiphenyldichloroethylene	2,4'-Dichlorodiphenyldichloroethane	2,4'-Dichlorodiphenyltrichloroethane	1,2,7,9-Tetrachlorodibenzo-p-dioxin	2,4,4'-Trichlorobiphenyl	2,2',4,5,5'-Pentachlorobiphenyl	2,3',4,4',5-Pentachlorobiphenyl	2,2',3,4,4',5'-Hexachlorobiphenyl	2,2',4,4',5,5'-Hexachlorobiphenyl	2,2',3,4,4',5,5'-Heptachlorobiphenyl	2,2',5,5'-Tetrachlorobiphenyl	2,3',4,6-Tetrachlorobiphenyl	2,3',5',6-Tetrachlorobiphenyl	2,2',3,4',5-Pentachlorobiphenyl	2,3,3',4,5-Pentachlorobiphenyl	3,3',4,5,5'-Pentachlorobiphenyl	2,3',4,4',5',6-Hexachlorobiphenyl	2,3,3',4,5,6-Hexachlorobiphenyl	2,3,3',4',5',6-Hexachlorobiphenyl	2,3,3',4',5,6-Hexachlorobiphenyl	2,3,3',4',5,5',6-Heptachlorobiphenyl	cis-Prallethrin	trans-Prallethrin	cis-Resmethrin	trans-Resmethrin	cis-Tetramethrin	trans-Tetramethrin	Bifenthrin	Fenpropathrin	cis-Phenothrin	trans-Phenothrin	cis-Cyphenothrin	trans-Cyphenothrin	Flucythrinate_isomer1	Flucythrinate_isomer2	cis-Fenvalerate	trans-Fenvalerate	Deltamethrin	Chlorpyrifos oxon	lambda-Cyhalothrin	Tefluthrin	Transfluthrin	cis-Permethrin	trans-Permethrin	cis-Allethrin	trans-Allethrin	cis-Cypermethrin_isomer1	trans-Cypermethrin_isomer1	cis-Cypermethrin_isomer2	trans-Cypermethrin_isomer2	cis-Cyfluthrin_isomer1	trans-Cyfluthrin_isomer1	cis-Cyfluthrin_isomer2	trans-Cyfluthrin_Isomer2	1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin	1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin	Octachlorodibenzo-p-dioxin	Octachlorodibenzofuran	1,2,3,7,8-Pentachlorodibenzofuran	1,2,3,4,7,8-Hexachlorodibenzofuran	1,2,3,4,6,7,8-Heptachlorodibenzofuran	2,3,7,8-Tetrachlorodibenzofuran	2,3,7,8-Tetrachlorodibenzo-p-dioxin	1,2,3,7,8-Pentachlorodibenzo-p-dioxin	2,3,4,5-Tetrabromo-6-chlorotoluene	2,3,4,5,6-Pentabromotoluene	2,3,4,5,6-Pentabromoethylbenzene	2,3,5,6-Tetrabromo-p-xylene	Allyl 2,4,6-tribromophenyl ether	2-Bromoallyl(2,4,6-tribromophenyl) ether	Pentabromobenzene	Hexabromobenzene	2,3,4,5,6-Pentabromobenzyl alcohol	2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	syn-Dechlorane plus	anti-Dechlorane plus	alpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	beta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane	1,2,5,6-Tetrabromocyclooctane	1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	alpha-Amylcinnamaldehyde	trans-Cinnamaldehyde	Citral (Geranial)	1-Fluronaphthalene	alpha-Hexylcinnamaldehyde	Lilial	alpha-Amylcinnamyl alcohol	Eugenol	Isoeugenol	4-Methoxybenzyl alcohol	Methyleugenol	Cinnamyl alcohol	Benzyl alcohol	Estragole	Benzyl benzoate	Benzyl cinnamate	Benzyl salicylate	Camphor	Eucalyptol	Coumarin	Limonene	Isomethyl-alpha-ionone	delta-Iraldeine	Safrole	Cashmeran	Celestolide	Phantolide	Tonalide	Traseolide	Galaxolide	Aldrin	Endosulfan	Heptachlor	cis-Heptachlor epoxide	Endosulfan sulphate	Endrin ketone	trans-Chlordane	cis-Chlordane	Endrin aldehyde	Endrin	4,4'-Dichlorodiphenyldichloroethylene	Methoxychlor	4,4'-Dichlorodiphenyldichloroethane	4,4'-Dichlorodiphenyltrichloroethane	Tris(4-tert-butylphenyl) phosphate	Tri-n-butyl-phosphate	Tris(1,3-dichloro-2-propyl)phosphate	Tri-o-cresyl phosphate	Tri-m-cresyl phosphate	Tri-p-cresyl-phosphate	Isodecyl diphenyl phosphate	Tris(isopropylphenyl)phosphate	Tris(3,5-xylenyl)phosphate	Tris(2-butoxyethyl) phosphate	Tris(2-chloroethyl) phosphate	Tris(1-chloro-2-propyl) phosphate	Tris(2-ethylhexyl) phosphate	Triphenyl phosphate	1,2-Benzanthraquinone	1,4-Chrysenequinone	Hydroxychrysene	1-Nitronaphthalene	Hydroxyfluoren-9-one	1,4-Naphthoquinone	2-Methylnaphthalene	1-Methylnaphthalene	2,6-Dimethylnaphthalene	1,3-Dimethylnaphthalene	1,4-Dimethylnaphthalene	1,5-Dimethylnaphthalene	1,2-Dimethylnaphthalene	1,8-Dimethylnaphthalene	7,12-Dimethylbenz[a]anthracene	2,4-D butyl ester	Chlorferone	Carbofuran phenol	Diazinone	Dimethachlor	Alachlor	Chlorpyrifos	Fenoxaprop-ethyl	Atrazine	Malathion	Metazachlor	Metolachlor	Methyl parathion	Pendimethalin	Phosmet	Terbufos	Terbutylazine	Trifluralin	2,2',3,4,4',5',6-Heptabromodiphenyl ether	2-Chlorobiphenyl	2,3-Dichlorobiphenyl	2,2',5-Trichlorobiphenyl	2,4',5-Trichlorobiphenyl	2,2',3,5'-Tetrachlorobiphenyl	2,3',4,4'-Tetrachlorobiphenyl	2,2',3,4',5,5',6-Heptachlorobiphenyl	2,2',3,4,4',5',6-Heptachlorobiphenyl	2,2',3,3',4,4',5-Heptachlorobiphenyl	2,2',3,4,5'-Pentachlorobiphenyl	2,3,3',4',6-Pentachlorobiphenyl	2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	2,2',3,5,5',6-Hexachlorobiphenyl	2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	2,2',3,4,5,5'-Hexachlorobiphenyl	Praziquantel	Mexacarbate	Aminocarb	Isocarbophos	Acephate	Carbaryl	Mevinphos	Dicrotophos	Monocrotophos	Dimethoate	Dimethomorph _isomer1	Dimethomorph_isomer2	Vamidothion	Temephos	Methomyl	Ethiofencarb	Furathiocarb	Methabenzthiazuron	Methiocarb	Tebuthiuron	Iprovalicarb isomer 2	Propham	Propoxur	Pyraclostrobin	Thiobencarb	Isoprocarb	Linuron	Metobromuron	Monolinuron	Pirimicarb	Siduron	Bendiocarb	Bifenazate	Carbofuran	Cycluron	Diethofencarb	Diflubenzuron	Fenobucarb	Dioxacarb	Promecarb	Fenoxycarb	Indoxacarb	Iprovalicarb isomer 1	Ametryn	Azoxystrobin	Benalaxyl	Benzoximate	Boscalid	Butafenacil	Carbetamide	Carfentrazone-ethyl	Fenhexamid	Flutolanil	Furalaxyl	Kresoxim-methyl	Mepanipyrim	Mepronil	Metalaxyl	Myclobutanil	Oxadixyl	Picoxystrobin	Piperonyl butoxide	Prometon	Pyracarbolid	Pyrimethanil	Pyriproxyfen	Quinoxyfen	Triadimefon	Trifloxystrobin	Zoxamide	Secbumeton	Fenazaquin	Spiroxamine_isomer1	Spiroxamine_isomer2	Amitraz	Tebufenpyrad	Fludioxonil	Terbumeton	Rotenone	Enilconazole	Acibenzolar-S-methyl	Bupirimate	Buprofezin	Carboxin	Ethofumesate	Fenamidone	Fipronil	Flufenacet	Mefenacet	Methoprotryne	Metribuzin	Prometryn	Propargite_isomer1	Propargite_isomer2	Thiofanox	Cyazofamid	Ethiprole	Pyridaben	Thiabendazole	Tricyclazole	Simetryn	Sulfentrazone	Terbutryn	Bitertanol_isomer1	Bitertanol_isomer2	Bromuconazole_isomer1	Bromuconazole_isomer2	Cyproconazole_isomer1	Cyproconazole_isomer2	Diclobutrazol	Difenoconazole_isomer1	Difenoconazole_isomer2	Diniconazole	Epoxiconazole	Etoxazole	Fenarimol	Fluquinconazole	Flusilazole	Flutriafol	Hexaconazole	Nuarimol	Paclobutrazol	Penconazole	Propiconazole_isomer1	Propiconazole_isomer2	Tebuconazole	Tetraconazole	Triadimenol_isomer1	Triadimenol_isomer2	Metconazole	Triflumizole	Triticonazole	Ipconazole	Fuberidazole	Fenpropimorph_isomer1	Fenpropimorph_isomer2	Spirodiclofen	Spiromesifen	Spirotetramat	17-alpha-Ethynylestradiol	Bisphenol A	4-tert-Octylphenol	Estrone	17-beta-Estradiol	Progesterone	Testosterone
+Perylene_2H12	1.0	0.9166412882770913	0.9597373232066215	0.9131625203006809	0.9188888060177415	0.9135105403701996	0.559511292783136	0.9265113221085375	0.9242944628157075	0.9498757636655144	0.3511680562563606	0.9221415224231364	0.6008907030196448	0.9261393914277156	0.921885470076478	0.8967966822101341	0.9294679410190457	0.9337424206360716	0.9134087286129458	0.927933250811539	0.938469744860909	0.9262451572947892	0.9077733888064904	0.9434976142457332	0.9269827212435056	0.0038981395433715323	0.4479128632820097	0.2872625995516296	0.22719658015986072	0.24963376161761272	0.13182640031235732	0.20164952721673868	0.32262110093035173	0.7464011702040245	0.5166602600000427	0.9034361486913145	0.30870126936542186	0.14348730448337757	0.022012527447371068	0.5209204812600344	0.1497934942938255	0.5737559723721629	0.06371592567957358	0.0	0.0043759629432341	0.008069149284497817	0.011251597850071045	0.009391900642756546	0.008844273999667874	0.43444708301764007	0.3244656839657205	0.12308218361598282	0.0011026264273038809	0.0068480733665679284	0.27925913109689104	0.5931171885581866	0.288133423459747	0.4032913627679612	0.2661299247011747	0.07708698750351145	0.20023568181652324	0.3599258901710048	0.4741137659623163	0.46451621645397667	0.2818231226216113	0.378966319029704	0.3990278870085506	0.28697605542809895	0.28500877326346213	0.2832933201964729	0.26685050741648736	0.19112486889069016	0.002423235175910709	0.019721226966843742	0.030655472499634222	0.027348057943597025	0.0031636530580891544	0.0	0.0	0.06118714439881976	0.0031758127227500535	0.002941936247653361	0.002102252236436942	0.0020051434867278412	0.023990749334194074	0.006891657259492042	0.02849615727088484	0.0327683690861957	0.02360065221755977	0.004162554252129082	0.0022183136609299605	0.0004873401872240839	0.008342060425440877	0.0033164402229548216	0.0035876623490744782	0.02753682099712156	0.0020326651119653176	0.0064540722662414915	0.007486936629404286	0.0256809528802443	0.036695058860562034	0.010022260582200765	0.011644914690565972	0.03825186892252824	0.03298453657003804	0.6124513941000884	0.6229964949395804	0.6362623982293336	0.6512524759188526	0.6996968280250058	0.6561874806406353	0.6013140298000001	0.7013779934898774	0.6867503817282742	0.6661108156341298	0.17791954140548696	0.1586858586171032	0.14069195005702353	0.5405531804919522	0.07245043277341899	0.03851645645447683	0.20593494644299837	0.5606464812939403	0.00430416475627469	0.0021249933816709496	0.002070002054660714	0.0017637722545828182	0.004179575983505431	0.003976087352922778	0.01169538775577439	0.012562306060015339	0.023053610357509333	0.21781989932183662	0.028165633759299286	0.9229504819437464	0.01779332896596812	0.06108738966282499	0.03408613628710802	0.6527431196557858	0.748061596222929	0.31811147478105495	0.6063868648019652	0.10595790569365181	0.2502859797901205	0.5224362793568538	0.04818827017290713	0.028427439372457435	0.027567165755113796	0.06859704589512808	0.07102551936070103	0.46072927580809186	0.042915197491723685	0.013703448270627881	0.0016837981370161478	0.6041168098445956	0.32276804924110536	0.35407437673832676	0.11984010847792885	0.14855655812129884	0.060870106984495576	0.15530066623963937	0.013413885991842475	0.007885596865319082	0.018858312801429557	0.017551692066615297	0.017117625120015592	0.02850319987707089	0.011242796977282574	0.0192186906567145	0.01656605744875697	0.02046422564837537	0.11742417555524787	0.03386269246609872	0.0	0.009739929785531011	0.12320875986221443	0.0042542092241887345	0.0009275807684809085	0.32137834566585616	0.7585125238086129	0.7497071333143496	0.0030573311092864154	0.351363306415736	0.8318008647624917	0.0037000728055398588	0.0400561047794127	0.019724737326125452	0.0	0.5429996756227149	0.6315088528856817	0.7089438584586646	0.6889421574703269	0.3044194735980222	0.6926937615245143	0.5654860416855381	0.6599268498274246	0.6436739976827033	0.6782972864380935	0.4839335602439753	0.38674087789162875	0.7401133996734377	0.42308970841116933	0.6197597286251908	0.69167915840942	0.09475691335014069	0.9295187903647856	0.6241297670078262	0.11839535748929338	0.017696541395117647	0.048354404934914365	0.07030132679286168	0.4897563071173949	0.26005621950823327	0.20267702416530495	0.03788254427204874	0.3637972302905323	0.43129903774641887	0.07935086044462837	0.004405415104014027	0.0402384169181862	0.11781030925184857	0.01686905026209651	0.04563985044416301	0.7513327810198344	0.6662317982425312	0.4384856293521075	0.5978142587594828	0.37382981691673345	0.5043507146861804	0.20118838634978697	0.20949080963770345	0.18511653870192107	0.32892383125740376	0.4115691716383306	0.1132810252619536	0.24268522789397395	0.2046665290334008	0.23835725864008908	0.2786520374605804	0.24962903303934147	0.27241741359360916	0.059502040495399915	0.035356711992262	0.018700869418921844	0.05617277863802359	0.010824581707986466	0.0060737483224225595	0.011135989965595455	0.025589015986564025	0.0015252340320940218	0.17389916051376483	0.1751841681000355	0.001255332106203579	0.7625859622498443	0.03558838645910732	0.0400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+2,4'-Dichlorodiphenyldichloroethane	0.0011026264273038809	0.005238034838891216	0.0028255701036697025	0.09183773522392198	0.09443002558770636	0.02554086202304988	0.010027494804372723	0.10682433407922588	0.10967668301863139	0.015547318655360527	0.033898554613350375	0.1303077385738826	0.00606504034013514	0.008600893455366382	0.016243023724573258	0.016370741620757752	0.002051039993205263	0.003909990654879975	0.005528248517987324	0.004688640802740175	0.008758318821018369	0.010181751624835192	0.017954815041469965	0.004232364962360494	0.015386519214544892	0.04862677584229601	0.010752928377342917	0.24873078983035626	0.03392757915808983	0.011436509317395375	0.03281089457654198	0.00145184532435494	0.07642257759589942	0.06641632205397419	0.022813057172020486	0.015261362445597348	0.10963441662871404	0.002307969226057392	0.0027915894162313035	0.015184288038566354	0.008419146730573134	0.004790022255120743	0.02985160774728503	0.00012842615146365025	0.05138677453477807	0.1629643197737455	0.16560901179322415	0.17705004554720477	0.14741599455988325	0.0015381717027010825	0.0022101112641571235	0.039627423798420436	1.0	0.9834936651834758	0.02694278477252796	0.004152384581444912	0.005752062616506403	0.00663043109357317	0.0007035630027838437	0.009427454194013682	0.000474487144205493	0.0038722590442379396	0.004405726399313631	0.0028533242182055803	0.006174713236597733	0.005180725210630658	0.005004283116663831	0.0006898443109038156	0.0007335539025682667	0.0006720208903792928	0.000402604149966226	0.00041250837895510505	0.00947801970779773	0.003170903072660802	0.0072647030610953345	0.002640157435232874	0.10165744213042485	0.0942336518284733	0.21851204451666392	0.015373550522561204	0.05612072672163681	0.052697743143154605	0.007612646697951022	0.0040840994046271685	0.09283405823961464	0.08396915096025225	0.014525253767759384	0.01673714034494698	0.0194035574935236	0.5905397871796036	0.017341807002552657	0.06051353385302249	0.09475684787489462	0.06292317879885338	0.06850205895721291	0.0051160172702211185	0.005691162648240336	0.03315819210020274	0.0917189879608707	0.09893989629420978	0.0975086057982887	0.1399833860425962	0.16658349024236652	0.03825942031102204	0.15340220396631163	0.04738594756160167	0.06322321517641095	0.05204898458235399	0.0675952921968718	0.037326981623198086	0.03290570971833697	0.029722962787946044	0.043470754926658486	0.054185413306028773	0.041358881405530824	0.0026960075675123364	0.003275413100757531	0.004138435908264453	0.008659656644687154	0.10613951103254465	0.018463841569892784	0.0005535143713051427	0.004682464678665661	0.016285064648905157	0.0018899075767035156	0.03167370227642716	0.03306531757458452	0.0	0.00835454364146006	0.0023754497693090904	0.10003220684145465	0.004147304091268134	0.003255753725925405	0.0064374136155858465	0.003819105779248649	0.1181250260183998	0.035464901506352335	0.09114384448237425	0.06969331466820047	0.09945279037618747	0.011585978762133827	0.0998169121067088	0.0029794866330292735	0.0002805352958730381	0.0011879094540716492	0.04027154794309693	0.050461328173389816	0.08349923923863099	0.002057472944180037	0.014452976059689426	0.00034760513575291305	0.0004836061224236146	0.04595900376424968	0.02050130156818009	0.004709600120887857	0.07617536273202706	0.026174960492248326	0.033366609279273665	0.03814652117183323	0.051318488688354987	0.06386646067004899	0.1198493886510676	0.016241963638498533	0.22451454081657743	0.06386033482604266	0.056249003891714625	0.21215205113972982	0.053804288294295025	0.05567649529363869	0.06841394848271841	0.08275464501191267	0.04086578927184239	0.03937823827855115	0.9768621323814596	0.9669401928579342	0.0021315613048868303	0.013699204661396899	0.021871368034371633	0.27861638258745086	0.10727958204244438	0.07661633743840324	0.004523946877823854	0.01915434554225787	0.01666257557158826	0.062064732253068064	0.10543306947849027	0.07509259936204281	0.010360509786321413	0.005407608971749024	0.10425429341899675	0.09676859579040363	0.026305866411073537	0.00799166315053868	0.007604320429993495	0.01330464947911422	0.0019083725853224008	0.001833549460272432	0.003724397162729336	0.0038997954587894016	0.002626526511627074	0.0049089747768349705	0.010423401689805255	0.003956309221327393	0.08239611614465453	0.11248163029481244	0.0010945924571658077	0.07124439526073857	0.14906901501306344	0.030143340433163475	0.10581727101870034	0.0628974270903843	0.053199808978191106	0.161251871072654	0.011288270663449411	0.08474861286745423	0.05022564531651219	0.22687786210598188	0.06871114575833384	0.0025108457992305154	0.023240922311185082	0.050504027592906266	0.022718316579285927	0.002536235668908583	0.019009093535170246	0.023196018527145403	0.007106192460003357	0.0048419907705526035	0.0038532695924351173	0.0031576631080533187	0.0005682811664424639	0.0005911370699220587	0.0006353324294202727	0.0014148547285383337	0.0009202938192899432	0.001124378579524464	0.0005772433148010223	0.04708805696098765	0.04445975254657299	0.03606659875576928	0.000606742911587223	0.04851811325862337	0.3423920120554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+2,4'-Dichlorodiphenyltrichloroethane	0.0068480733665679284	0.010939122976560875	0.0066092893868742964	0.04786567281553296	0.046282671913581784	0.006336817274489352	0.010361236619674514	0.07919714572047407	0.07823694063274611	0.01134270677392885	0.028056209437293943	0.13002743319585094	0.008540322671846658	0.004818071220070424	0.01337146762072578	0.012594868475536916	0.0024212397617934464	0.007557784066805702	0.01090036424846729	0.009076306831506781	0.008297245224029628	0.010593086803713972	0.013268733721882506	0.0061657139073635955	0.014235011870193942	0.03920076728257286	0.020143754633328625	0.21008523214446925	0.01622868540900813	0.01642469365855395	0.02463139677424634	0.019805553947793094	0.0963145548396933	0.06657945637112335	0.028211502852212102	0.0020510125936567918	0.057754105584019576	0.0012044838163923343	0.0012181871917470886	0.0033080163536706466	0.009540687714834283	0.02882851745416573	0.032507252488061626	0.006417076481578393	0.007312212193603594	0.006480862001621794	0.007615162089979033	0.006710861727886768	0.0078436751777865	0.004410377738441857	0.002602329963104224	0.17934091525321535	0.9834936651834758	1.0	0.013968536844142218	0.03025712093111816	0.01085102490285342	0.011082172992244451	0.0017487167515047356	0.058441097752361636	0.0023698910552226032	0.026255858428713096	0.021887484161312008	0.013322219816528869	0.011673755166526927	0.008123179446480434	0.007992978084273603	0.0018656289869292395	0.002804239771171764	0.0018488266362267551	0.0012057167197464028	0.002524876298405312	0.008019707477406633	0.007466517126876357	0.006995819134297914	0.04057956169211516	0.10162687944386105	0.10892895319417778	0.20670276023812448	0.011664215783091354	0.05630465307265046	0.05312410151025947	0.006559020648782592	0.0035235314656594523	0.054435463321187004	0.048524445178509956	0.005884401133035125	0.01000653024127052	0.020946441696070562	0.03172533822502711	0.009979912299663453	0.04590610903563103	0.10838050032501274	0.06330852406647046	0.06979064289981013	0.015298648680944707	0.011105685424025274	0.0628066072156238	0.08936646526431707	0.1241745901974281	0.10901401379712301	0.11392785771996021	0.1357866640118849	0.03785628932890474	0.1299653594702768	0.008125606846541707	0.015056057192420596	0.013576461894080525	0.040612354543533395	0.0077986886615539685	0.014718823901720671	0.005644141309215089	0.009801106079136276	0.006857069591125903	0.006345154591213525	0.04538183000538224	0.0567460630033427	0.032210430664530304	0.034960012426630264	0.10573103818829287	0.10656393571116456	0.027995765268859014	0.04273147572932268	0.020402276449775488	0.0033625718580170567	0.03384120800994196	0.03387045558566073	0.030438569135724167	0.013759399782574316	0.015350394488767752	0.10302299164853287	0.001646380496577238	0.0015231222406825826	0.007817900584814387	0.0033946503479416867	0.03552818719239715	0.002251654078480792	0.00471612067282128	0.07340060102114038	0.08471413732874505	0.01375759235749911	0.02990134738887263	0.005796454888383604	0.0010005652500339611	0.0041531641916439715	0.03978983676248904	0.012857333895201061	0.0006627170756233416	0.006775253469493473	0.006788746188026315	0.0001848198696026544	0.0037927669426383623	0.010063051994530269	0.018731569392445257	0.01065615052482628	0.040167752996555145	0.008820903174934008	0.006632545620026097	0.014563236107184173	0.00931473443033922	0.023641421398282132	0.05405433271491588	0.014514894183833449	0.035658241516194046	0.05668793561253714	0.05776533938869038	0.054980337436346116	0.04429106282346902	0.0507079193401542	0.050697631935087535	0.08825942162218271	0.18023157042034835	0.4968972306064183	0.9807979077378133	0.9899021622371952	0.0006846076255530606	0.01830410825756676	0.03396129000182784	0.25806784883403805	0.08822618596664249	0.061562740985972655	0.009249121506610895	0.01632914720081635	0.013373185067630411	0.04103308497482382	0.03986487692449066	0.047840834127074225	0.017602241630482053	0.002678788121106089	0.07987956700084214	0.09211702304604272	0.012590245605324854	0.02645316780562157	0.009672500494851454	0.008934986783220786	0.0012963302658831725	0.0011994744942508246	0.007836253155156823	0.09118508961993026	0.006669083004182251	0.025249368015903644	0.007225757682190944	0.013070665685935479	0.05920219284312315	0.02554504457369714	0.0037598218849044245	0.07857773316826826	0.07822310373490939	0.03646806640727537	0.05248380454729904	0.032484949123103006	0.02371670370985162	0.12293972027465344	0.009927887284139186	0.026865010705078986	0.13807872932128118	0.046913622500126886	0.01657285416561884	0.3977502815781346	0.003045520897049386	0.05344170438736051	0.024024489178850448	0.1241054634403225	0.009986811753763723	0.010592724555427403	0.03597928177526057	0.025468642665630845	0.0180050376717792	0.010844149656349127	0.002377035066563883	0.0023322256368310985	0.002541060084173391	0.0021380722001911844	0.0017365043418064424	0.004982520999576809	0.002057561095337	0.05807360274261458	0.05420910105046725	0.04691469110637792	0.0018907875724867873	0.030551639367810367	0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+2,3,4,5,6-Pentabromoethylbenzene	0.14069195005702353	0.13238490599983382	0.09328140471999133	0.13882779242852888	0.13177837236884632	0.1368856677513807	0.3515598693446884	0.1501494009809657	0.1579679400462995	0.15617834668591915	0.13009262407516686	0.12199897105830333	0.39105252523581724	0.15262373967182238	0.1475181168059204	0.17682151234636712	0.11164456112140592	0.13002175137465952	0.13871655803077623	0.12866222003481534	0.138600171949285	0.14658748375304237	0.1406454637598471	0.12709093723814163	0.1404708267458987	0.010649502012381372	0.18989150733872054	0.06211651759731946	0.1047743630030514	0.21386469210768455	0.06704385385612559	0.07812813608022956	0.13300612457113747	0.352611022675386	0.08832012365573143	0.11891491578000708	0.06200140409421264	0.1437697201042748	0.0009561248328517459	0.09584686430074389	0.039059732923309096	0.12519344586435857	0.06353249839438985	0.13945459934877943	0.033997069710662874	0.03348627956148918	0.034204253721376296	0.03341688202819725	0.03467168673769028	0.08904526723546552	0.07078342204126424	0.025516523025352674	0.004138435908264453	0.032210430664530304	0.10432786292093095	0.1253001986581744	0.07080484804716909	0.08767668947500563	0.0654871239801699	0.12786068425261554	0.06667546191696919	0.07164465430147349	0.08626437808346217	0.08020809855586292	0.07168733207767872	0.0722098771140764	0.0875559711991621	0.06904284813733387	0.0682249670115491	0.06922487081674004	0.046073489060299885	0.05809323998305933	0.041773263322586164	0.06711762715244585	0.01052092030167777	0.009687107244862709	0.002188702212302996	0.0012545648336408	0.0004644001124789116	0.006253055273571972	0.04724268686088041	0.042283146365012014	0.0021182348932322053	0.0022519965036344783	0.004539136215971488	0.0012658201477066964	0.010564739452864238	0.005930475491876269	0.030721849447642766	0.043150005238613634	0.0015702582558837818	0.010797595158413217	0.052027639725836815	0.012772574215743055	0.015670073622581146	0.032831539630086226	0.02462684700955039	0.009394756853794536	0.028033729306537334	0.030813650098098253	0.03683533145563672	0.023015020185690408	0.027470584363746036	0.01668202147559678	0.030576565816579852	0.1521615394106079	0.14491826020396784	0.14669639278424942	0.12446848932353927	0.2219877716968322	0.11607979661085727	0.1613499636389934	0.11391216918466213	0.13154192480400737	0.12106094265007897	0.6384185495985146	0.6716915213976146	1.0	0.22141103830401448	0.3233484488884311	0.10926149986267154	0.6626498314376049	0.18020812449861875	0.22624908518686115	0.17733927345526854	0.012644162821115449	0.013020773565197801	0.10590903116034323	0.003747576119542332	0.0019024993022681682	0.046917873677819064	0.023559592875818106	0.3551172335673294	0.04469734012783267	0.08796079479573055	0.1013208359333725	0.06450724172825596	0.016133273270058732	0.07461791393814646	0.10225525345689027	0.17325929900616505	0.08362949286963965	0.08117568087240638	0.13381099230388033	0.276505670950565	0.08498188444114682	0.019731638829102366	0.02380670779169589	0.007766039647481847	0.0632879653695855	0.04919269379297544	0.019785823429473624	0.007617351348700823	0.40954450514442176	0.1275666162051834	0.09065489398357796	0.12061031027015251	0.10903941118618232	0.11108294319812986	0.06682651746980597	0.11038081012513382	0.08801057617970612	0.05148062162711956	0.055521261611392946	0.049485571257438236	0.07686709555039993	0.06989434136777373	0.028278015103132197	0.03533553436970824	0.04178448426654443	0.07732586900625281	0.25074294419283855	0.005888284522171379	0.032325226512133994	0.029904379610528255	0.17366520043080477	0.05230447616902382	0.24488482085138163	0.0640317643418642	0.29751845643491676	0.30883450988584793	0.0001221012143233854	0.060434626254389695	0.17555254299204673	0.0429804495286652	0.021984171240240304	0.09666490121290951	0.045279297698313535	0.3618523026254167	0.15429772751550638	0.12261482278215659	0.08248725192406911	0.12192679806367247	0.06592546619726555	0.12132665546124004	0.3348985734326164	0.33809881066111985	0.23078674439516642	0.18410078710378996	0.14861625082074995	0.2534517288509322	0.17065166710955934	0.2213674670977058	0.26181990330096694	0.21787895470408364	0.13114035836488058	0.10597310638837971	0.020871453130936548	0.06463484149539613	0.05487745211195225	0.09405589286976987	0.06272226224619006	0.12198388258396302	0.0694653214119425	0.0029395965212502644	0.07267329132729969	0.05464687615348926	0.007926503917164724	0.005111838346938624	0.01599498518094564	0.08654118490811694	0.0017811562744767533	0.3259724175006234	0.08956928358602977	0.08513390652682987	0.09791565994490457	0.13030131070358236	0.07782735643289314	0.08925570203425212	0.06531666656963317	0.06649395674012373	0.06510679903753018	0.08043475563990346	0.09039888025615309	0.0596286196322879	0.06317549903695895	0.08269192605675256	0.14949605508371325	0.09996619769520071	0.06283817693437665	0.022846868934201466	0.006619045815210061	0.0023910307701207646	0.003588937983478347	0.10313485661716336	0.001780687595558338	0.07018027223989946	0.0059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+2,3,5,6-Tetrabromo-p-xylene	0.5405531804919522	0.6185426483436647	0.5587327687871598	0.5961105404451843	0.5981215187174186	0.5854719810876368	0.43721148987933306	0.603996193428559	0.6046831423139586	0.5835034672950435	0.1966662040062292	0.5929737421512734	0.3473042493376911	0.605588484963038	0.6195244887780406	0.6258038141950237	0.5788648960192689	0.602062124265799	0.6206579154639476	0.6067717094041327	0.5790511686544535	0.6030451543967532	0.5436317495438925	0.5785197855711778	0.5813488773679109	0.007644217493960248	0.2519892095017182	0.1691517554746272	0.1310619297453102	0.14191684893776613	0.09382504518767854	0.39933985669778616	0.31378948205444396	0.471272238134284	0.4876233039246876	0.5065341588000002	0.16894603037480585	0.09952745767860446	0.009488663481394592	0.5553380539492333	0.24639128973280458	0.540274391334581	0.23045119889585286	0.08500994264306559	0.07986167458896717	0.0849773024055147	0.08408760931733153	0.08308650084572176	0.08669222683440456	0.5397495242937382	0.44931181535059445	0.13252771950249959	0.008659656644687154	0.034960012426630264	0.4686566176388639	0.5642216658684791	0.3714657306026396	0.48578387115001737	0.3630432060051239	0.11600692458298589	0.297538702575097	0.3906196667815714	0.5002799899985774	0.4885734644671777	0.3423488557082317	0.46146339779391277	0.48262239115223343	0.3927587577889871	0.3765983573912382	0.3916439247279485	0.3918103904305528	0.32304581946236344	0.05768600043632284	0.020134440743230016	0.01605324135764048	0.015932613765155028	0.0040876520440636865	0.0038887104314092842	0.000967037468333477	0.01032177373774013	0.0838507875640059	0.07481373199489931	0.005435548078484714	0.007507046858414392	0.016155701018685183	0.0030108999092062225	0.014039217099978293	0.017250444158067858	0.027800260467159676	0.0160126346916725	0.003364183864778801	0.003135202738075656	0.03999039409559953	0.013234546778936051	0.016295300849517587	0.08267859001817046	0.019687199365222733	0.0065993472518341	0.03331314464639513	0.025652545566929846	0.04296337572824972	0.03104466292578881	0.031593344271348016	0.040584195006960484	0.01695705142621629	0.6837653975458771	0.6461655741932474	0.6815448187015197	0.6801337420237001	0.7656056447645193	0.6967024392677799	0.7012166567064346	0.7049953872231732	0.6909350482822897	0.6753396421827964	0.3121260856748894	0.34579247527141826	0.22141103830401448	1.0	0.18751755041573784	0.18924540265051676	0.19620341313922549	0.8085675350368919	0.04751608483072471	0.221480399318824	0.01958502217344777	0.01652242226540259	0.10585590846561041	0.004235850117112968	0.003330385436650159	0.0926151598111714	0.0369439434487369	0.13245571933444455	0.029857663629248413	0.5380698763704106	0.10730049858471241	0.03755214697253333	0.044306806667548895	0.3926650463623038	0.4510887911243082	0.19057690264764987	0.3756584018157397	0.10017053772187484	0.1509405686328854	0.31650859537065285	0.058936663092051984	0.05496015777253667	0.08528638602685565	0.04418579149848138	0.050066898650595174	0.26305466009894607	0.03946157004460767	0.02617757297050814	0.006106292467852149	0.3506506630427168	0.19883755745474216	0.19658892163895839	0.06592573273899129	0.08798851262589069	0.3258395555935244	0.08500209247028388	0.15290136633905996	0.05075019076290705	0.08486459648322021	0.07435028245381567	0.09117497321795823	0.04114133414282779	0.05624064285539543	0.07890648397988179	0.0344549012608679	0.12182241898694274	0.07821949433716893	0.005999080143118401	0.1092532426563312	0.0356495210905944	0.07201181549774337	0.017475487417123143	0.02270349951541355	0.2008532025192806	0.42872225716442447	0.4199036836437202	0.0	0.20613569327027512	0.4813186825944067	0.02137952481973828	0.01143023697031676	0.019742231780881775	0.017194741491242962	0.3140138000595075	0.3647324420751611	0.42148600100567374	0.3898751542365706	0.1909883538513956	0.39324373760435344	0.5501399930792924	0.37433361270345894	0.36483016886763475	0.38604799867375356	0.2898346941914289	0.2258607266842095	0.41935773846376584	0.22883513945696254	0.3520354657262881	0.38497894600814175	0.0485922552602752	0.5331927284160544	0.3647841500471356	0.08688455063496557	0.005042822522411799	0.22685717703665056	0.074453159222907	0.31737186335536366	0.1758137250370082	0.13047264003361445	0.002590660275412256	0.2539270017514714	0.2568864724430069	0.020314449713260768	0.0027404761690799483	0.005664219906623387	0.07001187526322236	0.0011135491942407818	0.1965491449669957	0.5182131801506547	0.5408968790412865	0.4156212647989768	0.5742560959664845	0.404203684420074	0.54155605586606	0.29946858728120657	0.31617937969763127	0.2859522515219322	0.39958046573504374	0.49237776334372296	0.2145168094826114	0.3351157627612521	0.3336054458924803	0.3988042144857331	0.4187105990419347	0.34577168422526355	0.11255619054950403	0.03812716657977855	0.02257494399719015	0.010348579269033287	0.04629671070125694	0.0007711561384172777	0.0022111041853139606	0.00847708799154883	0.021814650122683847	0.029420425104132755	0.11247437629208089	0.11424583477634417	0.030458477632352574	0.4615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+Allyl 2,4,6-tribromophenyl ether	0.07245043277341899	0.056637364364725364	0.03773977806603635	0.061099790836218845	0.05828908637174805	0.06151351529385078	0.1599699572467584	0.06250761983138221	0.06579939338563066	0.06656655883790477	0.03599191628305947	0.058931007681022475	0.17474946751047965	0.06396860546534065	0.06319825777762358	0.0756219767494317	0.04784181704407153	0.05594547918237369	0.059308289943135487	0.056406546850442905	0.061746432961837336	0.06127505354695189	0.07386201590210388	0.0545615733008406	0.07267773276531046	0.0440364563004679	0.10653689088624425	0.08977449727576216	0.04475429692102168	0.14435843703685353	0.018836219299926682	0.3842533965835803	0.12355438354992264	0.14725567685415236	0.2389364579334109	0.07372822389392729	0.10539650603045592	0.023537108910281546	0.05354542724696097	0.03278784478793272	0.3211280667387434	0.22270325719030715	0.18895401861048577	0.07461923366004664	0.02116914831577949	0.014778360481695414	0.018052455833849245	0.018992681418738597	0.01677323763419775	0.18298595766442913	0.12190374295715767	0.46500932682555574	0.10613951103254465	0.10573103818829287	0.04224846985955159	0.19435267737664227	0.3675624599214373	0.21130577232050063	0.3043299376159752	0.20368183047706429	0.3412626901455462	0.3097016272071773	0.25469863597250614	0.26805411424339515	0.40487581266372075	0.2374030933263107	0.2086320744690409	0.27361604372363385	0.29997866493212716	0.27221031386368877	0.23813945777265302	0.2856095193058794	0.031315922068458915	0.04833596109417436	0.03914995182129524	0.03566243738686325	0.0179626993380507	0.012114850487800564	0.04195943494433301	0.018393929245713887	0.16966542291098952	0.15493992212984556	0.015284030756866195	0.014751248540607172	0.027528699857414254	0.01871689082072848	0.034735972986952086	0.041398877189956725	0.03893183711649717	0.12665497975364712	0.0086286253771976	0.005116445461790076	0.046576245162216943	0.008921980826277874	0.010067735099906808	0.09036483694871617	0.0164358592557695	0.021730564886705096	0.017117881494256904	0.026898067964685246	0.040172968069351035	0.01719088645840465	0.01942267660998548	0.027723031422534256	0.04665943170440051	0.1299038589360083	0.11338035769028529	0.1243830098893039	0.07220518418222395	0.04944993032019991	0.10639579810067272	0.0534433431807781	0.04741645355246036	0.04934645206464181	0.11083416400551033	0.48652462705326915	0.5126646550942392	0.3233484488884311	0.18751755041573784	1.0	0.6739672992656416	0.3567023184252686	0.14843548947569832	0.09059012471031176	0.028667144986623046	0.030438951707665696	0.019326159017087927	0.16602741692284514	0.015822897147368887	0.015321576406937876	0.051603332103223994	0.156250693738587	0.17830508492822844	0.16227389561149072	0.04205550844393999	0.09857422455068357	0.07398141673449879	0.04629208669086968	0.134452141193894	0.12043193255408122	0.1035944409227391	0.07039489836155156	0.2142816174139706	0.06028285091073476	0.17496887592998595	0.06547733346758133	0.0871620845094507	0.039456528414869345	0.08663623740070857	0.08318531000025416	0.03420414843635511	0.14614882981295613	0.033886221478423594	0.04574698004408617	0.13525281464157815	0.09004117422800238	0.04662542868139495	0.0170141338201592	0.02630089736347197	0.06531232243464342	0.036432098812779166	0.5103853550864584	0.05668638186126333	0.06739650285621361	0.17241091066992187	0.1543116477001667	0.158725722385898	0.1166674474239451	0.12105023249019534	0.1658544154397283	0.23854424210161074	0.18886149611545153	0.03728215529871942	0.09481947964446609	0.09772951160736168	0.01452433872807726	0.0177924142840565	0.05462413962029578	0.03574458344833268	0.13491670009217538	0.13948824185282213	0.00236349339146862	0.05772119627570121	0.07647350028844259	0.05158806261256662	0.09519300188604665	0.03213663192116207	0.018141295019368793	0.16757922735783437	0.07602079477705549	0.07855414218465015	0.04900237785083028	0.07738964911896251	0.038697051502903826	0.12802553009920895	0.14577037961984418	0.1466091780637829	0.11436415521081379	0.13612590791042764	0.0830684832447918	0.12919307733567956	0.09286154431185939	0.11189806132894355	0.06044082098634208	0.10135940653620497	0.05349429740654689	0.19573035423034735	0.03891101073147987	0.03351672313263949	0.08050870285382704	0.17563972810703868	0.05662553000887516	0.1505541899396045	0.08835228171552771	0.1313568025578513	0.043430120964531256	0.05007647632477371	0.06272820037910166	0.005366383509605918	0.012058929933394	0.01752761204255535	0.03680158911044536	0.5613731348896426	0.05518722157939874	0.19739684525956394	0.266021400693435	0.17604966330539648	0.28309779588109696	0.19028053407620044	0.32586180800311	0.3152246635268559	0.33063981282625654	0.23347159876954016	0.12361514145723912	0.24527121932970156	0.2887886061845647	0.19055065437350338	0.19181865087870933	0.2096252458795228	0.2974771086031931	0.03818942485886634	0.0634189285811503	0.043961690456036234	0.04540744367245279	0.05775289140545477	0.006131949068995897	0.0075692765826676466	0.023419003689900693	0.03829402725322305	0.06887843149927686	0.020388875507608567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+2-Bromoallyl(2,4,6-tribromophenyl) 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+2,3,4,5,6-Pentabromobenzyl alcohol	0.00430416475627469	0.009424452128430301	0.01219403549792076	0.006702081832443981	0.0059112751744416075	0.009021690435650678	0.011434981290701453	0.012022006016125247	0.012401932059545342	0.008248837200308666	0.05466448890873606	0.0065261595165559865	0.008072717951314924	0.005739483509526549	0.00879036182068499	0.009430328976875181	0.005531731974476066	0.0076100970754983755	0.009695647108775272	0.008164261439076368	0.005392617833331587	0.005944804856938285	0.01012257057125572	0.004001914329096438	0.03440572528284229	0.027094968668575373	0.023941419519413757	0.04869838960624251	0.06322691044065896	0.060379554084759916	0.04511527751771763	0.05623248981144288	0.07526667232903157	0.01964740916208163	0.026214584675972305	0.005040411926024771	0.05507792694837487	0.07623798344950272	0.0032548867879928166	0.0249877710939932	0.03660483679270937	0.01541191187685561	0.04791808698478725	0.025747192699595425	0.012262357273522585	0.008760562119023827	0.01046562507941332	0.00996361130610598	0.009796899504540914	0.02572514538163891	0.0329504355974354	0.009398990332301894	0.016285064648905157	0.020402276449775488	0.02370996900514459	0.012608391526746742	0.019329724430575457	0.014258086613804823	0.02254790300437842	0.025090593506410918	0.04815968083776777	0.014432751551682848	0.01602724869457093	0.01115142172572199	0.02160408179980525	0.014775237284894601	0.01493809290251966	0.020501811676557433	0.015541331577181931	0.020962956439831582	0.011777021189728903	0.03673160160065266	0.01936161195516636	0.024518027372892905	0.04811790863214654	0.029771185278717905	0.008728069908652039	0.008301984713432728	0.021895455761298425	0.040026578322620944	0.027349893004651172	0.023681663930256214	0.020819715175292887	0.019470628614303948	0.014996987765673412	0.01285809673834077	0.01870836489324554	0.016766339931462232	0.054980781907146004	0.03633265872288781	0.010021773150355965	0.004802289120991642	0.028132061541118483	0.024439724419784647	0.027810155705646367	0.02696935048162626	0.0156866525690896	0.026123406944190963	0.03658446262326601	0.049687313166271944	0.04575229726789696	0.028816020905335252	0.0415334791476045	0.03153587381554866	0.04985600684691138	0.11416976376435291	0.03353367364895772	0.08259763077034062	0.04010921135657544	0.02139672843166496	0.01758118592865748	0.1201387840597932	0.027410174739168614	0.01852841138531269	0.026524572078093816	0.0895221301170069	0.3328926456517814	0.22624908518686115	0.04751608483072471	0.09059012471031176	0.09510838715767334	0.10823489306579044	0.11994420256897839	1.0	0.07803148865431674	0.012912821280784477	0.015915787967561493	0.03714255181934098	0.031860701936984454	0.029193689396334693	0.05384650331114639	0.01548791133926372	0.00941267157117969	0.04928742325214156	0.00571784449303852	0.044780085940736514	0.04925743337262601	0.02145083309303055	0.04109422635487364	0.046556763511018465	0.0419116423143361	0.03057265594413441	0.021565727298206622	0.01891203107518102	0.02203343611195741	0.0444802441891419	0.014739048045225389	0.0020456982894000524	0.03836311990781907	0.055902678754392136	0.0043528111287081915	0.02073188286721903	0.019887179381809082	0.09331929796819424	0.02664867625517526	0.06935008889927691	0.05367961459939919	0.06492935247814545	0.06334402481538152	0.016928697457543954	0.06942563061135971	0.028466029113149462	0.0551426161416426	0.035870743449211644	0.05029090161076999	0.05198398842925188	0.09774634062368322	0.040247297843283035	0.04307715500535873	0.07189618632234052	0.10997268565153417	0.02625014697652299	0.00692602400651417	0.0301390464430609	0.02406015655054647	0.07075640547094827	0.0020867597582751463	0.06144927478530079	0.02240230226239	0.00815104184741388	0.009587320572132086	0.0009993937775742141	0.013863324518185963	0.025903128863347696	0.08396414891679659	0.016791377970561582	0.02302363223930066	0.004430541501757015	0.028658610082281204	0.012377355213256957	0.02692071734810355	0.010298399061677305	0.040809804334575844	0.006154964587365114	0.06716352121390733	0.007281331223400029	0.006235541172755561	0.05305739219129225	0.13426654069134916	0.06126404920228475	0.04790107176227535	0.05670746748926343	0.054298799740759275	0.05912085026843794	0.013693956341469	0.01012355057311791	0.05178786390407354	0.02726727046381159	0.021139051921528627	0.0248868635877688	0.02468966316994073	0.007365175251589271	0.08440242974504392	0.01085407727077765	0.025224584626779973	0.007930523600430199	0.024848708154832266	0.024775471629965348	0.005676792890143166	0.009282263094268517	0.07348419754021418	0.006590596703634155	0.08379903744604296	0.027698469102949874	0.019407042689565196	0.0213878289764681	0.014048407488483	0.01989633934306914	0.01261889148581335	0.056485568080717106	0.04534166306606567	0.05849315007402795	0.021482023864072077	0.015500205633417665	0.06820245075253735	0.021011230741407972	0.05976069787553841	0.0716567239865811	0.045946072075367196	0.01933927617239673	0.012416902220052924	0.029841853146816977	0.028389211951059874	0.01715936488446378	0.07617194005170612	0.008698989158311231	0.012408579498494821	0.024590724564393165	0.02826975404519318	0.010668969162014128	0.00753544206149035	0.00743472450628963	0.02670593668223297	0.024164756707825304	0.03258979170777611	0.017811996733395015	0.031371474886360065	0.00699240726148999	0.006831902587816934	0.07321681912898996	0.06996923421476337	0.004978010438420018	0.010892702337799673	0.005594857062771655	0.014001851490736907	0.11364609185858081	0.0836296522790351	0.010675326289633068	0.03950888656003556	0.021663510606889914	0.026059124110233776	0.025957592038124543	0.02170027876321261	0.03156654245195483	0.008970941400099325	0.02053055507615433	0.019396128186632597	0.08111744211227376	0.04815892703083853	0.011350060054776548	0.006654640785262833	0.03544987023171773	0.07003132621519899	0.045911559299046285	0.022769380584763566	0.01139089131896542	0.01591981274896756	0.019314296434145686	0.0007389347970291023	0.014983904173023078	0.02558058533338279	0.05392621262253288	0.00864756420618769	0.03842443441873587	0.0055069317996568985	0.011682478088412006	0.011619357346410874	0.05309221212109531	0.014996704898596263	0.020037323118977105	0.0233946090400095	0.012964469016640503	0.042425477771813526	0.03492668543966333	0.0047226248288198755	0.007657143690688874	0.008869170671191655	0.017852894949979478	0.009723104839948522	0.011049900140277609	0.029699541037290382	0.024616134212209123	0.01753639824471991	0.027981942458132316	0.027731456805408745	0.051538508376749975	0.053965792655110235	0.0554885418647524	0.02186940463090357	0.006460514466113689	0.036106602037133236	0.021383432820707777	0.05569050659641143	0.017755652076373796	0.057661492117530994	0.017153084837417003	0.006121554402325273	0.035736968468090276	0.02092328998975124	0.05664713541013727	0.09934167383765731	0.03326727836370033	0.021560411164091332	0.01006363289243744	0.01988644741535505	0.02068547077703131	0.09800576672482658	0.007011419115073392	0.025166506600148558	0.01758102439916183	0.05457344599728369	0.02754349556780488	0.034852955572569067	0.001968359246993745	0.036858095115894045	0.0025786259229116882	0.013324923815068699	0.0014666834111185557	0.001868910657242885	0.018222377031193046	0.018498848509197485	0.01243759266656259	0.017382104073673323	0.07753060874288784	0.02614107001678373	0.020772577354872045	0.02322772353334545	0.011115014967924748	0.006539672294163561	0.013476281840669313	0.027506414737089493	0.03472453305149274	0.0038884311509664077	0.038740920870166486	0.010173243505084063	0.024539754245864253	0.009758893591337806	0.025712227809380046	0.032359238216128225	0.04954726996061951	0.019759662887274647	0.018585044506523807	0.03812414659474944	0.016987850813989767	0.0008307549770282687	0.0022016864500317384	0.04421602403696829	0.012258453092918661	0.018446196411325173	0.03862068547146982	0.06167742389077657	0.008704417507986199	0.018221387069948452	0.02637271776625971	0.060104346930247556	0.050559231787096835
+2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate	0.0021249933816709496	0.0017077661637460036	0.006778349214978179	0.009591791684487682	0.009003396613270924	0.012490125132167889	0.004646355537611553	0.0005378633774799974	0.00051568099576656	0.0006832452916065428	0.0019599638104830833	0.0003932769845150397	0.0003978754142912035	0.005348762469010107	0.00258800035236553	0.0031175888614687034	0.0022258070935025345	0.0018608668736501172	0.0019856652224325704	0.0019958101103449604	0.000700421679113717	0.00039679223697688547	0.00477283646978427	0.0006888158237415959	0.0031198793421984695	0.05695320422018783	0.007670945592683368	0.03146310722365704	0.013267097974947446	0.07132696344852343	0.008391192103192762	0.0689793923564505	0.0158525787857936	0.00984325238867635	0.04508888795895434	0.0009692794066581965	0.03340815441031844	0.007921863507528293	0.010804051353316675	0.005659637054976608	0.019309977461443747	0.0026128790837042846	0.02499984175149298	0.005760044987743625	0.0010313485019400623	0.0006955976393657192	0.0012322835568287004	0.0009188113229050291	0.00180454725495804	0.005513038309595023	0.0007525062860269842	0.004660625953159185	0.0018899075767035156	0.0033625718580170567	0.014997059830351203	0.002010525094945975	0.00795155111102464	0.005997417490959773	0.01615184788525383	0.015261156671514236	0.011183694499754633	0.004926886072539316	0.00491721144531817	0.003595812185260815	0.008522094762322576	0.006556215877233919	0.00592316863524611	0.01776278811622909	0.016449188162401075	0.01753273680045974	0.01548745766839234	0.005826098845412586	0.1810660111915835	0.1986818050885022	0.10214996101044271	0.0858522781476627	0.021776490705275126	0.07976300970618937	0.0009887439728774067	0.050422268470356565	0.10328076972827323	0.10650179381107908	0.13097629701916605	0.12847858401596204	0.013183828479731714	0.004642827734379716	0.027503002905980598	0.022668951016536806	0.03443277398674802	0.01787068439832933	0.007858043488721447	0.0007829985942663138	0.014435925837586622	0.012797098413925732	0.012765355176136322	0.23839150667918652	0.2338063266359618	0.09753887884154046	0.025173320048566723	0.03214640689386782	0.04015115799699214	0.013107425908484537	0.02507523924659073	0.026797042956447813	0.03891637118672335	0.004823949191226214	0.013004645831554609	0.02650528136721786	0.028811826912641326	0.03791489118397668	0.007282011472454905	0.030652197947286724	0.007400915350574427	0.010856550881207612	0.015110432298447572	0.061097755498868936	0.01843718191694927	0.17733927345526854	0.221480399318824	0.028667144986623046	0.03977023916303635	0.21361662483029512	0.06287509917097057	0.07803148865431674	1.0	0.047082308639719433	0.04533386599954363	0.1382930695596805	0.1475112668760294	0.2030113884532268	0.016749282330939086	0.03965919994609987	0.013733928862157544	0.4208945695472574	0.00952574143672135	0.009921025052962476	0.025436692504535584	0.022350732386344833	0.05148902029936281	0.06722651282516884	0.07035557146815544	0.057268387565350715	0.07332370341343217	0.3608335368284115	0.03998294750474018	0.022917157763808756	0.025083596780036004	0.005002905253946656	0.12183075647985603	0.1920459469606895	0.0010113102073895314	0.20591695377868308	0.05398323234823586	0.014771235425346682	0.005329069855352258	0.05560494983162759	0.0012851100068276727	0.0008954665552858551	0.0009652888786998228	0.0006860801786488579	0.003534289545281225	0.07771603968796828	0.053837461450392685	0.02842985545753907	0.04179173561610214	0.041424088767084546	0.05801221910119197	0.030003229891990012	0.03093354859149491	0.03927838152149714	0.07142509421449415	0.014532063746055405	0.005082395440468239	0.014938090744503358	0.011765402226880614	0.000887052455495064	0.0016277165331817782	0.020981113486138677	0.01920897133266096	0.011223505418195154	0.024968783671792154	0.005293772339441301	0.018415339852126417	0.033612956310831284	0.02029146548583592	0.01292433515088067	0.01187294005518207	0.004343702630193451	0.00628917434207442	0.004000980949288996	0.045116233113037016	0.0026121066001485336	0.0031217348475232522	0.005478421691793814	0.004626535691287458	0.0011070258035980273	0.0	0.0027392851148945385	0.11702116840283451	0.0009551242292189821	0.061545122547662603	0.0019371036594039372	0.005752486873085687	0.005349306875241404	0.0014332408291656351	0.00021430268345081047	0.03307368653505623	0.021696972165015482	0.017922884951346682	0.018566802773987513	0.006924360303580114	0.007499861869232438	0.039274943566708034	0.04651527700120434	0.06555531232098774	0.007076400159424535	0.14992278674900172	0.04482696644999547	0.006802190440254635	0.013974414310274422	0.02694661541895516	0.001257513761087248	0.05465618999419152	0.010005889677187794	0.010165256181629565	0.004900222099527207	0.0031174097138007943	0.0060904374413619814	0.003910486112269934	0.01391241070871659	0.010822155199227832	0.014650671883054713	0.008378203869481548	0.0057636689872174705	0.016061872765030856	0.016248945779420845	0.024131325737395314	0.01932265115779045	0.019210208073648857	0.016319338174086283	0.026871257291272037	0.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+syn-Dechlorane 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+anti-Dechlorane 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+Cinnamyl 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+Benzyl 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+Benzyl 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23529001928754498	0.03432437797514014	0.1619371117920112	0.25805053272443423	0.026222971688470872	0.020886841278929535	0.048882098756059686	0.020224216338604703	0.12910916141096943	0.12842864246347338	0.03995209923948195	0.00629067339424478	0.14346263563893644	0.005791390179798528	0.04273328765530529	0.0666616911828128	0.0007338437310247506	0.012699466454902306	0.018648796639188614	0.011389546953703122	0.00022939733261210374	0.019964052982882417	0.0023040830375190774	0.008685174879216079	0.0721105520120514	0.030832667618597515	0.03740727236935857	0.04894412393403311	0.01032392984220019	0.02443901449653167	0.056797377167843936	0.07321050083704861	0.009592382770864482	0.008068474191781657	0.0006945555818484832	0.054690424525823726	0.2039166632843435	0.010371285623251571	0.04971983021994953	0.17747978315787977	0.018553769057297904	0.0682322544691767	0.004733868402283757	0.021902247920201734	0.12065407150302945	0.008116672461436405	0.0	0.007987365296313914	0.037350511092462506	0.028118353124843516	0.0023137933885394877	0.009666904752225067	0.002532985052073252	9.369886025781939e-05	0.00015497394251096682	0.025655733898112525	0.04699140594472264	0.02216831808520711	0.004210215445569935	0.08641506107426228	0.002673954014667787	0.0018972518644179593	0.029688760025236387	0.02896967527129478	0.4520718290706554	0.013913510029338692	0.003055854346959862	0.003447975359193611	0.00538438223571324	0.000486300960272747	0.0009538269895889767	0.005140236112656275	0.005043448089415029	0.01353026644102735	0.05923738926442245	0.0061687356496969	0.009200286932268792	0.008550045920435475	0.00766457045550717	0.05365173388176068	0.021161871981038288	0.3115401568457144	0.021192284419430062	0.20892301418229112	0.014206095053526309	0.027664118714900293	0.011717541155422815	0.04550455435457085	0.020187357650277283	0.0264001340775537	0.006014286285774646	0.005627590157682983	0.012081768504882722	0.03955144067351506	0.06497442689660694	0.0014890998241022452	0.04800140410566719	0.005945400597377483	0.03800060862316968	0.0304841689792685	0.004217441955796933	0.0010478972428331161	0.013684963532561675	0.0050186678034447865	0.01352585917222095	0.00838535730351558	0.007326242095545915	0.024989808624589816	0.051441786311828365	0.005351132012550153	0.06774076268271667	0.12555723325479246	0.02581077409336158	0.020184251624815117	0.002097662538540474	0.07309579191047759	0.04640720434679567	0.045610165467918344	0.5001269608300988	0.14018232068330794	0.025010004501221747	0.03767674716358447	0.003835459229526803	0.03983415427591916	0.0061563530237985714	0.018032905582330644	0.017698647902860347	0.09802419142007861	0.04359883667148954	0.5603155820051257	0.05103979181798456	0.00576640828353074	0.0010397411854775605	0.0024795869831353732	0.021079931650693117	0.016028933252539877	0.039539309875515814	0.04323280028734496	0.03918339301808718	0.0027286717736092416	0.025348959964957975	0.019239368680451653	0.017787224203136255	0.026596573296041617
+4,4'-Dichlorodiphenyltrichloroethane	0.009739929785531011	0.01223140253962322	0.008295342970213932	0.03963962383311465	0.03811775135717733	0.006480958779476713	0.011519239197492944	0.061493470816808594	0.060507884463404035	0.011356990229335916	0.020214156060051742	0.13456592458443528	0.00705805140197375	0.006196232205441411	0.014253368173733417	0.013803354953909448	0.00295052682408685	0.008394462750008966	0.012143439147720455	0.010108718774794948	0.009538054776375095	0.012176671870093518	0.013125114994479145	0.00689033272241918	0.014069794269131167	0.030501711777801897	0.025152969904075378	0.15887500973144056	0.013767272548319918	0.016013548594148327	0.020200368976588685	0.021119264394202954	0.08447400597597667	0.05134989081332138	0.024940449561868232	0.0028307153842406715	0.04509011243772709	0.0016865505269250153	0.0018748662420851494	0.0029774756900113096	0.010324285900436646	0.028000990538511888	0.025189216798486503	0.012735283760063698	0.008539642829332245	0.007033156232952688	0.008262125966978678	0.007436715496973813	0.008612609471272346	0.0040247354928456885	0.002800884346099648	0.18927616363355487	0.9669401928579342	0.9899021622371952	0.016678117038490214	0.029062494484467846	0.012398725316014922	0.012323497392416144	0.0022103449154746912	0.06454479351552948	0.003175485567807001	0.028374786832876045	0.023550670833954842	0.01474357068721975	0.013443661276783947	0.009220145606104504	0.009374222764710003	0.0023663152987906675	0.0036666133327266587	0.002385564605355302	0.0014705406684557122	0.0029782383649297503	0.00788905527411323	0.008749249965265441	0.01010016746891732	0.043961221527392146	0.08045340650074263	0.08436238297036858	0.1527534945236353	0.010842824109734419	0.043630781753912155	0.04076962063471204	0.005404775122036878	0.0031623467348905845	0.044892706984637695	0.04006910145339464	0.004725762041529725	0.008734682580934015	0.01897254589334325	0.03763800624823808	0.00822018450466516	0.037093298511716874	0.08758959530890112	0.04765543052920473	0.05320344730286317	0.014367907080362341	0.011178961082615227	0.07263744788404357	0.06993705990914577	0.11455320124057437	0.09883437976083213	0.09088609919167961	0.108637035394988	0.03435723234620848	0.10473789214223202	0.009904442842915365	0.021780557538800857	0.018802747661850538	0.04668915911802359	0.010142006866116797	0.017393580222471335	0.007366739020244277	0.013207882184673676	0.009685625329057302	0.009343675336347553	0.04821077054651736	0.056116762412724744	0.029904379610528255	0.0356495210905944	0.09772951160736168	0.08498657574631396	0.027114100941484778	0.044798945536735316	0.02406015655054647	0.011765402226880614	0.03295201281277675	0.03259254552691781	0.040571901288645525	0.02352778780347251	0.025132971533404404	0.1036070527937369	0.0018897323330578915	0.0013280333227613942	0.013848215084634206	0.0031925790480671346	0.030907064193737562	0.003434345266170052	0.006490204479507933	0.059510197305756574	0.0705419209293323	0.014707769077306303	0.02544435300987011	0.007832475789805107	0.0010487518433983712	0.005717410782530319	0.04241437120074812	0.008163409308243726	0.0006202152204503765	0.0038338173469601175	0.01338115226881029	0.0001458573979590298	0.009800227625204092	0.01282003696121552	0.017425075587557137	0.0061942167315712235	0.03740172369955129	0.006884671170022298	0.005546710342593609	0.005909626036009289	0.013053464623682124	0.01835241628480513	0.059479034305023486	0.01528213703652422	0.0342794236712079	0.05663140825966249	0.05729229248677128	0.06067038818368776	0.042631750292857096	0.047016411150015355	0.056247988594214475	0.08346908387487759	0.19538465171336225	0.5266928891407611	0.9876939827065802	1.0	0.0007046847876590036	0.019440689912226253	0.03270706308866097	0.19056720639217356	0.06531782778518222	0.04553364127493644	0.008381377258282287	0.012510289496511864	0.008945828396637972	0.050216990343859895	0.042320287135432184	0.04078175864414057	0.019521890508849386	0.005601346331354631	0.06406245368647345	0.07843182383554802	0.010897211226608312	0.026625018173259678	0.006778711974590276	0.010147211257064486	0.0006150470988836324	0.0005276370233617886	0.009160919896916963	0.10957824898729568	0.008729462165733264	0.028537566200183703	0.0081409942304412	0.015117001205501602	0.06409678600531105	0.016257084384053534	0.0016719768112401236	0.06441234579685359	0.07420654936717612	0.0362368003585952	0.0502198502345427	0.03555463323398428	0.019668421540424273	0.10106744969778975	0.014185041951316832	0.027320435921802683	0.1441240377324526	0.04702312630521731	0.01421380064625381	0.2932152554106681	0.0023175494029167446	0.04851614856826819	0.022462199563293036	0.09811723505963932	0.010958972979342094	0.010343446279052447	0.03332852610021517	0.02363155387966914	0.019403061039781174	0.011885835214870315	0.003296206169717627	0.003022033231505945	0.0031327513006850797	0.0034836471877107717	0.0026115346617585256	0.006585213906967339	0.0027168308674081062	0.05742659311777538	0.05387505204657813	0.04618617198485328	0.002518540132110061	0.024191298018234893	0.22832246367211223	0.025524835188355837	0.03979602884111398	0.12416242437082603	0.1669755810884808	0.01859600302240373	0.01781003794280701	0.045466728399876366	0.0444231272129481	0.1237560516916479	0.12325140484288737	0.04316409255394543	0.017274975495737786	0.1376180909525905	0.005482353301452445	0.04263200477647663	0.07999876565461468	0.001087191320519135	0.01658265417249535	0.008520657666483099	0.012712913670048403	0.0006541913317689481	0.017250709011135994	0.0011437112143483283	0.026950671942901787	0.07273974431127812	0.03620035288937354	0.03706333452199076	0.048508762339559613	0.013923725866462518	0.023006328309856106	0.0537702709068242	0.07638895251847888	0.0057090904856582445	0.013232197140110525	0.0007155807055642088	0.011380222367032167	0.1969972699487095	0.01177404849683146	0.04007703229552414	0.177888643315648	0.008548842012915609	0.07157487008641175	0.004217685232167395	0.025130194879396776	0.11730021972013167	0.008814240108136258	0.0007498224864540362	0.009836475546801891	0.002485791106389192	0.021279097689358744	0.015586692554567533	0.0146708971132973	0.0068132828760775815	0.0019664487377547206	0.0043984231554284785	0.18046097486808305	0.040279879245017566	0.024989611317149045	0.0040761227042965635	0.09617958073496065	0.0037887299171437865	0.0017161836284142783	0.029125760205886145	0.03632637025281252	0.44649632988154225	0.01722730951346374	0.00220276973818187	0.004870395462773462	0.00356530874305589	0.00041420419180512776	0.0006108921046962669	0.002827308459044489	0.007822872211629004	0.019888236937273807	0.0920649477828124	0.004675058001000917	0.007744058818278561	0.01457636022619806	0.006828215779165098	0.05182889728339545	0.03693235480914906	0.3101767305601634	0.017646116048244113	0.20740877617628042	0.01163111027497905	0.04144869676037892	0.017309472121205392	0.047713212792362354	0.020020792827352286	0.027153293052078115	0.0068787199682498485	0.0066458781602277625	0.002596893630083847	0.026110444364058957	0.03784787508481191	0.006281852721858079	0.05210625402034052	0.00544210450356179	0.04380175103879086	0.03379940438288914	0.009721032314683756	0.000633192849592953	0.08916243935624861	0.0121299923139212	0.017732957048369333	0.001415828482984465	0.007581238547710825	0.027830697095917078	0.010156160584395986	0.005285218771085379	0.11413182309973544	0.11755509324458653	0.028554902778765174	0.019646179021527536	0.0021298058758610432	0.07598636030376983	0.05703517277681252	0.06054184777420612	0.4936538176999744	0.14154818425729299	0.07106716746551203	0.03503871918132065	0.010117360729539141	0.04530890811211998	0.00807892190670192	0.010070393684315148	0.015118111247147844	0.09298052671698853	0.045467823984572865	0.5514889168882802	0.04358397113483876	0.00047471356006533345	0.0	0.0012243990035342301	0.031000722977779466	0.014479140162349387	0.0492384664159504	0.03904815741755014	0.03533989028556451	0.002358920695079902	0.023271336007338547	0.01729280164825356	0.024049911983453614	0.036231208261239926
+Tris(4-tert-butylphenyl) phosphate	0.12320875986221443	0.13178628159600791	0.12202563310811913	0.120720980708572	0.122279186546843	0.12819975947348292	0.07615913094694642	0.12370122294021545	0.12151114422623578	0.19062602315374702	0.7839717416295157	0.14117598416042704	0.08143639452148901	0.12354335073666486	0.12073624799742523	0.11743855894818805	0.12678208402801056	0.13098560830570127	0.13026285896609754	0.12985713698335136	0.1242168077442836	0.12224547633623424	0.12273557642215245	0.125599176585372	0.14598559959635843	0.0020437859242335133	0.08473496715463408	0.5206937123636549	0.8990440446303055	0.12296132920474778	0.49537329067950553	0.032315896541248494	0.05019518513469334	0.09139504758953562	0.08283168425011848	0.13092885084412575	0.2922409591280991	0.9360504016414951	0.05833012465840318	0.06922287928609523	0.01940812323112743	0.07619289519864413	0.01686583667388444	0.0	0.0048656090998569395	0.0006583102325640647	0.00040636968260824116	0.00028868674953927556	0.0010318843973437248	0.05579782964265455	0.04181214573434125	0.017200876833093768	0.0021315613048868303	0.0006846076255530606	0.038975916395711234	0.07878660741918969	0.03747186835117619	0.0527200033188929	0.035534094097449	0.0014659204346341046	0.02666498177953699	0.04706353642024206	0.062395254780408894	0.06073808715668796	0.03696455721423662	0.049358204344583566	0.05223212302237115	0.03858239726616432	0.03772399760400082	0.038178060107426436	0.03510289910317897	0.025259394857338687	0.015148067529055412	0.015980751754293997	0.0171918218673574	0.01730377434875374	0.010763629424689131	0.01245360379037584	0.017506525405481966	0.0598613225421118	0.027021713491970287	0.024852002413185633	0.019865830304338597	0.01981818832953874	0.024541086656198533	0.018105553972516734	0.018336021446576038	0.017414713413007415	0.04010763440019676	0.002493028071100524	0.029331792725136623	0.008294357832534679	0.018719047603087773	0.031981107128813274	0.03394260787975169	0.017181819340591657	0.019163026096477444	0.02913175484426126	0.03480840402426893	0.030121518110913452	0.04899075638825305	0.019673295411689048	0.020405778746285963	0.0206275377426592	0.016299075665337795	0.0791448996344642	0.06989531089227172	0.07380947155807532	0.07551281851636314	0.09086785580180344	0.08513074842650088	0.07772854611731077	0.09197425810279128	0.0900167179926565	0.08701439740660274	0.02211153959246609	0.02208757044289843	0.17366520043080477	0.07201181549774337	0.01452433872807726	0.005334095054914989	0.02837483771577445	0.06633972839804093	0.07075640547094827	0.000887052455495064	0.00397586419478308	0.004363833194314348	0.015615660811100291	0.016156632799664585	0.015687117584197278	0.045138792752964396	0.05813648131457163	0.02589816565481681	0.3827900789763912	0.12473647552470572	0.04976340916059449	0.6849907257065118	0.08533411395335369	0.36999448449650557	0.3099671871687817	0.08637965545827864	0.37786404198002976	0.05818009494259071	0.04968689200043223	0.19651679938711233	0.03938155775201397	0.04068708065742038	0.04871988074205079	0.06631696247759056	0.4941647252992551	0.0572613847511679	0.16995003930126423	0.1616566717492045	0.3033081894835285	0.09434467870130181	0.672247322361299	0.8609536983591328	0.9345032886096483	0.9133073133348675	0.007623671155367864	0.8554804422802722	0.012581721190777365	0.024874133768021472	0.004753906224713622	0.007057780684918813	0.0029959397065824215	0.0057001323040483665	0.0022698967351403266	0.0036103594871234688	0.0159363541085023	0.009740817679366293	0.013929953249110984	0.004547303209548767	0.0010693389361607006	0.0007046847876590036	1.0	0.0027827761408712954	0.06457650894314178	0.11349155724820781	0.19651803548590097	0.1795607263985801	0.004863039045435331	0.10081343636084579	0.29729042525107846	0.0035133155207663844	0.0003547370149873002	0.022720719153860005	0.0	0.0789274402008831	0.08190921473645767	0.1006171525067617	0.10068046634785034	0.08061469527510927	0.09285071569154658	0.07633336265745072	0.09472051709666762	0.09318556106390805	0.7210801726928723	0.7304507045936747	0.9021581247688746	0.6171526233961004	0.8890056521869956	0.7688924669364325	0.5747102477033307	0.011685207545139359	0.17721168179728183	0.5824716206130367	0.06295680187573272	0.03243098270206609	0.011505578293571012	0.008510420463631301	0.08187312809205534	0.8140170334951699	0.1343905539402515	0.014829269166108142	0.05132260730419224	0.0696408327428619	0.014472958973145461	0.0011749066309640456	0.0068597854537374115	0.7877683060022717	0.0529805382152114	0.008900738375509091	0.104986400922469	0.09662384138021804	0.05739866045839652	0.07915558007856671	0.04904754462769069	0.06618132658895907	0.026434127171135142	0.02775762333753976	0.02448099260768508	0.042985958622428586	0.05369995151916247	0.015742243014957625	0.032547925309049444	0.0849709643302082	0.18833073104208106	0.0636853911051715	0.03312074629396876	0.07250242531339413	0.021290047312558576	0.015946907380595572	0.010834624079403169	0.016869957419057346	0.024835140924966793	0.0	0.0016549384981795583	0.04622838654777893	0.0011787063751983395	0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+Tri-n-butyl-phosphate	0.0042542092241887345	0.0076509753918384	0.0	0.002594638571042942	0.0029218354687374575	0.017509253526166342	0.020493390323928013	0.01804413831405396	0.02027886773499574	0.0025592464673257747	0.00047842348551618147	0.0021610773437139063	0.01732717850561063	0.07469912260536118	0.012860331979885318	0.005906897345511987	0.0008509408833284797	0.005079345339304863	0.007946740875464955	0.006057648737215964	0.005300645612516119	0.007289405283018108	0.00716021457685435	0.004090478093130514	0.0006665535198874972	0.000929172081800115	0.015832899875005867	0.034859317351698324	0.019268275250310836	0.053482808689925276	0.004881960910809181	0.0007360066798780358	0.04277641432987688	0.01254850413198127	0.027427728924161877	0.014582880379474025	0.22684638951863692	0.010849889667290061	0.0011353660789301247	0.00015778800335399125	0.0010006668598523515	0.017387387270957472	0.0061769969236221585	0.0	0.02841700623173712	0.01720532004106488	0.020401980792116893	0.018102545551601592	0.017019996065765364	0.0011309638249627555	0.0	0.024686210136495874	0.013699204661396899	0.01830410825756676	0.01895164731957822	0.022127022536528953	0.016537721625413816	0.013230245623660044	0.000532712413754856	0.008255934865457133	0.0007817813207429615	0.024373174440382495	0.01821668515765548	0.022331083089769162	0.01630670133229691	0.011822084075157453	0.015546752218613505	0.006721595521938521	0.007570378121230907	0.006412534349294448	0.00037601301409843164	0.0006806229000946808	0.008551832316055932	0.00909246757504709	0.007989534057238413	0.0074354218396645196	0.0019210911159404185	0.0023170999588555986	0.00011491518757405177	0.011560431272090827	0.011612351420719485	0.011334127620002916	0.008283525671614167	0.008142506186819741	0.0012599595638151636	0.0010996161086917343	0.04816744912891869	0.05292593239799274	0.002170658826157627	0.13609280451674796	0.000778071048671805	0.0044453987913146515	0.03438440126098627	0.009591061870198583	0.010059198470719635	0.009942248823569956	0.00879124620900448	0.00547367367620659	0.00985393863350676	0.010643281870793749	0.011470872093910331	0.007027730372745767	0.015403240146169325	0.0010472600633409344	0.007253587749612129	0.00904643909284077	0.001939689958437788	0.0017067236993768289	0.0014253677103151046	0.0012147044146439555	0.0017561511441093582	0.0015116040394799264	0.0013840342908184602	0.02457735635533037	0.009008058488653894	0.011432548342398898	0.010034443839030625	0.05230447616902382	0.017475487417123143	0.0177924142840565	0.00019340677909058593	0.013097279503552639	0.0008100069093410112	0.0020867597582751463	0.0016277165331817782	0.0004852002624117749	0.007093391572190143	0.0006920825910883602	0.001984996313390832	0.00020174979039692414	0.019649697167664303	0.006592473655381954	0.020646560508432367	0.02911652543862385	0.044494789533587466	0.004136732140610815	0.28895737282771855	0.5255262814526965	0.0202569069381495	0.019808087020628952	0.012045955646898494	0.03894086144796859	0.011580453776675168	0.005884153856636811	0.03110825713976829	0.0	9.253089452363147e-05	0.0	0.055088533353302827	0.03038764315060659	0.023203688639478453	0.028388395168235714	0.058700306863356394	0.00042142887063926414	0.012291239598441297	0.12102531442094881	0.10934768976164443	0.0617956787409955	0.1434168000645916	0.003504308045541358	0.0526392571278608	0.021794827292079696	0.045790645171477753	0.046934651702289644	0.01784907472907681	0.019818290401660447	0.06870989355797313	0.029536853206190903	0.03338290266654588	0.05688763316027252	0.05334348802428097	0.028968055172427985	0.0003037576830046735	0.014187122977710017	0.019440689912226253	0.0027827761408712954	1.0	0.6555218465322289	0.0007234635488918697	0.013016769074198586	0.013834958838031207	0.12008408192625816	0.01274953051572847	0.002426538732962483	0.43130918809395125	0.3524555209146781	0.6161504765032292	0.991258783004381	0.01690207471356053	0.036964513384722605	0.03874926667383495	0.0030130817886008213	0.046128083613074994	0.028372343274731066	0.002186481871066572	0.015716809347262776	0.015840915882232975	0.015718132886964352	0.01014238849256394	0.004793218283131593	0.0191884014326078	0.007638429223421286	0.012666011832371971	0.007017032961332437	0.2220957309198304	0.003399359582087452	0.011377445517646976	0.027149313280082504	0.0005534951989222835	0.011365888762235156	0.030542479830255324	0.0022390835061000024	0.009142215413175987	0.44125266690723036	0.007215225953204829	0.04973061083602162	0.04459926863028669	0.004024991894766327	0.000867279900208564	0.19957246277143253	0.01128784314405485	0.009596808163387151	0.0029324344275761145	0.01797765259422212	0.030759765504059768	0.04111865522279421	0.029187347034534936	0.03593065978493231	0.028339859165881588	0.0097654054814221	0.0009841642172521725	0.0011889985382478436	0.020774405875706177	0.01641212580732402	0.0016105546614693402	0.006035553434157976	0.0016592810464788601	0.00985143801199738	0.0018514989507914343	0.009736895742208493	0.012527487299457584	0.05117243999635067	0.05371574960752842	0.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+Tris(1,3-dichloro-2-propyl)phosphate	0.0009275807684809085	0.016544945580338387	0.0017689319735947821	0.005234670766917617	0.005865358411581325	0.020004647447397567	0.007718607092910169	0.013034044946122208	0.010929446757194417	0.005337357427199722	0.042939317047613695	0.0007637444088426947	0.0	0.010347708768874852	0.01050605344189904	0.0034212691764680054	0.011469118536224758	0.013041046952199759	0.013393225587248408	0.014155231826661827	0.004485872553633124	0.005846286041626134	0.013579326642481229	0.004641507158660006	0.018057219073005566	0.028283670003645418	0.05069982363536155	0.0704895298796756	0.044908170242887346	0.10761878015590085	0.03533296090092575	0.021182536235184086	0.041128095241768234	0.005594455470250842	0.06884897592891608	0.007383107788915081	0.02372721465736143	0.05944462467835597	0.002107853158146678	0.009751093440419096	0.008003478224180372	0.022081909655702035	0.005131308327215989	0.007568115169236656	0.05308486096118013	0.041982671561209293	0.052676521181145755	0.04047129998924862	0.046830523433095864	0.00594326018371029	0.011141554712192024	0.03805389059157334	0.021871368034371633	0.03396129000182784	0.06434562247353447	0.025981081848562026	0.015160999618483752	0.009959184143443251	0.006464285881628214	0.06018850224470746	0.008458486578475805	0.02818835978543635	0.020711525720915763	0.023755319057815222	0.01636942012179188	0.010907413691403746	0.011672803474683703	0.007935751745536493	0.010995863898390905	0.009281081932826455	0.002012231523367427	0.00570626563863829	0.06871234215302724	0.12889757002308455	0.03532593177106292	0.06155746699759225	0.03432256748731499	0.07700448470636795	0.021409885423357932	0.014833174259372698	0.05756347000207605	0.056297878597499164	0.0330312493510629	0.032959323547130014	0.05893691064801578	0.04467830377971306	0.011308736472389821	0.01659155231931587	0.08390325626473093	0.11525054091488587	0.030242736187888773	0.4664602430955907	0.03365114359562395	0.04243241607309402	0.046376066998454604	0.3617287776487466	0.10505179922892767	0.1382430702357688	0.019100259796854657	0.09177148907441929	0.1885124355628653	0.07452237803637116	0.10422660985886478	0.0775691170327581	0.05728239162005442	0.053928541287064535	0.048059124934677344	0.05208299144183034	0.007633876578878184	0.004116039482232023	0.016144257718748594	0.03399745215448725	0.007963034027384162	0.05572946146977537	0.058253287593177834	0.011381108960730437	0.015084483274365132	0.24488482085138163	0.02270349951541355	0.05462413962029578	0.05027805629960653	0.011373586287436756	0.01172388468100829	0.06144927478530079	0.020981113486138677	0.06166608550329519	0.0372230115042578	0.050547023222936416	0.16207139871365417	0.03735006750007852	0.09701535636582216	0.01896681749239392	0.020257259023353062	0.05114616891481093	0.030128430960584148	0.047542414941283986	0.03570902052580464	0.029830583847943376	0.03895387006615939	0.06410423053880288	0.05700000371525184	0.02860186027995089	0.03736378232994502	0.05792021923852137	0.026409018173419098	0.075525116314872	0.02323637849853322	0.0044234635527995135	0.02304472493885032	0.05014941007188862	0.0008950560933039944	0.033580018349502756	0.021964463153293867	0.1502156158095657	0.026283312036945145	0.0374094025082179	0.039947138844536066	0.046463996907956634	0.044248937882391565	0.008980193882466844	0.04430488928485051	0.10921586999636991	0.09566708586119511	0.051352624809496206	0.0702202240818089	0.1458005651596836	0.15632726579374212	0.06288014961837382	0.0677491281875038	0.17208662903244054	0.17972452195989214	0.028963945965951886	0.008504829758179453	0.019631831887597023	0.03270706308866097	0.06457650894314178	0.6555218465322289	1.0	0.07612102096518357	0.02726128894766165	0.02545693523091583	0.0049621549181053624	0.009609909632468397	0.03579266492063595	0.26452578075853733	0.2514406738315683	0.42394475831392364	0.6443315649634365	0.01084434928789001	0.018608097407340908	0.027737392239990704	0.0004846131508784708	0.08611933858895451	0.001652386482027975	0.036596905730727054	0.014717107328502475	0.01507249844267902	0.03505799511616761	0.029980209949944707	0.03672854586377441	0.03396753504135573	0.040713853808277654	0.03732449015870254	0.07669506294135782	0.04126450037071712	0.017493238371913838	0.04216381674851742	0.0533352079728544	0.029554419295113415	0.012911056597684014	0.054322272721571904	0.03220140332323254	0.042837277775602145	0.27477572224344426	0.018727037158509968	0.06932549007411075	0.0368885107204229	0.018921592993928683	0.01558814391754135	0.021711691675302854	0.04124351036703774	0.010722550616277726	0.010271415794258857	0.03664421079328677	0.038755277915788325	0.0450274299245331	0.033284530694542847	0.040254803357514565	0.03095471784720852	0.012517756769348722	0.007483909172322007	0.007156366117602442	0.01964313517300263	0.014290056735381392	0.01523230942296995	0.012369777391001667	0.010459083664986915	0.05227963873691383	0.011508715171199894	0.013552739415138366	0.002906493930634237	0.01128467259776074	0.011371328887681697	0.011818669337420172	0.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+Tris(2-chloroethyl) 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+1,3-Dimethylnaphthalene	0.4839335602439753	0.47162811032436847	0.48662761727437814	0.48900253103422353	0.4880368901928778	0.4930904341979606	0.3694358311726334	0.4808527849213837	0.48127650395314686	0.5427845513996877	0.7141389534629109	0.4825071895255675	0.3826269429644934	0.4773754680628122	0.47490258753499415	0.47317978695555335	0.4725023186087208	0.47749970065468766	0.4708114256038126	0.4766151529030704	0.4741283786210734	0.47125951308400993	0.4569757435162348	0.4782024879885198	0.4783317074658232	0.15203424454360084	0.30015907140415177	0.5323103047266569	0.7758874751097808	0.2276465191529892	0.42414901347807915	0.10567207375474287	0.2708426763628904	0.45554392223669077	0.32756142513575215	0.5213157638046287	0.5764038062386317	0.7468498909790424	0.33464264482466693	0.27406083350356786	0.08968740857967884	0.3038655500738041	0.07053472171007871	0.0	0.0388793899492071	0.01009301740007331	0.01374073624073794	0.009946195577971233	0.011049925884962203	0.22912837668846694	0.1643834034966574	0.09153980659157297	0.0038997954587894016	0.09118508961993026	0.1694527909246161	0.3104981026188483	0.16319795205896667	0.21003537264855668	0.14439579059632213	0.053502242259344836	0.11290042402955619	0.19967307948388702	0.24926752688900033	0.2455101556926111	0.16178970663519723	0.2003196622784706	0.2091824338443826	0.15057507229111602	0.1518803139622393	0.15143749031891404	0.14192908580296604	0.10445636145230543	0.03654023698444443	0.036732674000969585	0.25787489442854905	0.2038500107838239	0.012269652428737308	0.006184227762492434	0.04129116097043652	0.19750068483624	0.10959127181134289	0.09501555218043878	0.08071837240701771	0.07900689650782361	0.1177518203671243	0.11344814928830187	0.11351860117168479	0.11310378769371542	0.04509962009045621	0.015303617335583842	0.28739175855659155	0.1884824438234886	0.035547321979201726	0.06538511900238494	0.08570983084249935	0.0474709446556568	0.025071097820555284	0.10692079968108618	0.08959650831059687	0.05933445529866376	0.19661915465646856	0.020890812900320358	0.0354151216848668	0.04978122290006881	0.05921386751019431	0.33173938921794005	0.32775691094363846	0.33281466117086483	0.3423420162116796	0.3698512922552474	0.3468568692196925	0.32223143092144385	0.37501085772895343	0.3720637661387315	0.3670966094765161	0.17103869350413972	0.15288132366879265	0.18410078710378996	0.2898346941914289	0.13612590791042764	0.026599635114054374	0.18498007755088477	0.2933500984089441	0.13426654069134916	0.11702116840283451	0.010576789436385335	0.012580525887531026	0.01849888545364651	0.04205237130415774	0.023473237097159507	0.04970674072845104	0.3330279358895914	0.20728912659533566	0.4879429696416796	0.48624279623037053	0.21304798579085352	0.656846667037068	0.2880925394661563	0.6344747867535572	0.6266055831489771	0.28504610830116983	0.6607035279680453	0.13587482040317378	0.21454464183931576	0.5005341226363221	0.03824817337436669	0.07519664309622676	0.01315484984510196	0.28831824584766436	0.5147616862464279	0.2894655525097677	0.19532884994128702	0.3463570640906744	0.09214396782476993	0.4898664864204896	0.7019042303229239	0.8970550902997176	0.7800569068988764	0.8201301556401902	0.23260166237550223	0.7507253336521209	0.11465531132682664	0.042634883167197296	0.05553614445453164	0.09344535652245513	0.07094592515502542	0.09246120579719395	0.06331002113557825	0.07680336062044042	0.0752530891380105	0.11601145898389144	0.37500754121753965	0.1876637420017494	0.1402820416340872	0.10957824898729568	0.7304507045936747	0.01014238849256394	0.029980209949944707	0.1962495952297482	0.43497303895250594	0.4175591195514253	0.01693857680926573	0.21290884018318493	0.5466449240853104	0.22474745929113626	0.03702596618599191	0.016481158676464894	0.01019110292353748	0.4182795844472551	0.3895578564897172	0.45487954507579825	0.3720465404282731	0.38349269852011164	0.43451201042414206	0.38865634504248386	0.8335052562214031	0.8348503659996542	0.8546401665227297	1.0	0.8586402857944536	0.8406934563824712	0.8532424240872952	0.8670204250307393	0.7185491289670128	0.09313112669518143	0.5108928428093442	0.7478045017517762	0.15976288535507602	0.021938686736711868	0.04161515591801849	0.06044875874068855	0.4300764724020641	0.7301990040632035	0.24404808654526214	0.024050364663115078	0.18726897777746848	0.2603966861064888	0.0896079627555844	0.00270132266800945	0.06611098935593303	0.6373907097927934	0.29724146510339594	0.039444827004438326	0.444722931657537	0.43240104843459687	0.24433723518324293	0.31448037941360324	0.21008070466728165	0.2583033765471661	0.11660601105211561	0.11680480719145209	0.10704488355185686	0.1854349908774479	0.21648291538362202	0.06574762356043791	0.13729821032576078	0.20514157344867365	0.2823443614657722	0.2302915364777358	0.13935786205779493	0.12738267948329068	0.15195576236892186	0.137139059609769	0.07256306708537826	0.07585871511347214	0.134912092826177	0.038951312765351416	0.06863936469576026	0.09666367901131391	0.04494829555802074	0.22939957231169317	0.23056509959042648	0.039917085214535575	0.3884726030200636	0.145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+1,4-Dimethylnaphthalene	0.38674087789162875	0.3746410192876044	0.3922022108694665	0.39096586509264514	0.3900579781930535	0.38004031689024376	0.3019216161401163	0.38137818726890504	0.3810680741109076	0.45740398322715053	0.8152976102861941	0.3702929463299329	0.2921824881578763	0.37862559178796856	0.37995898522446475	0.3784509378819576	0.3751665286062298	0.379268100814892	0.37486304008472493	0.37901240194594366	0.3754210194846691	0.3736028595534995	0.35817581186223435	0.37831402247648627	0.38545546013681764	0.181636196190974	0.2109172851205686	0.5609333737296455	0.8999572490010344	0.17246410450913519	0.4886929168147889	0.07597373018748244	0.1852583793664439	0.36178485659456305	0.2524968643839755	0.3819941058195844	0.4442741002703988	0.8857324081722749	0.04470859333431469	0.20046039546298317	0.06405938383678354	0.22974276814594827	0.06001922662512576	0.0	0.015511700170014433	0.0115961757800549	0.015922565532161675	0.011513780002865188	0.012777316208812926	0.17232703990302453	0.12661557303883808	0.0656778981119553	0.002626526511627074	0.006669083004182251	0.10626744832583375	0.23679490167616873	0.12262453287527958	0.1619454839190578	0.10621173975466186	0.0441991790130057	0.08206649337519654	0.14784293850778024	0.19008875579867554	0.18638738125794557	0.12070765475014866	0.15515369568343715	0.16152248691856874	0.11272192153166169	0.11242637147983689	0.1123469922505019	0.10626818703183215	0.07674670196756747	0.027231382344102436	0.016966707976225834	0.24248735020370887	0.23826748616423865	0.00426838228004099	0.0008404197157000553	0.05065456798904371	0.1318588239267507	0.10079848952831993	0.09345562402339062	0.07402692680882554	0.0732376671215892	0.11016222439035273	0.1038473583801741	0.13068292069406978	0.12694446233307335	0.01921615220934676	0.009895109216181724	0.3681170396463537	0.24714742705051082	0.041557111632395186	0.06599446069422764	0.09017905029591447	0.018181853168313472	0.00861354843880675	0.11172402680594795	0.10011919192921313	0.05370732635725256	0.2219961476044412	0.021158282286901395	0.029599473903871434	0.015515410631593398	0.05301674109912528	0.24907974668833963	0.2595054987159956	0.26297615045511996	0.2684966180681747	0.2869030003059038	0.26656957725646546	0.2417753245187266	0.2937485089354855	0.28867880397975554	0.27695335224391987	0.1118038323707907	0.09341454223005348	0.14861625082074995	0.2258607266842095	0.0830684832447918	0.016638171175141755	0.11894226494801331	0.2281582782931661	0.06126404920228475	0.0009551242292189821	0.008481714253743264	0.008324862579125436	0.0017435774357702058	0.002489242328282415	0.0020236415375599385	0.04826709920226606	0.24747950654166995	0.1488555225462945	0.36687765251793203	0.36904767724082105	0.23928632672942837	0.6549593464617569	0.1789874174989671	0.5103321660667858	0.48535445081528583	0.20514726359210403	0.5163884488237473	0.11911960202872995	0.14661824262640377	0.38341977740901473	0.025290728474459602	0.0452430821510628	0.010014907157432586	0.0738110131539364	0.4784713759196292	0.2573368998063552	0.1621490254676084	0.11173986816617716	0.1052318473604275	0.2710565600095089	0.6761252972074908	0.9110986621847581	0.9164202441097739	0.8931865784508066	0.2522967388414224	0.859467763238963	0.023862215894156685	0.005535138842486292	0.018456316318731365	0.022616502312831417	0.014297902382927653	0.0301107077138916	0.009296033358783264	0.014098070083586671	0.049596011913509534	0.02167437434731156	0.11813613094031912	0.04607593937204368	0.004798848430945048	0.008729462165733264	0.9021581247688746	0.004793218283131593	0.03672854586377441	0.16756916923837026	0.33802654862531467	0.3149710267081134	0.020498677894831095	0.16614954063069012	0.48719731027510943	0.08040134868747993	0.01233157144434774	0.016706061334758607	0.0	0.3091773653369675	0.29398437022010704	0.34437067802837834	0.30330557146473347	0.31246464161688076	0.35298564122905074	0.3473017166181709	0.9215735317766719	0.9279319743602867	0.9128909884861754	0.8586402857944536	1.0	0.8349787020484819	0.9941277174738606	0.9463895612725979	0.7384651558693148	0.07891974104221781	0.42315463796643205	0.7274107314781493	0.1203231593803253	0.024114066381264412	0.03677357538070729	0.0402659670325622	0.2025896691425205	0.831339272749505	0.2090184440808024	0.011751953072849432	0.14951249109024262	0.2023020052343964	0.04820708449084353	0.0013457890885547306	0.027924341419260364	0.7494226316597179	0.06815864700901048	0.025666845109806442	0.35784131937220587	0.3151585885738198	0.1802593180539665	0.24020889389706218	0.15421537075230884	0.20049052555132374	0.08184629592347861	0.08481677005801963	0.0759816410976392	0.1409231585468312	0.16815843200221595	0.04939168393471152	0.0976843427573622	0.18434736460093112	0.27584009152037386	0.1962365707752508	0.09996627116421386	0.10048043037385279	0.029495544078120682	0.03688384854924353	0.007470389932492585	0.04868400930775673	0.08344605571451874	0.0360874125113176	0.030916853523932027	0.06366569698236409	0.021121835238219772	0.08763715041305963	0.08845012590192668	0.026926217500488462	0.3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+7,12-Dimethylbenz[a]anthracene	0.69167915840942	0.6928334052130123	0.6900612401154664	0.6743508402806376	0.6790912159319483	0.6809034460613362	0.43650736921115896	0.6847749222560645	0.6841307725880875	0.7380269905976102	0.6960808379841061	0.6859014010814617	0.4810144536338293	0.689883549461647	0.6968899226931696	0.6876227945437189	0.6997476243276036	0.7027078700684027	0.692024568398815	0.7021161605814066	0.6914412502054104	0.6800487434703593	0.6677539764210604	0.6953665024964407	0.6929250265742326	0.01574329702595841	0.3596478196470233	0.47331038695851313	0.6241590238046473	0.23377576868873995	0.3584836610734674	0.14632901196152115	0.3078553725739	0.5780711754943673	0.40138384702765223	0.6692365463900202	0.3317867867782352	0.5750651936498032	0.11084648863106432	0.3839928906738948	0.11820812601783896	0.4264611020390412	0.06375912014254666	0.0018362195730902016	0.010783645084824899	0.006622149130673012	0.007744381627976639	0.0071864481031883596	0.0073006501542121315	0.31955208677741176	0.23836450081326266	0.09966853326624613	0.08239611614465453	0.05920219284312315	0.20737642496413636	0.4379287554898228	0.2145054013655985	0.2989217003610463	0.19956378159728935	0.04828418276223919	0.15508637496399436	0.2661667977947392	0.34993833443297995	0.3425225631396532	0.21110538613975743	0.2810061220705261	0.2956168003523851	0.21433566541720053	0.214271135899595	0.21193837775868565	0.19880189450070898	0.14636426518771475	0.0021259237129724806	0.026559846739165983	0.01922968793358046	0.017603749680768974	0.006155826806277351	0.001047297059157363	0.0003600517024758841	0.0516774260593255	0.0038426663723804474	0.0019989921091331585	0.0035855839539800155	0.0030616762569385934	0.019243559926285476	0.006787265956616346	0.053884877062731935	0.06087430825190358	0.022314034049335203	0.013241708228893907	0.001311699183578417	0.007089048190425915	0.023071716396671594	0.009964989764404663	0.011558082100002627	0.022670008134526833	0.004636465891304	0.017878265762665862	0.030665423406001306	0.03558120743195728	0.0445570779231051	0.024428414881118944	0.03405608281871946	0.04365739716096542	0.04885432767627068	0.44962539079722647	0.42648887015961223	0.4416563822776736	0.4546981859504364	0.5128043409876148	0.48390437725824953	0.4431709430751409	0.511973139808529	0.5030994125303212	0.48906949300012037	0.15040747660343354	0.13413919833933236	0.26181990330096694	0.38497894600814175	0.06044082098634208	0.028802288128870885	0.17464141362048946	0.390534892804471	0.05912085026843794	0.005349306875241404	0.0031919490886512104	0.003910584596358425	0.0034388452610829147	0.0046673062713013195	0.00305604785677435	0.01980696144813343	0.013317989594818709	0.21493968162659824	0.22254146373523392	0.6976845130014601	0.0056450975781895205	0.37138260947516544	0.016062868262313894	0.6412943300447296	0.6748605683304579	0.39176526600112405	0.5893378978790638	0.11406536551463303	0.2547878669180298	0.4851130912653471	0.06304639209838754	0.026094981495528795	0.03975858737525907	0.0707057033519388	0.31735219199391757	0.3251222091539485	0.10884059451665863	0.051283433645247775	0.10542476973084978	0.4658785839248121	0.5534709887014632	0.6738929810040448	0.5666024353906514	0.5680154191971134	0.044296372313758846	0.5576812081163671	0.012393059773681504	0.009145233037518118	0.022043754583461164	0.014641696419588493	0.014950557772017857	0.024264861304375225	0.01764210616556463	0.024431286124194502	0.065787844165776	0.02146793583388537	0.1068169625532172	0.03527978934081212	0.06004194910989952	0.06409678600531105	0.5747102477033307	0.007017032961332437	0.07669506294135782	0.2567621603786834	0.5925735695362874	0.5671044250998794	0.033409742353034774	0.2595342936528078	0.7113698268685986	0.04257358578112688	0.05606447270552813	0.05916205471631443	0.0036882491762041747	0.444266004996224	0.4755922732528082	0.5401210972494029	0.5465830928010467	0.29527200425028827	0.5172334023297459	0.441977203372909	0.5260839316448803	0.514948551521631	0.8611310453118148	0.7185491289670128	0.7384651558693148	0.8502716986848281	0.761221798956179	0.8387969508317036	1.0	0.12093534495432104	0.7349494484300688	0.7555780151418953	0.11038752622050901	0.014560574798795894	0.047547743982184545	0.05903591412473282	0.3583699059652348	0.604514628575932	0.259215260102788	0.04576733065874072	0.31098150689943127	0.4588756556554234	0.10682388528336134	0.004209526246251728	0.007206349551831711	0.4897593033693361	0.0378040740982806	0.03775414550016132	0.561145061270622	0.510238695788575	0.3206096550116728	0.44159058555304875	0.2769129145496099	0.37266059593734546	0.15914031802493991	0.16211629885049017	0.14508463409476036	0.24645042896345723	0.3053470720014652	0.08849774840340834	0.1845613739630124	0.18757069790938688	0.2613258916011124	0.22792695637178448	0.1896937388005667	0.15362170888071003	0.052683743795093246	0.050400206402861344	0.049881889843709136	0.043978766167971375	0.002756919131784766	0.04227743022723658	0.050191664544664685	0.07623919941545063	0.06301397880320261	0.1330482442745657	0.13415952824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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/scores_test5_out.tsv	Tue Mar 22 16:07:32 2022 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/similarity/scores_test6_out.tsv	Tue Mar 22 16:07:32 2022 +0000
@@ -0,0 +1,387 @@
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+4-Methylbenzophenone	0.00020045510940948626	0.0008949290421341393	0.003091621257606164	0.0007536705003722145	0.003778150778714146	0.0004196942247787979	0.0013188203876305993	0.0	0.10777378679580689	0.00011368692906612146	0.00041722752548084124	0.0	0.0019895129314604935	0.0008648311193152677	0.0008459167911596248	0.0	0.00030004813823020926	0.0	3.3450468132413774e-05	0.0003266404443800346	1.959123801046918e-05	0.005502724034393138	0.21278480580200287	0.0019378172146799794	0.0027892517449712613	0.0	0.002326284704234962	0.0	0.0002015351692699568	0.0011975330685797263	0.0011164574384804381	0.0008248525441669404	0.007833112048987881	0.08526530563700233	0.0002619815142787761	0.011137553993829612	0.0010152982930850527	7.156161024905637e-05	0.0020184712225851924	0.008240964797163292	0.010401230261785464	0.0	6.287126117190467e-05	0.0	0.0	0.12039484146128493	0.011358686629291997	0.010758111691858812	0.0040012199448172985	0.004599785041560744	0.0	0.0006384172385074246	0.017053769027759888	0.0005684747928814487	0.014977868139720924	0.03974103684618017	0.0	0.0	0.022545348557495275	0.0011726205723081868	0.04233608627451023	0.005256784975361109	0.0005439321398512013	0.036954946293549985	0.0016111968527376007	0.0007565543757291774	0.0004951730115540343	0.0	0.00024187105692667738	0.008783260782695191	0.0	0.0	0.02686388936462588	0.00424213633714756	0.00047319567054344405	0.011934995843884109	0.0	0.0	0.0	0.013912349026798125	0.0	0.0001878822389175862	0.00324661715025378	0.0	0.0	0.06610325420336581	0.0	0.0007386303454402309	0.01327210542307971	0.013758629988361254	0.005166828983926671	0.0002949374560368234	0.011481930851883683	0.0	0.0	0.0	0.06037738331745105	0.0	0.0027877533258404957	0.0	0.005146176731425308	0.00047422544755712097	0.00035232186199031247	0.00034194452929306413	0.06101004800205128	0.0	0.0	0.0	0.005415130238480596	0.004798323917913888	0.0	0.0063164340709254045	0.0	0.0	0.0	0.0236089864293002	0.09081352163039243	0.0035005770873758045	0.3343560195087797	0.05046750180837622	0.0027205506831491063	0.03422991861923521	0.001285260823087219	0.007040500473706229	0.04425845570885579	0.0257552038047112	0.07653691253634642	0.006527399512721285	0.24480602663156564	0.007417005670249315	0.03514119922895744	0.013382721149583039	0.0027755592497424727	0.0011042395126227857	0.0009728322584725423	0.0	0.0022889254140939412	0.0348519998891849
+2,4,6-Tribromophenol	0.019162672980735058	0.05307980683947489	0.0043032405295918355	0.002975845554595638	0.00031806603305462294	0.007214174848509541	0.0007097560045080765	0.0	0.03065226557978649	0.0002065036967020976	0.0032204029430981276	0.006523021051718102	0.0017598950676733323	0.018983045726238323	0.0007026074958881593	0.004343614025230542	4.760900917579617e-05	0.0006124335300965373	6.498078445066323e-05	0.0012675735435479394	0.0006328687614143043	0.004759621473450442	0.008678739080549067	0.002561054564314646	0.0095461371400759	0.0	0.0009194169474414887	0.003892805061063935	0.006087969195948348	2.2044638136642735e-05	1.759494111671868e-05	0.005930466467479608	0.008152326182285886	0.011526814945275307	0.0075983054442531036	0.0009023852188408245	0.0019150013047946896	0.0030460889280727434	0.017136330893237177	0.0028532507105627544	0.0	0.013812681633524641	2.383260764674253e-05	0.0	0.0	0.0036518963530656253	0.01433198336678218	0.009399864201101128	0.0007195105527608328	0.0002974367391174022	0.00046820115628760104	0.0	0.0014817539577970371	0.002665375671330503	0.0008517402795956998	0.016868570271693622	0.0018444609734891884	0.005947272689214684	0.007007023627982997	0.001963888049048567	0.005896678017391936	0.0	0.006068954312803122	0.011823312918903681	0.0006453432370862386	0.014852596843652609	0.0018776631211901154	0.004813552350190886	0.0006444746977153317	0.0034940572275417524	0.0	0.0012139267040670414	0.006796351886876363	0.006887813327289473	0.00019678091550853516	0.0	0.008183935359517341	0.0004663573881439067	0.0	0.0	0.0	0.00037447764886975286	0.0006136192012244126	0.0012869384234835324	0.0	0.005205174267795817	0.003689278749561516	0.0008930401846869997	0.0	0.0027890685372933353	0.00595926853060948	0.0	0.004740318188753247	0.004059148391499439	0.0	0.0	0.0	0.0	0.0033023062344597464	0.002032078755133004	0.0033958069405357295	0.0007045071784867168	0.003862342570641117	0.014043118899536702	0.0074125842538515455	0.007265862329022312	0.0020657321957221714	0.0017078782540217376	0.03634626304685386	0.020760120252871803	0.01935036486129609	0.0	0.0	0.0	0.0	0.0	0.03246557653332464	0.006459142047475662	0.09924560380301342	0.0026214118679388216	0.013647587805973223	0.0062230798768185104	0.003286963923263656	0.009330268995759698	0.04138899936537712	0.03827826403033822	0.0065649202859227864	0.007756562223685436	0.060985233283771895	0.011557755687768163	0.01757120064025318	0.0	0.00016370107440432023	0.00856679408039752	0.002488353547059677	0.002397803098349414	0.0011548521359977257	0.0019830521656804224
+2,6-Dichloro-4-nitroaniline	0.00093693183103734	0.001113655260004236	0.001758694225451606	0.00777295683541328	0.004769227249902385	0.07818410495139312	0.04637699696821804	0.009226171650723305	0.01054251709804752	0.00857902288045887	0.013570973666773439	5.5229256006710286e-05	0.014155406280709742	0.004717256937292723	0.0040119394822342004	0.01657454472018621	0.0024361792623216923	0.02153367388010942	0.002221566047369199	0.13635482046722133	0.0004920838753259358	0.005657881839064595	0.0022454256001428344	0.01565135172047677	0.017612280528347023	0.0032261154434852896	0.004929334436286861	0.06645356884071581	0.007480424796058977	0.0291076168401458	0.0345804587663491	0.013624022761626215	0.015127130802055782	0.008114619678070397	0.022065345790984212	0.017483442318055587	0.0002313860562141075	0.003585512445519818	0.021856436460210127	0.00012515800310262834	0.003692675693389133	0.01390242511438261	0.011333663341975697	0.0	0.003246224996618311	0.00470333416978666	0.003967591762222247	0.003101071683575974	0.004185743671108342	0.025031511601532604	0.04989089155079185	0.005346451091689103	0.009178177017935813	0.02065465902195924	0.009685042264311569	0.006173119176477417	0.09085473534987355	0.0026254423015343925	0.020947953805814535	0.008014065881844584	0.005932885804014065	0.015074080341003078	0.027822569090279085	0.13916492160258098	0.001271788607336921	0.04983172081451627	0.053254161073737344	0.02237716715784695	0.0	0.056218337736304	0.0008222188288190115	0.00979209498856853	0.01957117285177019	0.027559428558592745	0.012768801786095529	0.0024249035547642263	0.005593446235451143	0.002588082240030445	0.004122320728302865	0.012545597929063637	0.0003741515600051397	0.000858285430615448	0.009872949768537495	0.013177522290919053	0.01027314911445935	0.02070723191032673	0.026795855786816928	0.012428975341169957	0.003425973796923885	0.11243633730555953	0.027442725409795872	0.012491801919155573	0.022296071958754483	0.038006060903905736	0.0	0.006860771376655624	0.0	0.0	0.05538783199636238	0.01124296995978804	0.0032122917740445046	0.0043226283478696075	0.008838097694339334	0.01018593902678177	0.01309963565123289	0.01843542245826373	0.015277017353521096	0.007387063569356383	0.001452628276761294	0.04449201555566553	0.06414479619646397	0.002337099004844881	0.0009987222052377936	0.0	0.0014780376316556269	0.019622923793748807	0.016468174891607085	0.012765337793714249	0.03438551309483198	0.017637091139390042	0.009212570492051722	0.016680006427682345	0.0017074287269468204	0.012980602131905047	0.012538828438696688	0.0006546420208102962	0.0037806610817878667	0.006190918215223329	0.0068399164712642235	0.004499993976223567	0.04948197828629113	0.011242107177400486	0.025336811960764715	0.011722039300310317	0.0047790238729395074	0.17777544340236148	0.02328372261282836	0.0065536971410646285
+1-Methylphenanthrene	0.01565594779207691	0.00013593634228318855	0.0	0.003984870621966572	0.0013465132050903012	0.028662969896376476	0.0004975483837697685	0.0	0.00025988005640888726	0.008803903729313944	3.5919260274645186e-05	0.0	0.3069482323344548	0.00010680554432315239	0.01910196069604052	0.0	1.4562090261178945e-05	0.0	0.0017110193946558974	0.0024841697351296625	0.015650378726383463	0.0005533588250112897	0.0	0.0010431010836706802	0.0	0.0	0.0030832463375783234	0.49854293443870534	0.0	0.01215032008689236	0.002968867007406417	0.0002643403990521951	0.006505884612837811	0.0	0.004477180371365945	0.0	0.0068720424489166505	0.00031073893238249724	0.07186786832439587	0.41607493870811446	0.0	0.01607438291898161	0.2999909714154473	0.0	0.0006603757043787785	0.007776187965585433	0.0032829844347229786	0.00427950603595611	0.0032797218880502507	0.08211791506429619	0.0	0.0010371318664789892	0.0	0.0025599689529435497	0.001270446759250302	0.0023714509224392164	0.0	0.0	0.13448406656359857	0.00023766442100793935	0.0	0.0013349624129771933	0.001297896422248977	0.01560687602762777	0.0010812838213962804	0.0	0.0008648954811159289	0.012813562986182686	0.0	0.0033136409230901617	0.0	0.012432618480805884	0.011412911175946821	0.017224592003896855	0.17171464925793645	0.0058797480248376655	6.232939452860256e-05	0.00015394097537722444	0.0	0.0022411440789895116	0.00046277935607546173	0.01162004398635917	0.0013173877808333847	0.07428986931501183	0.011303407083497877	0.0004806167181758202	0.0	0.0	0.002631183432411347	0.010832026411937567	0.0	0.0	0.00113735275908385	0.023228605229199506	9.468240328550796e-05	0.004179142927555666	0.0019147955980574755	0.0	0.0	0.0016314502148096265	0.0028411484786937113	0.000759412434541037	0.0013255256608415476	0.00016421647888532613	0.0	0.0	0.0	0.0	0.0	0.010134716033720565	0.0	0.0	0.0	0.0	0.0	0.08038635586819415	0.05286286079801981	0.0016944495257086973	0.007321787815405299	0.0	0.019418347711666225	0.003553176801633093	0.0	0.013332129769276838	0.006223382997232975	0.022827270936914168	0.0	0.014223859956588447	0.11627522786882637	0.005249311481797581	0.0	0.02230972692695418	0.09098055712524072	0.00015337562507615563	0.011308282005057726	0.05613699803002126	0.0008641785213830857	0.07412843532181924
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+Pentachlorobenzene	3.041959108188572e-05	0.00010431530884015765	0.0	0.000272724595248751	0.00020880291752703255	0.0	0.00031772590456070226	0.0	0.0	0.00011255808962862392	0.008137009626965236	2.7855394935308933e-05	8.541072129389582e-05	0.000800549790394368	0.0003047219063421079	0.0	0.00010800159512083821	0.0	0.0	0.0	0.0	0.0	0.0	0.0009306547300034676	0.0	0.0	0.0	0.0008163416144737341	0.0001361931155198984	0.0	0.0	0.0007895375545539729	0.0010460254434304873	0.0	0.0	0.0	0.0	0.0011175088912303466	0.0	2.4358597546883227e-05	0.0	0.0	0.0	0.001323434154535242	0.0	0.0	0.001674863095564024	0.002454719568745209	0.0005040361379489613	0.00021897109059330682	0.0	0.0	0.0	0.00034201442602705247	0.001044312657273248	0.0005672546640129931	0.0	0.0	0.0027964793632088317	0.0	0.0	0.000504217076466487	0.00015351411178850786	0.0	1.9315572859318227e-05	0.0003524476955961027	0.0	0.0	0.0	0.0	0.0	0.0	0.0013188086453459812	0.0009464570958066156	0.0	0.0	0.0006173058391304489	0.0	0.0	0.0	0.0	0.0001728560146509844	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00170296044308885	0.0028684317510096658	0.0	0.00019160681903990259	0.0018290109872900722	0.0	0.0	0.0	0.0	0.0	0.0	0.0011797569560193992	0.0	0.0002827430100636707	9.420482874864598e-06	0.0	0.0	0.0	0.0044025304587935	0.0008956084558340267	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00013230141287204694	0.0	0.0004343858424705135	0.0	0.0	0.004359851796508849	0.06722650473800615	0.0	0.0	0.0035265412319425682	0.0024140359517740703	0.00014421028958115813	0.04165374206434635	0.0	0.002647615579768748	0.003159052294536871	0.0	0.009604838096835485	0.0003785654020042791	0.0013248658074574682
+Hexachlorobenzene	6.593709012826689e-05	0.0006674628035951866	0.0	0.042634320331937495	0.0014411493397471758	0.0003232379838242731	0.0	0.0	0.00042091222410301263	0.0003080246665363191	7.221400892385564e-05	1.4072441308476887e-05	0.00012877854530642392	0.0012766844780112178	0.0009053560770176275	0.0	0.0	0.0	0.0	1.810136166866902e-05	0.0	0.0002835701261068363	0.0	0.0	0.0013144769675583303	0.0	0.003212098979790265	0.0031119320541510994	0.0004564473633098997	0.0	0.0	0.0	0.00025653131805154875	0.0	0.0	0.0	0.0	1.7735229069413197e-05	0.0	1.5963729428038417e-05	0.0	0.0	2.820824128537333e-05	0.0003470526651852522	0.0	0.0	0.003116061771635646	0.004845892532682452	0.0005863842969778709	0.0	0.0	0.0	0.0	6.791803887828032e-05	0.00030092347347638617	5.03765157767927e-05	0.0	0.0224545793857322	0.0017266074482788136	0.0	0.0008589785884711161	0.0	0.0002693852976853449	0.0015379232038401519	0.00013396955156449056	0.005490519391659265	0.0009209158071797937	0.0020985005154764134	0.0	0.00356068414071645	0.0	0.0	0.0024129384700035416	0.0019332902343212467	0.0	0.0	0.00012531036046653347	0.0	0.0	0.0	0.0	0.0	0.000625320083774373	0.0	0.0	0.0019167653135798838	0.0	0.0	0.0	0.0	0.0	0.0	0.00019173659882113756	0.0	0.0	0.0	0.0	0.0	0.0033652767173199855	0.0	0.001344480207279101	0.00021276916669095295	0.0002092217193097859	2.3337627545976952e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0038859344639649487	0.0	0.0	0.0	0.0	0.0	0.0003034619149129849	0.0	0.00032775401626731706	0.0	0.0002314378806609648	0.0	0.0005766537323492259	0.0	0.006722106544489819	0.004754607900849497	0.0	0.0	0.0	0.00017801101303208342	0.008282641856523878	0.0022149729402157424	0.004405108054769807	0.0049364964110432865	0.0	0.016028937416333742	0.0	0.002706320195090051
+2,4'-Dichlorodiphenyldichloroethylene	0.0001540665244268743	0.0003023015664342683	3.604347006106939e-05	0.05299317388517034	0.0024728184548319823	0.006743947076518072	0.03593809603765211	0.02085584281224642	0.002342890884824479	0.0001692281963681549	0.0039000386254096357	0.0	0.004195325842872842	0.0012274817614539863	0.008534587604661829	0.0	0.00012914772741280117	0.0	0.007601196784836161	0.0011087961054421262	0.00032724290535358615	0.0037989476304291056	0.022892950641770674	0.00981379129883635	0.003649065282751143	0.0	0.0	0.0	6.651758687175603e-05	0.004751761394455145	2.7625654559997696e-05	0.023242017129596795	0.0035250550224584657	0.14346266370548472	0.0011396867537893172	0.01553033881443764	0.0	0.0006540527487400279	0.004354009593238743	0.001547881359590165	0.004125831562742135	0.003489106140590007	0.0	0.0	0.0015954239148771594	0.0	0.000981772247159989	0.0093676486248477	0.005361046166229938	0.005707514205809443	0.0008398501046183776	0.00016863483472726734	0.003071442402534679	0.005816569049011412	0.0014560562438461196	0.002135892001227228	0.0	0.023268771515068058	0.004238488138446614	0.002168192603690082	0.0038230712862911856	0.0008517375948367209	0.033580021608995154	0.08691778670330211	0.00022140315363120228	0.006213887377185808	0.022383983845954105	0.005168844232246394	0.0	0.0	0.004847892597039333	0.005490083423493201	0.009401974455368754	0.0009573433096016389	0.00037205706717689243	0.0012251898983282594	0.0	0.0053386228904299315	0.0	0.0	0.0	8.464378055378576e-05	0.0	0.013947534758162265	0.02012064744791634	0.0006387729063351366	0.004643657302669174	0.003038965245026604	0.004068425621897534	0.0014957528151577487	0.007995469586123445	0.0	0.010576401425176882	0.0008743934165605934	0.0025363346146060986	0.024323812601882246	0.0	0.0	0.002844566713585076	0.0019286196150721496	0.0010277826006723952	0.00378674121167921	0.07228114255107922	0.0	0.005499246099225392	0.012191428645197584	0.0	0.00389672517919325	0.003378012088576453	0.015356213536698183	0.005584092191180196	0.0	0.0	0.0	0.0	0.0	0.011511144167376884	0.0012695980025069832	0.018299379850382772	0.009546051241749455	0.0	0.0028789133621768786	0.0015154214800162605	0.0023022201527926707	0.005365981534004945	0.007299420178270616	0.04457788089210364	0.006064800591929595	0.009100867874567068	0.00479755589844216	0.004495945977543812	0.025772579301039725	0.012299583016191929	0.042200739284768946	0.0027667616559381267	0.014821780458986036	0.00695412025174588	0.020967914534927183
+2,4'-Dichlorodiphenyldichloroethane	9.951790158649909e-06	0.000689731449953639	0.0072970359122607065	0.05522943696618554	0.018045338897093664	0.3529092570593965	0.0010196444897486454	0.0	0.00608262384149312	0.0028555506359012315	0.0012512245148006097	0.0	0.002195770508820484	0.0026114205550750195	0.01634934270055089	0.0	0.00025942300870046174	0.0	0.0037806071410175866	0.0013191262149594284	0.00023957107356985304	0.010727513948982116	0.06825527391293895	0.00238704868965447	0.0016534304326427773	0.0	0.008744811232085939	0.002192782749308947	0.007655071861612316	0.004287864612737342	0.008948751080459777	0.009466810050981789	0.00020231832407075458	0.07172341142560565	0.0	0.02753433277326135	0.031141693884037223	0.0012115798185896986	0.010837065505516545	0.0020253035227878265	0.013704973685608175	0.012212927311845681	0.006103524175202016	0.0	0.0062039898014276075	0.0012308965828755711	0.03548308558748068	0.02629084015811254	0.013426674524729915	0.008742592872343677	0.0002842380669044142	0.009060728185460788	0.0043777072888294055	0.006161012169976472	0.0016391512099118227	0.009895085703916418	0.004007002011748805	0.034082780259271306	0.01354624152125761	0.01358041070562365	0.004892685482569793	0.0014795830892796156	0.016725744308545586	0.016834703440091147	0.0022001893396155396	0.0007634528872068225	0.025177648674420895	0.0008057303404835651	0.003970978509214093	0.002663858621217549	0.11791111439000562	0.004108381326126026	0.016894694602881014	0.03558768164555305	0.000951691174283705	0.012393601743238216	0.0	9.418548245141562e-05	0.00257904890565368	0.00520036875922076	0.00048504377345878253	0.0550951664450217	0.004999726389444419	0.0	0.0019471532227631025	0.008599665434816342	0.0021040906939347576	0.07679228594201296	0.002628433266609783	0.14508758072928568	0.11667310765781491	0.0	0.003259017893720087	0.0052200855761326175	0.00011819517270081116	0.012481633223011032	0.0	0.0	0.0	0.03669595362126593	0.003703067684445855	0.004374888575164272	0.01781282320538222	0.00016403900218631948	0.006917170725829807	0.012460912608973956	0.0001215327301271749	0.0030809949005965905	0.0	0.013407281530055727	0.0	0.0	0.0	0.0	0.0	0.017465717121852856	0.01915575108119443	0.0016079119801742181	0.0011329899797037897	0.0	0.0011312972314098972	0.0035374428960529523	0.0002526075536626422	0.056185849608992845	0.08016791037146041	0.07007745257766732	0.004428764377005507	0.020990337113920406	0.0038964426826406428	0.017772055552352256	0.06963810369822386	0.07966741257752875	0.011193677264649716	0.007434489112416707	0.0024388138111971634	0.027788244501756237	0.018748548145001716	0.07435992694920882
+2,4'-Dichlorodiphenyltrichloroethane	0.00013477440567617564	0.000572297691234955	0.005922234343567698	0.04937965424100359	0.003873535458149029	0.36012156046523064	0.015122202135744582	0.005926561062084198	0.006264848789465154	0.0020934959331427557	0.0017127803339654548	3.9331303842055926e-05	0.004655805472642204	0.0021706178071818232	0.006185813648409774	0.0	0.00014632610678377302	1.289177786971526e-05	0.0042219745808695225	0.0013007884575400386	0.00026189362494383683	0.008330792844371717	0.10138224888422305	0.002663603642258661	0.0022063442558991893	0.0	0.008623245740297665	0.0056537523980754855	0.005061857129918675	0.004996559968425083	0.008547384502717872	0.007435065658896814	0.0003437336675526707	0.11223497708194527	0.003513163094173259	0.0355477255549176	0.04551151185958779	0.0011266467596758624	0.01214132781866408	0.00230600604095936	0.010264883064295759	0.009467594305790928	0.006191775637649236	0.0	0.0012188272839736174	0.0007951729760076507	0.02412903298859926	0.04330938540055405	0.005733807275128255	0.007949583387656065	0.0004829132192740355	0.008042546499442445	0.006133960456621362	0.007777104727214102	0.0005973149121304117	0.011734469888753846	0.0	0.02926280976808696	0.011885674609964	0.010432392350117836	0.0038881778045301847	0.0022757735846911445	0.020047400563215363	0.026484101544798307	0.00225697480362905	0.0016918668983008248	0.02925670210541178	0.0021792579352567973	0.005150807111198292	0.0	0.07439347207759449	0.003401315730899237	0.015191621251809877	0.035365208840035876	0.0010970695475597638	0.010160958127830636	0.0	0.0012067536354614492	0.0	0.005075271861432915	0.0003385678016986074	0.040157211268535005	0.0045303514328903305	0.005424429326391276	0.005386885703924734	0.004937695016917433	0.00280770713106674	0.07892999234927432	0.0030869829499795814	0.12966011198242997	0.07169165469055053	0.00019492882796677888	0.004258705652501855	0.006694784539785077	0.0006282439868095795	0.017911848676064462	0.0	0.0	0.0014340421330967094	0.04576313224071339	0.002813874239217995	0.004555492037116993	0.02701638684420407	0.0002152403746215848	0.006899238501182677	0.013048357106338783	0.0	0.00406697059129791	0.0017029699595350217	0.024739414533458605	0.0	0.0	0.0	0.0	0.0	0.01955095322196506	0.02081534151753389	0.0015186434191953565	0.010428070090386444	0.0015447742180087075	0.00128736321894924	0.003150820452321998	0.0	0.0591834923923393	0.0842856170938499	0.06694387027357264	0.021070854376363305	0.020797242580574287	0.009032854587421452	0.002511555498960313	0.06043166549962418	0.08308598573758862	0.015110696582982133	0.027311535220097452	0.006168292799738808	0.027733080623550288	0.027557034632223885	0.074391611677041
+1,2,7,9-Tetrachlorodibenzo-p-dioxin	6.625941518397306e-05	1.99664878694393e-05	0.02527091174052458	0.0013189164667723808	0.0017670400725143403	0.018650988347148578	0.00010444904727709355	0.0	0.028311697414050714	0.0019320965615060787	0.00015277050908296233	0.00037632029577264095	0.002839425772990307	0.0003470867856228474	0.005019406781250924	0.0	0.0	0.0	0.0014241307365230789	0.0011096729518803431	0.00012163363040973637	0.0008172845451891184	0.002864247469428862	0.018930370873992627	0.010850716316346208	0.0	0.0024002158300935627	0.013445869703261304	0.002048142984197107	8.897638971882215e-05	0.0002875682315987959	0.010680661072021971	0.01489689189419504	0.0017575157889484988	0.0005376631508998647	0.009625998681367012	0.0002616810740798757	0.0024601854046528812	0.0023208208263715354	3.0121832904041047e-05	0.011550326102276494	0.00034689270887347274	0.0004830915186551226	0.0	0.0012534698526841996	0.0003966006576051192	0.0028577233921670358	0.0	0.008575544763472344	0.011330375424198695	0.012545223747973677	0.0018630136035893505	0.0	0.001990505133802004	0.011602360621644036	0.003252921395918374	0.011743640122238531	9.727227277014684e-05	0.0032203929928286087	0.010897121883903332	0.002841795805946538	0.0020747262826074646	0.0029332799878096197	0.013235627600764242	0.0001583084777469539	0.005754240853117879	0.020779122409080055	0.0014078237789410058	0.0013481357841564452	0.014165742593658623	0.0	0.007016265592685937	0.008984189133681856	0.017423020148876932	0.00012369935974888905	0.0	0.0	0.0	0.0	0.0011779133144460812	0.0027269283143826527	0.00019655474846267193	0.002912157650239295	0.0	0.002967725028141701	0.03934405886949681	0.030292821193954284	0.000990064830283364	0.0007902813100736225	0.020312683116272368	0.0007663531684247192	0.0	0.007224439878669647	0.0006243411359151324	0.0	0.007341056242992169	0.0	0.0011997319522219563	0.012554274391682694	0.005619026548142042	0.0008018122782407438	0.0005447092605716027	0.0008601926539347275	0.0005756528276373594	0.0	0.0	0.0004208891025832052	0.0	0.02303439086806477	0.009189790518487879	0.020803019253547876	0.0031350521195654987	0.0	0.0	0.0	0.026657253755131415	0.005569361503254517	0.015280927708891974	0.016105799377400882	0.01795496791397552	0.0008247658390198958	0.008838790853017035	0.008393339731691457	0.011377249114684811	0.02328888080258137	0.006897638525856831	0.021517231565766588	0.0341722928717046	0.007651111267195169	0.057369740805575706	0.051674910340819225	0.005828121266328336	0.023731384067423825	0.01679096461072124	0.011736938391417366	0.007660937995627939	0.022451056282087864	0.019351653511072674
+2,4,4'-Trichlorobiphenyl	0.0003478989654677253	0.0006761250353439751	0.0005222697196979341	0.04683765741075604	0.0010550512870644093	0.051433520002710675	0.001095292886800163	0.0	0.002124427399597675	0.00171569598741787	0.01094096941678265	0.0	0.015838731800094097	0.0007606404768815017	0.0015880795579940137	0.0	0.0	0.0	0.001990947992855992	0.0040863312669412516	0.029412398419140912	0.00878229372681446	0.0	0.000718613050925974	0.008521713218439872	0.0	0.0	0.009243857895128675	0.0002203119706284428	6.9246206063433534e-06	1.388230104382681e-05	0.002458000511615366	0.002771230782848985	0.0	0.0011562775260210965	0.001186090644387718	0.0	0.0005027514871798236	0.057318024773393234	0.00011855890274877235	0.0	0.0007638949979294832	0.013651044703129913	0.0	0.008808976633267183	0.0	0.0	0.0004833638500451028	0.0005170884625534513	0.0008710810477901155	0.004047988611267924	0.00025584750332319044	0.0	0.007551672842532784	0.0016397678714982107	0.0014850912010979406	0.0009460325448217179	0.038010961128367035	0.011426919719544766	0.002861694299800582	0.0034796002126042985	0.0043203502292096	0.004691007342840407	0.003321342547884214	7.805134909299998e-05	0.0024703415235497747	0.020646333902874677	0.02152688472424153	0.0017296007153876608	0.0019042425553544998	0.0	0.06000193453911301	0.016896058227998216	0.0035964672741320486	0.0021724536925639003	0.0	0.0	0.0	0.0034526462072096264	0.006648580590202683	0.0	0.0003696441337998374	0.0018691698872044856	0.0024104722169673016	0.0053151324919945885	0.0005683869273221087	0.005724577245814536	0.0004482241758621676	0.0022112821142411627	0.14331247215116855	0.005449990589717633	0.0	0.006357281905464031	0.11859499760873098	0.000864665391558833	0.03663266409465424	0.0	0.0	0.0014532812576222578	0.0021882804233819666	0.0	0.003089487416602954	0.0008514404280884758	0.01290980729933818	0.0	0.003051897120486245	0.0	0.004267799636140406	0.0068551305132579276	0.007346406464353294	0.0023500507404799077	0.0	0.0	0.0	0.0	0.0036546810396978348	0.005865595438446645	0.004552151970506573	0.010241876259614221	0.003324470225121989	0.0030598070381097652	0.014602988149818396	0.0003381729249700935	0.0012303626902396606	0.01016313950830533	0.012700704402703171	0.0026296326483078608	0.0028024238908002314	0.0008067947855970053	0.00039907571411883143	0.0029624491809154717	0.0	0.0017504618958151434	0.001671044975948774	0.0001764149294329051	0.0074974244399851	0.0008583432473274114	0.0017671573887384116
+2,2',4,5,5'-Pentachlorobiphenyl	0.0001372689287169128	8.318788285602207e-05	0.011909390123403293	0.01123469477035815	0.0005629152027204769	0.006969103695268649	0.0024096605416496406	0.0	0.0026011353640644466	0.0008768630499379812	0.009878831532314294	5.362343586204289e-05	0.002050820715245822	0.0011035044185986004	0.0003504837068442195	0.0	6.465311525336715e-05	0.0	0.00033317429462109254	0.01982824732038612	0.00011846899003319219	0.0011662468880081045	0.0	0.008767661978323894	0.011205628179672498	0.12497858742883275	0.0	0.008274851899936427	0.04472246334354212	1.047993871280042e-05	1.3743861539263034e-05	0.005775230663669557	0.00047566486989844255	0.0027671149969466643	0.00245097520112176	0.005145254395810882	0.0	0.0006742793348419773	0.002528455443766864	4.386440208420128e-05	0.0	0.0006251164372043938	0.000786587293891646	0.0005899758230336553	0.001962829768696687	0.0	0.0	0.0007715602662260056	0.0005847270992813812	0.00028535702440090103	0.0006264598631361153	0.00010011565263976196	0.0	0.017698757435808083	0.002444290330612139	0.008496817378884818	0.0014317554207899982	0.016080868797269228	0.001552425036346547	0.01180415907076049	0.0008501254201805397	0.0	0.0016817225464022582	0.0093444751528003	0.00010598714818912142	0.005835170226083063	0.015047090713175743	0.005250755131765819	0.0013629895512706884	0.002098356458953009	0.0	0.004041094013884835	0.009402248629066702	0.00742867419942837	0.00010157161015401024	0.0	6.64024554372385e-05	0.0	0.0	0.0	0.0	0.0002667157617565926	0.0003685090799536557	0.008940457444438138	4.6485579566879304e-05	0.00029656981096899573	0.01586665403553487	0.0011040454794273105	0.0029391607980363654	0.01611614004054022	0.005046451059103732	0.0	0.005467281769715563	0.013926073490564716	0.0	0.005381588874105372	0.0	0.002627853270438152	0.0034754775070576986	0.001906894412843944	0.0007931129721852623	0.004387825958907413	0.000692872113267129	0.0	0.0032662393451575646	0.004613451392926784	0.0	0.005280766466521046	0.007452700301348634	0.01604902854182239	0.01201469782291521	0.0	0.0	0.0	0.0	0.0003691985168532749	0.005508980574240745	0.006593351250712001	0.01130781257629719	0.0	0.0018982508872968248	0.0	0.006647597420647576	0.0008533051600347407	0.0416961296713569	0.001407624343935735	0.011834185504241965	0.009041785880406975	0.0007657855582538683	0.0016288623368659204	0.0655814039986775	0.08450017915160514	0.0021010387538418726	0.005230267258983862	0.0017915723573014963	0.0058660004084693665	0.04049800088748999	0.0013017541341825852
+2,3',4,4',5-Pentachlorobiphenyl	0.00012760260046492137	0.0	0.010358287427491881	0.005241605742572203	0.0002802560206033538	0.0053875786564624994	0.004956475399682	0.0	0.0027927749361187373	0.00048493442821618437	0.008042667017132797	4.211099450838401e-05	0.0017417699757720454	0.00024033940700318704	0.00021255271788414126	0.0	3.4706311752388107e-06	0.0	0.00024815004534741884	0.01571720195373249	0.0001202349596339777	0.0012630699399145805	0.0	0.0027727123328747643	0.009695280296178957	0.16773993639717089	0.0	0.004439589776991768	0.030903999925724544	6.722252597475091e-06	1.5757892696560917e-05	0.005442400037045608	0.0002427696460071376	0.0	0.002512608348452499	0.003932963826315454	0.0	0.0004960817483750919	0.001899661884325005	1.8352689351221156e-05	0.0	0.000433832889417044	0.0007448345976266684	0.00046051063330391606	0.001390018183009226	0.0	0.0	0.0006380300568926441	0.0004339140781391313	0.0	0.0004955792601456172	8.999938276707647e-05	0.0	0.014171040512912726	0.0014251100501056792	0.0023777519773747983	0.007347731217578566	0.01176159129481536	0.0017131441909674287	0.010046283920742487	0.00017726784219101085	0.0	0.0013460639350638044	0.007181547194809428	8.070836936410197e-05	0.004483124407558167	0.01185360400464404	0.002555346192553773	0.0011467928485154957	0.0	0.0	0.0024022558564833854	0.006617464761160905	0.006076167657690282	4.062954052445311e-05	0.0	5.449448143753168e-05	0.0	0.0	0.0	0.0	0.00013620725528978443	0.0	0.006966751924047582	0.0	0.00032218126935631833	0.011896842416010881	0.0016601301436057975	0.002854592128077811	0.012307088612108321	0.004362683010256825	0.0	0.004485427103574255	0.010716591739816251	0.0	0.004351819872485268	0.0	0.0014865671073085755	0.0012067293535027639	0.0014470097894680608	0.0006183726305473245	0.003720508222980625	0.0004978750291091936	0.0	0.0	0.0033364883698091988	0.0	0.004307862224869515	0.007576208868736475	0.012126116839742787	0.0064746839627541145	0.0	0.0	0.0	0.0	0.0	0.0037858034587165716	0.005632112286970135	0.00907715338597495	0.0	0.0015387205230646284	0.0	0.009988947108954739	0.0	0.02903025005533712	0.0007781693348537197	0.0069293375732259075	0.007136346781171272	0.00047442046063871123	0.0012223408492750268	0.04738197462723403	0.058689934977945064	0.0032911042561158837	0.004977653089153188	0.0008775318010668388	0.005047555113725381	0.04622669838543467	0.0007381446945210307
+2,2',3,4,4',5'-Hexachlorobiphenyl	0.00018683502841940764	0.0	0.007520979593315852	0.0021625486813815604	0.0005092091502608272	0.005614980461279749	0.008219281276419159	0.0	0.002658738041281288	8.653837875914538e-05	0.010497917778528112	3.59553617138794e-05	0.0016455001381207794	0.001911743035956279	0.0008361298373284745	0.0	6.874883710541015e-05	0.0	7.847250735812925e-05	0.015496897211972343	0.000483106962606545	0.001248892571972021	0.0007469634431671863	0.008428241646889198	0.005993148251021169	0.07564573289622727	0.0	0.0008350137897220488	0.006201149026690216	1.1528604684521173e-05	0.0002561142594001369	0.0022604490941766026	9.942665125481026e-05	0.0008488607879245436	0.0	0.003885788431799031	0.0005693033456490763	0.0012475869877541321	0.0005795947073136778	0.0001770516910347538	0.0	0.003503361769178061	0.0001278314260174399	0.0031016881126181106	0.0	0.0	0.0	0.001366626720550911	0.001223384579219658	0.0016218224699558917	0.00020002194919201575	0.00020263852038294262	0.00022120414168538702	0.012522398746755457	0.0021942875986466636	0.011211852978822021	0.016021648926352956	0.0076056584920545295	0.0031188800977092245	0.0050018637507714915	0.0014136060456474264	0.0003319365899280826	0.0011974823206472968	0.000904743382957659	0.00016603534727050958	0.0060347746174553695	0.0	0.002056415518614316	0.0012298777495129275	0.0	0.0	0.0	0.00452642881248174	0.005878879321539776	5.229534588100554e-05	0.0	5.172039178017552e-05	0.0	0.0	0.0	0.0	0.00010741792070023047	0.0	0.004995502512619634	0.0	0.004359207322118326	0.016757515968135857	0.0	0.008567598745837643	0.0	0.0054923236021813425	0.0	0.0018727409198492737	0.0	0.0	0.0026835558445674717	0.0	0.004933162736001344	0.000744131352926173	0.000696984562801399	0.000827337825161514	0.003596549933539472	0.0005172842493491411	0.0	0.0030022443895678973	0.0010569475321402142	4.5110526395535674e-05	0.005863129597009616	0.008233592355518491	0.0029614882603025473	0.009676159047029278	0.0	0.0	0.0	0.0	0.0	0.004360370613683606	0.0028082594615595675	0.0035656052749720663	0.0004586050437526039	0.0016856783686410822	0.0005604456494502662	0.00955228064477147	0.0036545175965501655	0.009208474855075182	0.0	0.007142873533072388	0.007032075232709015	0.005224010379678598	0.005936869958146541	0.01345918884111442	0.006252632491718048	0.0031235933663174074	0.0021107068699282396	0.01816478014186349	0.013387261366414964	0.0048024633725120185	0.003967384188226595
+2,2',4,4',5,5'-Hexachlorobiphenyl	0.0002121666188410538	0.0	0.008862941040144894	0.0022471034957291668	0.0007742386048140991	0.01114572445262208	0.009660333914548236	0.0	0.002921641712062043	9.083381952969774e-05	0.01071661863862386	7.307680560251439e-05	0.002194092464072675	0.0019895704939069665	0.001017693993520904	0.0	0.0001225787813789323	0.0	8.18753311404551e-05	0.015439928558460124	0.0005207210733084509	0.0013050533679439056	0.0009548884947533407	0.00788538152547383	0.005663406505781401	0.10952655038943404	0.0	0.002265269817421011	0.006960497668930755	1.1532532993961596e-05	0.00034763152513870844	0.0031209566672101984	0.0003475672953643848	0.0025938650392377306	0.0	0.0042137570360067066	0.0006686650164972645	0.001315587071311609	0.000611708971629549	0.000242826869413076	0.0	0.00396975198004786	0.00012787498388166967	0.0031522590142900363	0.0005142591476929823	0.0	0.0006976454312870593	0.001271755976009241	0.001371383047681888	0.001802671726345294	0.0004031437247297269	0.00021002762954092726	0.0003204881369885271	0.01600783444201603	0.002644019349839659	0.011916481588106907	0.01621265229682222	0.009029454031023051	0.0037979205797744105	0.0061069465300410035	0.0013674797185010015	0.000348495351870504	0.0013458879310394333	0.004416156564660181	0.0001891114748420294	0.006660633910968112	0.0074615095132351365	0.0026274877985455218	0.001351385847083713	0.0014697518065603557	0.0	0.0024828714896874293	0.005971696053042524	0.007332667206914438	8.008712472236606e-05	0.00022250412237628345	0.00010826534605348682	0.0	0.0	0.0	0.0	0.00011598593921337883	0.00025811481346978767	0.00645444599292793	3.541207525252543e-05	0.004799021249157162	0.017688033510983543	0.0	0.008948414534810064	0.0008417972813244786	0.005798108175273751	0.0	0.0035805967911160795	0.0	0.0	0.003220411316354615	0.0	0.008479640182385739	0.00228209067133221	0.0013188814601433577	0.0009480800814510086	0.0035356402715566847	0.0006587143571837515	0.0	0.0034917958365768753	0.0011552425820430747	5.107794365102488e-05	0.005956881262842187	0.009064284852108646	0.0036444609556986534	0.012111937174015867	0.0	0.0012124579323708423	0.0	0.0	0.0	0.004700482234309404	0.0030491475633027307	0.006539833062216629	0.0006644426951772734	0.002131655845086612	0.0006345838452666722	0.013589033453989752	0.003925592826607632	0.010967855009978454	0.0	0.007494537873457742	0.010247532171531602	0.006770595621643714	0.006830693602802012	0.01838722746625965	0.0077843509942093474	0.004937602860954225	0.003086541859304566	0.019790872475728413	0.016015055075751027	0.00668218686941431	0.004483141017885137
+2,2',3,4,4',5,5'-Heptachlorobiphenyl	9.180126965890211e-05	4.7595587894423987e-05	0.010140465839472904	0.00154455703406557	0.0002570600392930994	0.012152669483427194	0.009624589953150228	0.0	0.002694860349743724	0.00014783464258428898	0.003906884961707071	5.763093633477091e-05	0.0007989501199759748	0.0033726512124110965	0.0008708645037352083	0.0	0.0001321812520039249	0.0	0.00012194739538872667	0.0010919562918849082	2.1751957309735602e-05	0.0011730059322667095	0.008368126547059934	0.0005753445327802875	0.0034685116937448234	0.0	0.0011482300105899426	0.0018286797817952177	0.009149582532627017	9.352462631881773e-06	0.00042909625053058636	0.0012852334499621923	0.0014142136815276964	0.0036103174256567404	0.0	0.002738230467694778	0.0	0.0011851597203791288	0.0004809777212704269	0.00023779006201162276	0.0	0.001136576950813676	0.00010370193685394126	0.00046559963630419225	0.0	0.0	0.0001956298750671598	0.0013526271148025643	0.0008715146503465248	0.005687366549441507	0.0001601997438832382	0.0	0.0006755332532730748	0.006286797172599611	0.0025803537189465777	0.015442765729441714	0.014363733845616143	0.00591861684547667	0.003471357287943273	0.00660341589404175	0.0006168351622817943	0.0005472027693241624	0.0012452470265141658	0.001212888517410355	8.562261661532697e-05	0.007516521662586652	0.0003416202720408213	0.0016470054448038546	0.0	0.0013208611203320447	0.0	0.0	0.005337174951955724	0.008320493570346027	5.951057242276223e-05	0.0003242357261507744	0.00017572284818024003	0.0	0.0	0.0	0.0	0.00016443230886814918	0.00023196693494249496	0.0038546627103161497	4.741905582479028e-05	0.004105902966876601	0.008005013350203514	0.0	0.0	0.0024344375817117797	0.0046061851591209435	0.0	0.0011770956472595907	0.0	0.0	0.0	0.0	0.005110774884730188	0.0012483733460761908	0.0013336098802312376	0.0005068741981122344	0.0020814895575949205	0.00027841114293002757	4.6856564193046536e-05	0.0	0.0	0.0	0.002132913767968707	0.004414752646054787	0.0	0.013727902728250285	0.0	0.0	0.0	0.0	0.0005793717679896128	0.0053527304036249	0.003330958011703922	0.0072239841848698244	0.0019991167715290334	0.000875211663277187	0.0007606908476834605	0.00033917747931986746	0.003750220098860571	0.019172585034126083	0.0	0.008913724745701382	0.025283861174956457	0.008992817503626604	0.001060477472794758	0.047129884923249876	0.03301012459959309	0.0036891881159462616	0.0031282166704385854	0.018470379465568072	0.015329998230300745	0.0011197236824162674	0.0015702636466167468
+2,2',5,5'-Tetrachlorobiphenyl	0.0002139592671223601	0.00040977750842059724	0.007891969411954027	0.03120288183652152	0.000993741643137101	0.3968234684647711	0.0029632210966115727	0.0	0.0030595661150725913	0.0005670922338347153	0.017014637705393163	4.2145764625994164e-05	0.002834078837245672	0.0004617481669879788	0.0018001918156264078	0.0	6.034016414509076e-05	0.0	0.00035116631047148265	0.009802346583715668	0.0006337358005644137	0.0022178928273876163	0.0	0.0029253025682233484	0.013203014110128567	0.0	0.0	0.003803444284128239	0.014295906963109183	1.0033161655798153e-05	2.702349500379759e-05	0.009856509399996516	0.001116114878245963	0.0	0.004551830639998654	0.0025295503408125724	0.0	0.0008156024569947922	0.0035267115300052416	0.00014104043007992902	0.0	0.0007371777097389834	0.002741338603108108	0.00027586663635531506	0.0019094479174872234	0.0002295881272528489	0.0004987874502772022	0.0011718978864492936	0.0021620836014447356	0.0008446348441903761	0.002718551321172273	0.004129497772203929	0.0037344891709498907	0.014765083581972739	0.0014854909303972377	0.003180573379190231	0.001370717327841393	0.032580834165259975	0.005994692097760544	0.008007785956911075	0.004673961514831966	0.0066977910506011385	0.0016448525279454253	0.0065020338082308095	0.00017135003903717135	0.004858578408608361	0.022844203768758117	0.007583882991087056	0.02187887749038861	0.0022215440433014343	0.00030356926114558964	0.008519344106038705	0.010057332517867749	0.004922843521775279	0.006772105841462975	0.0	0.0	0.0	0.0	0.0017939677924254025	0.0	0.00300635737828755	0.0017123831748909355	0.04100816247840522	0.0027587253163939493	0.00037242805939958893	0.009754551464169694	0.0	0.04568002860939675	0.012204942020723995	0.008746335458633011	0.0	0.027191108333485998	0.010637168966610142	0.00023331022954993733	0.04125133151968364	0.0	0.0010571947082325818	0.004739398356043361	0.002561578656595654	0.0007456148298296963	0.004600656167698024	0.0008840062677007185	0.0010630159617168052	0.0	0.006662381325555904	5.535140949049568e-05	0.012385885267579557	0.006692028469600614	0.00927377912048962	0.008409074509233784	0.0	0.0	0.0	0.0	0.0015121102930048843	0.007623846455995019	0.005917473918873095	0.011791285780588197	0.0061643368457868445	0.0009543524441521952	0.01619402969255954	0.0	5.716897536153835e-05	0.017812915795582057	0.005352974238657389	0.005242019711630714	0.0033609449628046375	0.002252009078989764	0.009371152262343228	0.014731599653439384	0.001806700589209681	0.0064851978427322935	0.011223698921213717	0.003004643522817845	0.013252235964344768	0.0027486142269180333	0.0018940598010268146
+2,3',4,6-Tetrachlorobiphenyl	0.00018160099440520135	0.00031739692567582436	0.004435455616109663	0.024650759765651377	0.0007994162388624089	0.30864233488440734	0.005362111458593592	0.0	0.002331933184978391	0.0005151078308111068	0.012279713312499087	2.520771867385816e-05	0.002126860632859992	0.0002186933897413642	0.0007464643727841706	0.0	2.7784167596952643e-05	0.0	0.00047566645028115315	0.0074688498811833525	0.0007932233323841149	0.0017438552696122903	0.0	0.0026118659654103663	0.011705413912349562	0.0	0.0	0.003463719365277156	0.013634511158232209	8.25323017097028e-06	1.3759764861842429e-05	0.008380937301271414	0.0009562305548818481	0.0	0.003942509125876236	0.002502688090539613	0.0	0.0005821487239895426	0.007658668425576743	0.0002150318739231299	0.0	3.144537617505906e-05	0.0005124957700359924	0.0	0.0015198417336179995	0.00017391032877005295	0.0	0.000773637865232201	0.0005384322443752652	0.0006837875000177292	0.0027562581131493577	0.003027517839530521	0.0030233147869892295	0.023837253373285096	0.0009616301217128061	0.006071617846792907	0.0011275454332458263	0.02472481913922142	0.005284174083893319	0.007002946083907535	0.00511549050256136	0.005703592445055236	0.0012950127345095132	0.004454662605194465	4.998414038777805e-05	0.004047386519121375	0.017090779139950947	0.006409112505650794	0.016403956802201528	0.001919963154907998	0.0	0.006206866431680167	0.00867338605048478	0.004357235545517353	0.006246022056630385	0.0001076208839068908	0.0	0.0	0.0	0.0015502975653652943	0.0	0.0023192451802979547	0.0014169231732178407	0.008899038734586171	0.0034218299554357417	0.00022334893144453191	0.010986877596428935	0.0	0.03460320073477842	0.011590988515482814	0.006745459828300373	0.0	0.02110862353321442	0.008866283302313822	0.0002016202756667529	0.036992453508156733	0.0	0.0013263093448672133	0.004089864128833169	0.0019557358349423177	0.0006786272701155598	0.003966482440578671	0.0006755062839824205	0.0011873822967127551	0.0	0.017880185723830475	0.0	0.009154940040546063	0.005801296489439316	0.00801092395736997	0.00812567131735729	0.0	0.0	0.0	0.0	0.0006817602819608371	0.0040597552461270805	0.005201886170985176	0.008690816545862222	0.004669413267696919	0.0008480809089117747	0.013154335512439613	0.0003759968735421899	4.9403854233969925e-05	0.01697595586768524	0.004311440710760383	0.005593254839887491	0.004156964751901235	0.0016180930256790994	0.0010200155104124321	0.013799975671381106	0.004270580044679127	0.004826062280548524	0.004567493503994706	0.0033271205584680004	0.027058543140504914	0.0023254911548765975	0.0013945059534445643
+2,3',5',6-Tetrachlorobiphenyl	0.00011730479803551904	0.000346158586431801	0.006971119916163683	0.026555950636172457	0.0005127952885911594	0.32663950809250425	0.0026436595793551086	0.0	0.0024116371052811557	0.0006112521949719076	0.009810167181993752	3.532316216766992e-05	0.002141423615431542	0.00022904835072228293	0.0009735167248042891	0.0	0.0	0.0	0.0003105300291451726	0.009901054087570544	0.0	0.0015394091651996565	0.0	0.002800763408949404	0.01188288606201208	0.0	0.0	0.0018586800422564162	0.013263907950334417	8.682948653070247e-06	2.265792582623592e-05	0.009300055255876937	0.0010482525875832108	0.0	0.004374874957230117	0.001861796543725882	0.0	0.0005457337148415024	0.0032392097156749527	8.260408877047491e-05	0.0	0.0	0.0008794031005333644	0.00019701863491569015	0.0014958196462103433	0.00019277813948562707	0.0	0.0007015369902340167	0.0009663528726800627	0.0	0.0006813833888595041	0.003463260625422583	0.0	0.012983033112023583	0.000802901216737164	0.002693539642245881	0.0011862530061640534	0.024034469900711286	0.004975107325365535	0.007102405114827152	0.002303962856927545	0.0043429614898289025	0.0011542100963377808	0.0036518362166439093	2.5087537101020982e-05	0.0032049402955554125	0.020597531082220857	0.00710917237622359	0.018446699088406095	0.0	0.0	0.00675516564083585	0.004589753774174059	0.003545323190545001	0.005866900229523054	0.0	0.0	0.0	0.0	0.001093994291927625	0.0	0.0015517608896405703	0.0010976177290046463	0.013681909954468838	0.0	0.0	0.0078864780554155	0.0	0.0378195115189683	0.008993262125115465	0.005470730473187071	0.0	0.02336903522468459	0.007680915591122743	0.00014227683487610262	0.03601321808442816	0.0	0.0007514218019937484	0.002320718159343159	0.002333158338671248	0.00012267129961443543	0.004117489212693402	0.0005639759814312941	0.0	0.0	0.006148518931980295	4.786801153934606e-05	0.005442452289922075	0.005218772924125463	0.009128056988973007	0.0035583114070546506	0.0	0.0	0.0	0.0	0.0008695877613283065	0.0066428619715607545	0.004674884269636379	0.009164000713578771	0.00517600540808776	0.0006050554711517754	0.014174528859676473	0.0	3.486268426052284e-05	0.015299988458382409	0.004245817360094352	0.004186841864320422	0.002679777002818628	0.0008243813594767406	0.007212104035453055	0.011056945305279018	0.002274753994649897	0.005351572214598819	0.005456499545454722	0.00022121093139712333	0.011862652267819662	0.0012517947880559298	0.0006311016195469933
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+2,3,3',4,5-Pentachlorobiphenyl	0.000143826950069267	0.00012774998456195207	0.01061761259710451	0.013765562710163102	0.0004572644998052856	0.0048828261311634254	0.005484733720748236	0.0	0.002044809772101748	0.0005214196763465666	0.008420602687655503	3.7533480654870493e-05	0.001450368442952482	0.0013430268603107566	0.0003348342472676787	0.0	0.0	0.0	0.0003425534941276437	0.013735747995770235	0.00013375833055850826	0.0009127574504779206	0.0	0.0024539758262536564	0.009038736482865302	0.14188109464546572	0.0	0.004773613358708763	0.03346641651945116	7.885923311617365e-06	1.061337957241669e-05	0.004602887508618449	0.00021492273565500977	0.0	0.0021652621127898216	0.0037736743476577414	0.0	0.00042858845221655466	0.0024378841830529014	1.620216013269108e-05	0.0	0.0011239284639190156	0.0007706078344192351	0.0008372959138249183	0.0015453798443653707	0.0	0.0	0.0005087027082690306	0.0005168827151042865	0.0003842831257489169	0.00046368160118477885	0.0	0.0	0.016437691376519112	0.0012010696045837322	0.006464212222336813	0.008118915417978571	0.01361670332948334	0.0017170824308340676	0.011599966300632479	0.00019550749447700108	0.0	0.0014002676142843985	0.008292191033362137	9.475423049706074e-05	0.004605183297279224	0.010493935473194929	0.002518722053439393	0.0007622618219298094	0.0	0.0	0.0021267049192941452	0.007863171958076034	0.005994578954855107	5.18175414088713e-05	0.0	7.560962299988376e-05	0.0	0.0	0.0	0.0	0.00018920618395715965	0.0	0.007914447345972651	5.047576738083553e-05	0.0006084346606852537	0.011704840667934592	0.0011294779154754457	0.003148310194428282	0.013823021726211799	0.004356292313485923	0.0	0.004526479930636806	0.01203661443573899	0.0	0.005631623106799751	0.0	0.0023442136585867974	0.0015616098804564424	0.0013979993863247606	0.0006366400291769144	0.0031025939164705547	0.0004975343441454957	0.0	0.0	0.004663233191783093	0.0	0.004491525862042906	0.008064021563446738	0.011964296716015762	0.008008011566656273	0.0	0.0	0.0	0.0	0.0	0.004746299881368717	0.005659927834360891	0.009036487335431706	0.0	0.001543270299803611	0.0	0.006523726661219609	0.0	0.031412766742294616	0.0016386177123944663	0.008940049909717427	0.0038264744706120214	0.00042000202631668336	0.0013083967957378598	0.05113384857721843	0.0648192923295096	0.0021494021688461223	0.004893029508313408	0.0011016615805217044	0.006608101098671706	0.047463004816979626	0.0015576518817707419
+3,3',4,5,5'-Pentachlorobiphenyl	0.00013614912565205982	0.0	0.010498366148689034	0.004893611770693679	0.0003119632526500603	0.005128211073721004	0.005315733621085792	0.0	0.0023572991792484128	0.0005238083010261886	0.007965988979040838	4.055109598205911e-05	0.00182747817751196	0.00020330108486582655	0.00022045561947590006	0.0	7.754545075302235e-05	0.0	0.00024090181070667528	0.014995223442513535	0.00013201094242222596	0.001074021872077754	0.0	0.002565405384494545	0.009198135555760469	0.17211795220228807	0.0	0.0047954812919626015	0.033550171849329	8.520281102817782e-06	1.3174545220630396e-05	0.0054362881152084834	0.00028502322597186104	0.0	0.002255270228763809	0.003946070999171437	0.0	0.0010063208599839987	0.002008983599692729	3.546873098993928e-05	0.0	0.0006340662390943214	0.0006961224643375195	0.0006163940428361985	0.0017602818998285145	0.0	0.0	0.0006260114307169521	0.00046707765542795186	0.0	0.0005386401075388426	0.00010176373669694201	0.0	0.015452512356675548	0.002137919624270271	0.0023973916438560145	0.008267577140411061	0.01185840609149137	0.0021182924037770378	0.009752841205375973	0.00018756720366087397	0.0002435126140660521	0.0012833917521463997	0.006971780804967849	9.714280609054461e-05	0.004245801829295479	0.013916700495156979	0.0025560264310730482	0.00126857521291902	0.0	0.0	0.0036620440700659684	0.00718157231648011	0.0060392404382839165	7.586276799375477e-05	0.0	5.481719223244758e-05	0.0	0.0	0.0	0.0	0.0002390918923969541	0.0	0.007630388548422668	0.0	0.00048496721428661937	0.012409004282468805	0.0011550209705480595	0.0030204455384466203	0.011821900900749837	0.004234064366267277	0.0	0.004570418861665105	0.01029410687896223	0.0	0.005039544846252353	0.0	0.001460351003400421	0.0013974307008238595	0.0017368280150085228	0.0006883332488629822	0.0034578338123955475	0.0005830413443607896	0.0	0.0	0.0036356323442008954	0.0	0.004264410965142097	0.00815556518460292	0.012519306220980589	0.005995533412142009	0.0	0.0	0.0	0.0	0.0	0.0038727400215702182	0.005628709882605806	0.009081929569428337	0.0	0.0016478483532500342	0.0	0.010001161880437459	0.002105598872907289	0.02857007532105051	0.0006849043905346247	0.007327895890460925	0.006604297687708979	0.0007826110265507567	0.0012426643716728003	0.04560593311584217	0.0563904602575609	0.0032951287129455954	0.004896273322687428	0.0011789895283169111	0.005254850269040215	0.048907754675480364	0.0008857785088287146
+2,3',4,4',5',6-Hexachlorobiphenyl	0.00017538054671178106	0.0	0.005479204501767822	0.001978470283174986	0.0006736184319633652	0.01111682609079404	0.008564873390149878	0.0	0.0026586668412455906	8.079292075868307e-05	0.009538165352417102	7.9085820217788e-05	0.0011628380937200612	0.0018929747203176414	0.0005652938554354951	0.0	0.00014189147934952326	0.0	7.896042589781227e-05	0.013812897021535807	0.0004443958687429408	0.001150291503601595	0.004109214328026539	0.007709091839636558	0.0053130474735103884	0.02806603325960233	0.0	0.0013440959785276246	0.00586319649504782	9.002158413643712e-06	5.042735807480824e-05	0.0035320887990158783	0.0002641599728526122	0.0009266313430873109	0.0	0.004220702945098966	0.0	0.0011836450217309138	0.00033458788498146063	0.0002341128819989114	0.0	0.0032649676405781375	9.98176950933213e-05	0.002713560017108849	0.00042767546829821745	0.0	0.0	0.001171973110269845	0.0007607173144128361	0.001073942906933205	0.00034985144511278944	0.00018141481718124018	0.00032318213127142167	0.015498345221577885	0.002497480553471759	0.010214204360821964	0.012740046910960133	0.008306199947262416	0.0030155296273532348	0.0	0.0012811287219228749	0.00041632204047988355	0.0011676496761143414	0.0034113314257820052	0.00017778875249083422	0.00622757996414425	0.006286877313410319	0.0023350393309899907	0.0011733340302697085	0.0015379195789188308	0.0	0.0020422294754594873	0.0028052294482030396	0.004318370028064752	7.809906265165646e-05	0.0	9.602838822127653e-05	0.0	0.0	0.0	0.0	9.783513632785496e-05	0.0002700862985657213	0.0064604847610905645	0.0	0.003675961623680832	0.017187040845701097	0.0	0.007696524963173899	0.0	0.0053088694496666615	0.0	0.0030038182798989544	0.0	0.0	0.0029725390398766434	0.0	0.00766178011464048	0.0022777841956950024	0.001061236452966866	0.0007991189215536439	0.0033023248454431007	0.0005603414776695912	0.0	0.0	0.0	0.0	0.005306364069826535	0.007789870550823084	0.0033849089604240006	0.011475663824356717	0.0	0.0	0.0	0.0	0.0	0.004241737729089276	0.0028084642974345775	0.006915322386229647	0.0009563982465005737	0.001628183118270693	0.0	0.0038042258520450253	0.002776021198066971	0.010103064535055065	0.0	0.006398613805956297	0.008606469508512748	0.0058210279346312	0.0003947772599092958	0.013370915442759866	0.007475119164535322	0.001528190590185057	0.0026313282065809625	0.019308216306679987	0.0132833529145279	0.0030301457268122364	0.0035185253181793923
+2,3,3',4,5,6-Hexachlorobiphenyl	0.0002153503408590129	0.00012008328460577842	0.005709151912542146	0.008372584598005424	0.0006552400458690058	0.0104670515662297	0.0055842288960158675	0.0	0.00047357720926530857	8.672179632742083e-05	0.008459727096823326	7.140710485199414e-05	0.0011996788570479333	0.0038863448723637124	0.0005577614018145573	0.0	6.365588048808924e-05	0.0	0.0001796895944336003	0.02588879014389742	0.0005449524284183157	0.00019239891677682368	0.00011816617701333644	0.000546112104162554	0.001416217552505221	0.021706276505500926	0.0	0.002573811434380866	0.006403544198713001	8.872810685172195e-06	0.00032508801973587235	0.0028511449253101903	0.0003255951353171679	0.003609418761927955	0.0	0.002913438114366617	0.0	0.0007331792666546514	0.00016069237342217923	0.0	0.0	0.004292065244513766	9.838346215402808e-05	0.0021936615163109367	0.0004782143621859115	0.0	0.0	0.0007946914340682201	0.0006836691309599115	0.0023360337263928074	0.000340894299369949	0.00024632305479439114	0.0	0.014833405458971296	0.00121088412362512	0.020830015194425056	0.006639947869753366	0.010102416870392303	0.0020604739506502132	0.00469768508897106	0.0006065911874526064	0.0002156857071241291	0.0007854747299709206	0.0016294295993072659	0.0001429025157020065	0.002935933025991927	0.007154997822654559	0.0020938470968374675	0.001554069209336138	0.0022037114101183665	0.0	0.0013345270935698008	0.0033880085449839734	0.004342181422087125	5.634718949257636e-05	0.0004737585108733102	5.5979002183445035e-05	0.0	0.0	0.0	0.0	8.986353113879201e-05	0.00038701130151704065	0.004747976868242211	5.079690771118012e-05	0.0029445737926472445	0.011341844667748683	0.0	0.009768102365671986	0.0003857625124443217	0.005084988555857258	0.0	0.0024828984206408354	0.0	0.0	0.0	0.0	0.005444498478869494	0.002082773536512433	0.0023961477561537637	0.0008186818792136729	0.000977258031613621	0.00048117849409131725	0.0	0.0036942592927341734	0.0	0.0	0.004705076287857473	0.005576514622647385	0.005467106824047026	0.009226685585623642	0.0	0.0	0.0	0.0	0.0005604812802654901	0.0020079099838177157	0.0030819042373373923	0.005637896286001665	0.0	0.0020938172996026383	0.0	0.002764826820095449	0.002830111247937246	0.008398481738854598	0.000894521983195737	0.010489744481258593	0.009537532807066226	0.0008030417745673196	0.00038634375635329964	0.010451147978492422	0.007610318944689801	0.0008070258602637543	0.00301050320566239	0.018298735260119037	0.015916847115342542	0.004411534847378718	0.002831921958497354
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+1,2,3,4,6,7,8-Heptachlorodibenzofuran	3.134093600707875e-05	0.0	0.014648718291908542	0.00012711763389047833	9.992437679492779e-05	0.0013353716301085265	0.012170025842492545	0.0	8.547086323457538e-05	0.0	0.00028776973215195213	0.0	0.00019271459660226143	0.008391499322642831	0.0004086374259015642	0.0004326509492609561	0.00026278246378801215	0.0	0.00010682282028956895	0.001282587792939802	8.208598549185488e-05	0.004618621211862836	0.0	0.0	0.0	0.0	0.0	0.0	0.00013739689288841256	3.526060043613655e-05	7.049006329814776e-06	0.0030528316787664265	0.0	0.0	0.0	0.002423033551574612	0.0	0.001907511089290096	0.0	1.8306526974997917e-05	0.0	0.009423225109822369	0.00012156671388448211	0.025050020092970384	0.0	0.0	0.0	0.0007282565907464488	0.0004946787879666295	0.00897460312269583	0.0	0.0	0.0	0.0003983426238619483	0.0002220088466931559	0.007875283291644494	0.013305941018881778	0.0011513080769434466	0.0032486704061387562	0.0	0.0	0.0010845397437217064	0.0002470358810277828	0.004129526110363231	1.451647841818756e-05	0.0034058511931257876	0.0	0.0	0.0003381329844846548	0.0	0.0	0.0	0.0017169110501129344	0.009546731847170128	1.5609091552352755e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.00018318866308220718	0.0	0.0	0.0	0.0	0.003656815359316877	0.0	0.000485196571181608	0.003647151052123072	0.0006641297961501605	0.0	0.00101556725943229	0.0	0.0	0.0	0.0	0.0	0.0	0.0006628270181107022	5.192681076369182e-05	0.023676033211946338	0.0	0.0	0.0038525341727208206	0.0	0.0	0.0	0.0025998793550858755	0.0	0.0026690176216874256	0.0	0.0	0.0	0.0	0.0	0.0006469274379077646	0.012938646641930498	0.0029605703145237318	0.0	0.0	0.0	0.0	0.007709269518727494	0.001496187058073765	0.0	0.005681875509557457	0.0	0.0010450858831411475	0.0002865746926568713	0.0	0.0	0.009993221177825763	0.00543405561771784	0.0022536153678406755	0.0	0.000425478023883122	0.0
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+2,3,7,8-Tetrachlorodibenzo-p-dioxin	0.0004057799130902963	7.755702362102792e-05	0.0014718155976762358	0.0	0.00018858398452787723	0.015169569039955252	0.0	0.0	0.0	0.0	0.00033452658027841525	0.0	0.002344873887337738	0.000981507305412847	0.0004787892869293809	0.0	0.0	0.0	4.1429460936950845e-05	8.363574242794103e-06	3.5674522698314804e-05	0.0014379235481350044	0.0013162057253835987	0.013921644098128365	0.005902683490433668	0.008212385312812253	0.0	0.013625712973790817	0.0018242946856178194	2.114520664482035e-05	0.0	0.02591679855003745	0.0015592330040958427	0.0017987326308259953	0.0015095763459038766	0.003285304495897924	0.0004797336867921538	0.0007824027569513136	0.0	0.00037517182857013193	0.0054880883113553785	0.002078339969970592	0.0002344621914627735	0.0	0.0015459927149674918	0.00018844311528568199	0.006351197277670447	0.0	0.002493092415435731	0.0	0.014123799066556069	0.0	0.0	0.0003420660375130491	0.0	0.0005465970742767635	0.002888830275359147	0.013959796882282617	0.0014951398391647352	0.00236083614371948	0.003762157564208391	0.0002459611345484338	0.0005503677694372687	0.011468512831043247	0.0004088602603138921	0.0007306728508748087	0.025856797456098344	0.0017363682912198012	0.0	0.015590591069304759	0.0	0.004314318698323767	0.002809822320071029	0.0048817667705555335	5.7034692434369555e-06	0.0	6.483099396683973e-05	0.0	0.0	0.0	0.002480295496791775	7.67370040168222e-05	0.002737987793432307	0.0	0.0008076500931874955	0.001936466319841482	0.007511523409916032	0.0007090771516144681	0.0	0.018945458515501567	0.0016956856833715292	0.0	0.0016909063337743756	0.0029708391718022225	0.0	0.0	0.0	0.0	0.014734992226586916	0.003613766469857388	0.0010445141875736438	0.00015744409344996762	0.0002066906933519887	0.00017813440753515312	0.0	0.003189013512240844	0.0	0.0	0.0019799425583188804	0.005284429705138378	0.017014711992287334	0.006100350533981912	0.0	0.0	0.0	0.013459402367830043	0.003723015507899074	0.0029688068253227212	0.0031622685295389402	0.0	0.0007537759115061112	0.0	0.00107718349833268	0.0015888431038929964	0.003350548077427984	0.004544582400703544	0.0025788623929476795	0.0030432273481387877	0.010238048457252208	0.0024270066002651017	0.0339623819116988	0.0	0.004257119068418422	0.013068798881269866	0.0018691210121790172	0.002520480889215828	0.01235866490171073	0.007897398917477913
+1,2,3,7,8-Pentachlorodibenzo-p-dioxin	0.0	0.0	0.008108966444240306	0.0	0.00039133788657841746	0.0	0.0	0.0	0.00024081787014358793	0.0033764057765126427	0.0025788464055228545	0.0	0.00047646388870080007	0.0004605375609504566	0.0011695507347701593	0.0	0.0	0.0	4.416404602460796e-05	0.0	4.999739056255884e-06	0.00010890789357535431	0.0	0.016453830780145735	0.0021350258588160756	0.0	0.0	0.007469036539022833	0.0011820281948950117	0.00013384987999747638	6.54123184026421e-05	0.0	0.0005723236068863196	0.0	0.0003458894389281437	0.0021175129303779377	0.0	0.0019514837101524277	0.0	2.3581934741398155e-05	0.0	0.0	0.0003075910210345611	0.0	0.0005256994817116489	0.0	0.002135117446496037	0.0001459481272178341	0.0015333078477704717	0.003227964619185077	0.00020828810810372332	0.0	0.0	0.0009056477421228784	0.0005411467150148996	0.00023218051269598296	0.00646971266376831	0.0	0.002209757375624343	0.0	0.0017075247490107139	0.0008070282863983463	0.0002912618431194693	0.002542304389302012	6.613056220807762e-05	0.008715440604013122	0.00887458255508288	0.0005904348073037231	0.0	0.005886082541220552	0.0	0.0014670412620252035	0.00340385644538149	0.00417970103038415	0.0	0.0	0.0001716834314076487	0.0	0.0	0.0	0.0	0.0001540386667607905	0.0010337018062597132	0.0	0.0	0.0037118402749018063	0.006691574552747524	0.0	0.0	9.332781990287622e-05	0.0008395963333520999	0.0	0.0009097257371260345	0.0	0.0	0.0	0.0	0.0	0.005563059162054043	0.009292646157321402	0.00027588620151666645	0.0012812509867950685	0.0001858492005028584	0.0	0.0	0.0	0.00010289661288771498	0.0012886304264945036	0.0014764955739118685	0.0005208659322776548	0.006423746139995735	0.004267210396415941	0.0	0.0	0.0	0.0	0.0	0.0012547842672669008	0.0011578317397372205	0.0	0.0005621106493135503	0.0012783703415572452	0.0	0.005581977079838365	0.0013685027600641316	0.0	0.0011274677931409683	0.0022117921945005027	0.012222461408361618	0.014347692076702058	0.03271829300890243	0.0	0.005756059131183182	0.007324747716615302	0.0032345680524974753	0.007740771366143187	0.0006241010084869827	0.0006195253292612322
+2,3,4,5-Tetrabromo-6-chlorotoluene	2.2603123829266245e-05	0.00015955540221368014	0.004920082191644027	0.011873009379392263	0.0021903367930598302	0.003309723427901003	0.0	0.0	0.017427049367703604	0.00393604243223867	0.0	6.752116756598534e-06	0.0007057067736403049	0.0025875921426339746	0.0004340063920887938	0.0	0.00018308914827986874	0.0	1.1106235429164489e-05	0.0	8.210924877366204e-05	0.009371583358200727	0.0	0.0013565627089094042	0.0007943548461586791	0.0	0.001941111524895944	0.0020649256055075434	5.8895586396237575e-05	0.0001781764334637044	0.00010953507050362671	0.000947866525003335	0.0003365984647717369	0.0	0.0	0.0012099719432612697	0.00021949917372794236	0.0027457115575749663	0.0006719544245193221	0.0	0.0	0.0	0.0005903678471249283	0.03153296594151388	0.0	0.0	0.0017589164359715687	0.0020017615934373907	0.00041443431118111515	0.0031233489002196204	0.0003789508235217187	0.0	0.0	0.0001506271271769835	0.0007423608141390734	0.0053337911936183315	0.007273976668617285	8.632665152899368e-05	0.001172746774948184	0.003681250588264674	0.000488949199481273	0.001625733245492968	0.0031879974456557876	0.0010204904694746048	2.7589908774767545e-05	0.030608047635641296	0.0006110745985682985	0.005164124270717621	0.0	0.0023626954982780674	0.0	0.0	0.0074401025863184405	0.0064748645914677015	5.915211553131189e-06	0.0	0.0	0.0	0.0	0.0	0.0	0.0002566187473937183	0.0004149317626975184	0.0	0.0	0.0004685593525219381	0.011946979377096415	0.0	0.0	0.0036076407461288606	0.0	0.0	0.00048299863010672466	0.0	0.0	0.0	0.0	0.0	0.004325478176346113	0.012096721538076163	0.0012585299875131411	0.030373006707712223	0.0	8.000099553633078e-06	0.003298221187661408	0.004537679304700606	0.0	0.0	0.002484844546510281	0.0	0.01276552311534304	0.0	0.0	0.0	0.0	0.0	0.00018338582469306397	0.007195286988223507	0.002427756724915065	0.0	7.933651705264037e-05	0.0	0.0	0.009673065559178191	0.02646363627799413	0.0	0.004723561583163023	0.012619654151299661	0.0	3.892004389317214e-05	0.0016987741964394876	0.006557918802367526	0.0037664341831263205	0.002404342215360555	0.003857756537904912	0.0	0.0	0.006967242239552254
+2,3,4,5,6-Pentabromotoluene	0.0	8.383112667767196e-06	0.00547394285402909	0.01215496994897633	0.002010613692804104	0.003525717585651196	0.0	0.0	0.023639354108596425	0.00559041038135692	0.0	6.7353189010854304e-06	0.0011353925360997736	0.0032054682480771833	0.00046411622124819217	0.0	0.00020628679974069838	0.0	1.7801230035236334e-05	0.0	0.00012401245911050347	0.010115258459085433	0.0	2.9268023110556256e-05	0.0013601407282862786	0.0	0.003323684441435961	0.0	0.000101927405823449	0.00022786438767773224	0.00011668338238313116	0.001337999368392771	0.00031417547438280927	0.0	0.0	0.0014404403863099739	0.00029885572773985915	0.0030859836187121935	0.000676135141873129	0.0	0.0	0.0	0.0006603799282032466	0.03482853708328225	0.0	0.0	0.0	0.001406208811290858	0.0004725169375969572	0.004243726271642683	0.0002657905479883106	0.0	0.0	0.0002859778026202134	4.330046545361215e-05	0.0004760804983829795	0.008136601973781072	0.0	0.0013282640682265173	0.004626653106993098	0.0006901960379704226	0.0018016477066859651	0.003487699782240355	0.00016861397450670777	3.918629310797995e-05	0.03539300249210541	0.009237374265493625	0.002924837670616312	0.0	0.0	0.0	0.0018720497512079105	0.008361685813500289	0.006848990093348337	8.03705877002151e-06	0.0	0.0	0.0	0.0	0.0	0.0	0.00025386294537577424	0.0	0.0	0.0	0.0	0.008463777466763092	0.0	0.0	0.0010693060717683006	0.0	0.0	0.002531557129400688	0.0	0.0	0.0	0.0	0.0	0.0	0.017020840293996062	2.673690704214438e-05	0.03405630350404199	0.0	0.0	0.008738642553358109	0.0033958101665293857	0.0	0.0	0.0	0.0006646622451416151	0.0	0.0	0.0	0.0	0.0	0.0	0.00061904041021401	0.009181974193763659	0.002874429449281387	0.0	0.0	0.0	0.0	0.010683509742311829	0.00048129752201680993	0.0	0.001381960658442851	0.0072971538291827336	0.0003697102883149051	0.00033014914293125826	0.0	0.012126283439643998	0.00511749285909823	0.0020388415214455035	0.0018117202089074785	0.0	0.0	0.012883165640747095
+2,3,4,5,6-Pentabromoethylbenzene	5.9131737134797456e-05	0.00034185349988322036	0.0067268987270090955	0.025754554852876387	0.014569540145583669	0.0032507168303904524	0.004142516946186288	0.0	0.012424675122993256	0.016609536935775427	0.0	2.2100880676692545e-06	0.003685419129286543	0.0037661916075004426	0.0017216362201666316	0.00010910474390191585	0.00032922730814375246	0.0	0.0094039760513458	0.00032343951381467344	0.00047703336233227933	0.010187182877756114	0.0019193581261879953	0.0	0.01166720364394478	0.0	0.003546070390632204	0.0054202751468424345	0.0008795733716630105	0.00020586161793414024	5.120306617144189e-05	0.004733915275571215	0.005838258294719143	0.002623003399266635	0.0	0.005065436762685847	0.00019780911711417265	0.0033317064534546512	0.0004963475770516853	0.0005966048928218903	0.00017310756269431693	0.0	0.00036470988325097893	0.027662291110080475	0.005357929039434212	0.0	0.0	0.0014863804711430276	0.0013407679558836488	0.005335246856733143	0.0012047016999547735	0.0	0.0008834339317091944	0.0025753105647225924	3.794240186185424e-05	0.0010352812159747599	0.004493624093014628	0.029675652137343266	0.0059876347467603475	0.0034555416617923626	0.0	0.0013609851655050436	0.00196798276713214	0.00517451435943337	0.0033085497602491666	0.029391852155278637	0.04227664588786765	0.005731658650181099	0.000242428611401628	0.0015776590201653352	0.0	0.013449309697066304	0.008635680462846278	0.00791736079449501	1.0104255033286754e-05	0.0	0.0	0.0	0.0	0.0	0.0	0.0004167402221096709	0.00027706525815532725	0.0	0.0	0.0	0.023097159755175106	0.0	0.000347867662741215	0.0013443402078992166	0.0004761560440976037	0.00037354119060329136	0.0028082940930698615	0.0	0.0	0.0	0.0	0.0	0.0014910783879201318	0.023307383801547187	3.3613854929467475e-05	0.03539248266238568	5.794227380374752e-05	0.00040506018197882285	0.006506923676119814	0.0025075140885268406	0.0	0.0	0.0	0.003012596733323547	0.0017217701196074319	0.0	0.0	0.0	0.0	0.0	0.013133612724096341	0.010677919645384861	0.0025704316423168757	0.0	0.00014254893565498458	0.0	0.0	0.008496542311677312	0.0	0.0022873467016069383	0.004566674735524449	0.005032412057468311	0.01913261935561452	0.0006046197177950974	0.018434581022296642	0.007585677235255079	0.007020754492980336	0.010345156173327841	0.0013165575839475389	0.005978699979710266	0.0	0.012069360477371333
+2,3,5,6-Tetrabromo-p-xylene	9.903236733519537e-05	0.0007533904404908649	0.0019395266211099528	0.03667791299038931	0.12846566817467278	0.008278346412982533	0.0	0.0	0.00461164548428917	0.021931013590509703	0.0	3.3065882345186426e-06	0.0032371079723658536	0.005304979940839175	0.006848406703505302	0.0	0.00033875806547830397	0.0	0.00447687131041579	6.441651933023127e-05	0.0002018008328222449	0.013199393154087793	0.007722014980637458	0.0	0.006798070090243392	0.0	0.0013452793860938856	0.0028476455809177755	0.0014375494422326281	9.351872261266732e-05	2.801541323920594e-05	0.0400997652760162	0.009974733139381235	0.01055294020799953	0.0	0.005868061537782945	0.0	0.0021002857873785113	0.0	0.0022253529202958485	8.24098526847357e-05	0.0	0.00022892712089676775	0.01476972090231713	0.0020229130900284663	0.0	0.0	0.001392594625830826	0.0020426696302613843	0.0	0.00045944077007944366	0.0	0.002200824291975501	0.014418033811042986	0.0	0.007809260872463542	0.002820632160654305	0.034161447733812154	0.012070949164119228	0.0	0.0	0.0005873094541500182	0.001337699531114045	0.018541081104189623	0.0018865743780357243	0.012859538384580744	0.01596755933637293	0.002181264075714923	0.0	0.0	0.0	0.005599257071522986	0.010032950887698108	0.001438709516015406	0.00023147325284697645	0.0	0.0	0.0	0.0	0.0	0.0	0.00037547720974114864	0.0	0.0	0.0	0.0	0.011206814453663656	0.0	0.0	0.0	0.0	0.00017782859402657762	0.002248919565801854	0.0	0.0	0.0	0.0	0.0	0.0	0.010908566042477783	0.0	0.019140247660886615	6.160879725110951e-05	0.0005539171947056781	0.0	0.0	0.0	0.0	0.0	0.0011489232256822984	0.0	0.0	0.0	0.0	0.0	0.0	0.03168179976024623	0.00156508614505705	0.0	0.004562794860092325	0.0001515692757394238	0.0	0.0	0.004545455801223034	0.0005082630641949956	0.015469280470504079	0.0030849890880181733	0.0020815538350330903	0.05844955656864757	0.0013007015205644063	0.02053146316816437	0.0010341974171911277	4.241121894800366e-05	0.0005808099861630447	0.0005259878492571163	0.0013292834042759444	0.0	0.00490825025801484
+Allyl 2,4,6-tribromophenyl ether	0.0066945841562099095	0.00029452130991727837	0.02078506040685554	0.0031874571726534543	0.03858715953599942	0.004945221804736861	0.023516715963769943	0.05418524971477422	0.019599141463606667	0.03479728594438127	0.004511045421046507	9.759576003959291e-05	0.005359975723243548	0.012564144987915698	0.012832941995115331	0.010767568618203879	0.00020613554869457928	0.004936365147202287	0.0044525071037201415	0.0019321642841999785	0.0025706523404647147	0.008601986631816487	0.32690281435281165	0.008367113994371634	0.011461456545077483	0.008138155199034434	0.016211878743735822	0.019270487413724093	0.007186699948874081	0.0011602813725997967	0.011453138964658285	0.012573050946747584	0.009243733564747107	0.004118610207779826	0.004336709179733335	0.08329870377580452	0.004008044746826352	0.011807996360947455	0.007093710652686066	0.0007053734590875025	0.0039606688407569385	0.012921062861135417	0.000362932789606126	0.005890282365787309	0.004626547230431588	0.006407453909696051	0.014063839075689713	0.1317690208347599	0.023287512918576548	0.01175014758972072	0.0005003155233385306	0.0	0.0031110085409739364	0.023566226721853052	0.009077951742246104	0.01938055390239394	0.014029033400956554	0.023376771160969305	0.018673976955634018	0.016100446893163412	0.0057222522806829965	0.0021128315733533404	0.01075729297228943	0.014983203895575357	0.0014843611022747262	0.04824671843820684	0.014893532910376777	0.011948110310045747	0.0027082482296320186	0.00627414656189156	0.0	0.01354064891402678	0.013609538723497995	0.016021383147452637	0.003428690909613822	0.0008501043891463876	0.0008593426034698436	0.0023759579072461182	0.004288313537415737	0.0	0.0	0.0004680568650194636	0.0018605238133348463	0.05901475006698543	0.07778441798848841	0.010143318775567473	0.008735607286529388	0.0004602565338546918	0.008742671936872384	0.01061099373390464	0.011283615002882458	0.00012207635413451822	0.006298035134903879	0.014765672122902399	0.0038503741520040766	0.0	0.0	0.0	0.0033137528269452337	0.00562175636356016	0.0035580099249269983	0.009358507615508882	0.00043786790641711437	0.006383143810364137	0.009799382275775382	0.06886929478787492	0.00016596735688523793	0.0018691074871408188	0.05301405544138202	0.021557885820854716	0.010551197747352432	0.0035946515424741575	0.0	0.0	0.0002879013120326736	0.003799475207752411	0.013389637998621758	0.018502975710282022	0.049291208937742484	0.001546716575900048	0.00840232676635746	0.002061950736320747	0.005305292462141957	0.008073840192876878	0.016193242508194514	0.05610963944852855	0.015079923558772431	0.021999303596390078	0.004017838467059533	0.028197135300077284	0.021905838016184398	0.002828325510090195	0.023970700136928695	0.10619915338810858	0.01590658643292247	0.016253941401224846	0.08761953386347882	0.01478079330056331
+2-Bromoallyl(2,4,6-tribromophenyl) ether	0.0004542750696337824	0.009854465232778054	0.0043941226147382936	0.00030752467049175656	0.0013070752079635413	0.002383450514191099	0.002839084380566927	0.03467286156174073	0.015213025960863784	0.012864600368604404	7.61706789563015e-05	7.590133146837229e-05	0.0066046311340114015	0.0012115628129028204	0.007461106847621159	0.003691217986796778	0.00016402075725396843	0.0	0.0008923903262628334	0.0004389392205135942	0.00014719219056814043	0.001747599022765692	0.009818315704956919	0.0010460770369545625	0.0008042609481143992	0.0	0.0	0.005643758388908923	0.0005494349419196045	0.0003060279592753651	0.005293043714552912	0.0031975997865727438	0.0031021440311803012	0.001252389320896658	0.0	0.05601474486729934	0.0007615272451564717	0.0019865762699996566	0.0015043587982714686	2.1470924657690086e-05	0.0	0.0028429373005707578	0.004930992566678453	0.0	0.00042393904938645296	0.0	0.00404810463068939	0.0032756804945847044	0.013815449660702622	0.0016254488320258285	0.0008990948820588267	0.0	0.003476040739824616	0.011656401357959624	0.0024286799890895798	0.0015375419184129292	0.00492291158186904	0.0	0.008006822722801591	0.005860233618278892	0.0027954641803063594	0.0	0.0037671639939827316	0.005862317112396654	0.0002412730275515559	0.02548336178964785	0.02915905682249721	0.005205117360509582	0.0005048982668594595	0.0020965112713862933	0.0	0.00578875056673882	0.004618737057012988	0.0008635542496896005	0.0038207171287604046	0.00016438383541418514	0.0	0.0026547424646768706	0.0	0.0	0.0	0.0004285736027160595	0.0003681850318780053	0.05402781432982769	0.007329372467966275	0.0006643082188973623	0.007745212831551895	9.85299272842552e-05	0.0	0.0022073480594546296	0.0	0.0	0.005492301802054612	0.00036059453822290363	0.0	0.0023874344371942174	0.0	0.0	0.0026907134154614087	0.017121023594129925	0.0005718952787436378	0.0005524958782952944	0.0001325806482481775	0.0018509314608572654	0.005291475591109759	0.04548863420933892	0.0031907317998658338	0.0	0.005648248037134229	0.005160545738929897	0.006279890834303697	0.0019967106577156303	0.0	0.0	0.0	0.0004007127683410876	0.007287691542556895	0.002068963427837551	0.010971139938925688	0.0	0.0004739081036031008	0.0	0.00026895349330464187	0.002287820731085632	0.007666314877451459	0.008931014891503632	0.01744747965607184	0.02374049873429337	0.006023620086532184	0.0012820217319126027	0.005529710827334115	0.001592616397711312	0.0012050794206452263	0.08021445167857752	0.0009184534143460163	0.0056242393538458845	0.00017738582572202424	0.0039998596017999264
+Pentabromobenzene	0.00012250708624312584	0.02730734582521231	0.009242101329614765	0.0002705804451750184	0.0010302259860582533	0.0	0.0	0.0	0.011433432760205042	0.0061983760567806126	0.0	0.0	0.0007238692688285974	0.000859246988911596	0.00046859382852552754	0.0001532689683591195	0.00022018498404512583	0.0	0.0	0.0004543637502464244	0.0	4.874578864006642e-05	0.0	0.0	0.003120311545925922	0.0	0.003529875185603661	0.0	0.0002167899735345628	0.00020639783490182648	0.0	0.0032856668560004207	0.0012744397186200834	0.0	0.0	0.0011976058033685885	0.00013314455718184396	0.0018355630938306844	0.0	7.1054655298542e-05	0.0	0.0	0.0006078282601236649	0.017796027674627884	0.0	0.0	0.0	0.0	0.00013066327831696097	0.0	0.00020012344108703617	0.0	0.0	0.00045440851976407326	0.002087709045741167	0.0015778183634715171	0.007489108026796343	0.0	0.0025672921443452967	0.0022937933220091907	0.0	0.0007076488018121321	0.000210137963839783	0.0005782060175023136	9.195895804975376e-05	0.021506875593793644	0.006955157505076963	0.006964758579820971	0.0	0.0	0.0	0.0014095348421281468	0.0011322962942726539	0.0003270252811033838	0.0	0.0	0.0005922477035975664	0.0	0.0	0.0	0.0	0.00020980540434243673	0.0	0.0	0.0	0.0	0.008906151829491633	0.0002785185914814474	0.0	0.0	0.0004491820995745865	0.0	0.0016229379573360044	0.0	0.0	0.0	0.0	0.0	0.0	0.016903192198255163	0.0	0.017960110650840615	9.168923826463224e-05	0.0	0.0013011881463516114	0.0043506526463058595	0.0	0.0	0.0	0.0017844262970995238	0.0	0.0	0.0	0.0	0.0	0.0007876456475274127	0.001021525496676258	0.0024826097400140012	0.020797249732924954	0.0	0.00022557284116789822	0.0	0.00020854386361268977	0.005476816912611563	0.0	0.004714917652381778	0.0013731152050274387	0.001156855152816921	0.0006368017978637357	0.001501103830400473	0.0008865328786887289	0.0	0.0033543914528012145	0.0	0.001970363973727344	0.0006148912269455787	0.0	0.00012236269200362277
+Hexabromobenzene	0.00012765736855734324	3.91059736704272e-05	0.0020169820783710957	3.4085865332117596e-05	0.00029764724962606857	0.0	0.0	0.0	0.005680886377521463	0.00467482627372966	0.0	0.0	0.0006782623449269051	0.0019898158543349286	0.00041429532465369864	0.0	0.00011852999420173799	0.0	0.001943847151631793	0.0	0.00011992239325023421	0.0	0.0	0.0	0.002818982614349069	0.0	0.0027948375971128714	0.0	0.0	0.00014391033189218173	0.0	0.0	0.004811141437067542	0.0	0.0	0.0002614744963994907	0.0	0.0018503864442768474	0.0011559327296026582	0.0	3.5782167120801454e-05	0.0	0.00023020953089107922	0.020054313926701258	0.0	0.0	0.0	0.0	0.000127680555432754	0.003243201857912979	0.0	0.0	0.0	0.00011181538456120574	4.704650832817665e-05	0.0006821486862213334	0.002836432852415639	0.0	0.0010640641672371703	0.0012335282764252406	0.0	0.0007974482553557415	0.0001953840011778084	0.00018320123520092647	0.0006803048525645694	0.01613665120807341	0.0	0.0018258989449313843	0.0	0.0	0.0	0.0010261243950414661	0.000835314762980961	0.003557406999372966	6.14219727348246e-06	0.0	0.0	0.0	0.0	0.0	0.0	0.0001466554894418717	0.0	0.0	0.0	0.0	0.009073925931769733	0.0	0.0	0.0008172005489162196	0.0	7.721276355945672e-05	0.0003647648847503224	0.0	0.0	0.0	0.0	0.0	0.0	0.011799344745720987	2.0433265730017006e-05	0.020447099520772654	0.00015708399577382733	0.0	0.009133164648128562	0.005882569638760297	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0005954673417272315	0.006142959189786887	0.0008897860641294659	0.0	0.0003864562941011633	0.0	0.0	0.006171815850858172	0.0	0.0	0.0	0.0010594746308311665	0.0	0.0006503046763334936	0.001399843556594707	0.0	0.003910964394520033	0.0005140212846628613	0.0007539380826250859	0.0019119373294890136	0.0	0.00033109410750597345
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+alpha-Amylcinnamaldehyde	0.15660227187285344	0.04662832157786077	0.04052636126718415	0.00626195437477112	0.023030945577482243	0.005359995041783238	0.0036307391540808588	0.0	0.036326984156391046	0.03801750794438082	0.00041658139287483576	0.04151083302438791	0.00917067211170793	0.14002614256000537	0.0027819473789660164	0.06981544989060047	0.03601704151832557	0.0324771294489909	0.004129508751021923	0.021074794233279688	0.008203461078367138	0.07631769741244004	0.03604289636485229	0.034290890606091015	0.06527575603392355	0.0	0.0018167067305177407	0.029920602446406826	0.11442128903120846	0.0004083784886191011	0.015648872350425867	0.046877821203097275	0.31050385857347607	0.05403139868786275	0.09343134469504706	0.015307503256650869	0.040241155638617666	0.047759394251888104	0.034775838659961644	0.010373470084230068	0.0	0.10238252081696639	0.0002952929941035693	0.007058937658126888	0.02741453269699504	0.0033323874062956044	0.14284724429004345	0.0066575476567455084	0.0015333335784664043	0.018745808359598718	0.0025213013449185695	0.0	0.002987157545592091	0.009376065810074146	0.008883643750451886	0.017619525742562123	0.006494270205455234	0.0	0.08807626132406475	0.009225114638777426	0.030001360892085667	0.016046880250218606	0.04802823342512042	0.04734096148488009	0.004334305458079817	0.007874286158197323	0.010079753516319623	0.0021946165282871436	0.0004599720827543444	0.0	0.0	0.015362919892072165	0.23562079575164743	0.045266603368615	0.006130277788745049	0.0004630015527568983	0.0009740656714408405	0.0	0.0	0.006776748227409807	0.0	0.00865819328323031	0.0	0.0	0.0035847414238847457	0.00043400634720595243	0.007515413579872604	0.0006711529660605392	0.029795498783483376	0.005454225258805186	0.0030740194250114357	0.006723528914406257	0.015013000259490364	0.03481584031635921	0.0	0.0	0.0	0.003908274810010707	0.013054137035106904	0.07047075238724333	0.002127437265437164	0.023959799068168967	0.02955551025827172	0.12682408469556666	0.0018059796264611719	0.0	0.0021061640818198024	0.0	0.12653421889430203	0.20094356440700648	0.017382919562351593	0.0	0.0009298960119198604	0.0	0.0004109945541100661	0.0048544450643584385	0.4714763844754729	0.025315690780913117	0.27066541179023934	0.0016446856843476492	0.0007147424486264832	0.010771715529942362	0.007033328013420571	0.010364976247145451	0.0047270490652238225	0.25660890047292906	0.025339791994853568	0.04033076597258591	0.25598049282435104	0.02227971916631027	0.0	0.0	0.0010145582008124912	0.002804748767690232	0.002664023850294344	0.0	0.0002340061290353807	0.010607925008625603
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+4,4'-Dichlorodiphenyldichloroethylene	0.00025154348176999425	0.0002504298721287197	0.004379197406372819	0.04214140091751502	0.0035632933270040787	0.008154082925918484	0.05122258671524731	0.018837819086402738	0.0010525952243306501	0.003944126980962236	0.00387086624798677	0.0	0.0036236914831509234	0.0022989701686397415	0.008538694344860449	0.0	0.00021861323355207562	0.0	0.006032022239189197	0.002254579661935935	0.0003516826641710904	0.0025581687048781194	0.02338324943440137	0.009461058178790437	0.006211171104955227	0.0	0.0020861270157231234	0.0	2.5778888777113324e-05	0.0039071469027297055	1.7589835487895763e-05	0.01989754623519468	0.00754146294877703	0.13185538598796176	0.0023173914153013756	0.014405232905124766	0.0	0.002320502706279876	0.003676475841132894	0.0006182823621133235	0.0031322850551157343	0.0033871917736175102	0.0003947571381834548	0.01988335493986892	0.0014300182789264467	0.00026169087515212717	0.0	0.009572465435837896	0.00563870062351228	0.004144809837200732	0.0034788357765988868	0.0	0.0025813656141147807	0.0054194024476945995	0.0013707255978418363	0.002462655664823937	0.004863839091001424	0.017622617815639317	0.00563684448821941	0.003633831070246858	0.005679656969049062	0.001572346809018784	0.026092923902705976	0.07291631312133805	0.00018846362960863643	0.01866638018209469	0.020150935190735787	0.00977731784421667	0.00010540780092521313	0.0	0.0	0.004968885442115803	0.0106787769276562	0.0012718044696642874	0.00014129239837343626	0.0003913371829080792	0.0	0.0049984077214532616	0.0	0.0	0.0	0.00023368175965357812	0.0	0.012314731341367959	0.02038787182478116	0.0009519636816664654	0.009543316746518989	0.002741069532172149	0.00419882734505458	0.005114861653374385	0.003591423034212171	0.0	0.0105148666249428	0.0007010279224330153	0.0023747012632344498	0.022534098810492068	0.0	0.0	0.005169954401285393	0.01206728682434015	0.0008483422446863185	0.023899614274829784	0.05547899675256514	0.0014396256322541951	0.0042603295957079216	0.010821360226085935	0.0	0.0035467001715860594	0.005846990637162292	0.015854779649115285	0.008815765200332568	0.0	0.0	0.0	0.0	0.00012591026517455608	0.008426192482668533	0.004450463345297634	0.03107574989798195	0.00847466394085448	0.0	0.0026421716195518833	0.0014640159769005365	0.008190793191175634	0.007325439748803522	0.010411189122145295	0.03693892472061368	0.004899232925897468	0.0020218663691203183	0.006628542057566633	0.005020642907392895	0.024057926722363333	0.009349343267917724	0.05896632661958915	0.003637485512991177	0.014104602888371587	0.006955220573283822	0.019937198504140698
+Methoxychlor	0.0	0.0	0.01579822365795019	0.0008925690190253738	0.0002261681393637061	0.0	0.0021967926834211616	0.0063812609500422815	0.00017092037308528185	0.0030652276603486796	0.1513205951176204	0.00012501987783100624	0.00035975911475563937	0.0032139387834553496	0.01074353067064539	0.0	0.00014494341298393643	1.9795507159522175e-05	0.004174043009952021	0.005930214767998925	0.00019283371015298294	0.00015745771579751944	0.08048946523075229	0.11921306274623676	0.024484888531600676	0.0	0.001442876717537412	0.0	0.009379722520563044	2.0521618929519333e-05	0.0022813541116705146	0.00586521864422651	0.017929779803048395	0.0616255301100148	0.02237839400062863	0.06496581169651575	0.0043500237081708784	0.0049093483355934255	0.0008014959740400067	0.00030528056737118037	0.005756086935826053	0.02232732240440196	0.00031730995107083645	0.01573950376387788	0.012421387775907147	0.9383142187330835	0.007551040889563533	0.04687224911046072	0.023208220023861595	0.023403442573651387	0.002551721938543	0.00928573718723671	0.0038967057526485766	0.02363354111421742	0.003374703416049468	0.0065903443416498635	0.00815534064123932	0.013160564214829565	0.009397097828448327	0.0038900894049663033	0.014668179150279908	0.0011439646750137826	0.009724669800229215	0.009086929075604792	0.0003278946157481717	0.007512052305568066	0.0006114377910006596	0.0	0.0026117192685925126	0.014630501018163922	0.008543285444209485	0.16535260528868856	0.01970699121149977	0.055205967243665596	0.0009535832534850402	0.0008561498647654295	0.00044573691084883734	0.0007098660439656389	0.0036409379979000385	0.03254617821243568	0.003752783111798563	0.0019260816590045322	0.007675877979012941	0.006472020152301439	0.0055706665622975065	0.022329916642156344	0.0068760581655981	0.034614305911175	0.013487967087682093	0.04489095575435996	0.2413330269249315	0.0009203699412565217	0.017235601510074038	0.003859233371491666	0.012702525374854076	0.004173079367998476	0.00433113586617753	0.0	0.013927515563451395	0.017389953459743507	0.021981219124636905	0.020325584644616278	0.00019534004870673798	0.00019945854470522235	0.008426213581392379	0.32817167247867357	0.00012898904372220192	0.0020551745919826017	0.029939117838689272	0.024674518329408635	0.0013617912726290064	0.015091385366452345	0.0	0.0	0.0	0.11132902191417592	0.03954211864837432	0.010127986242735447	0.003373460364537905	0.013273525077105478	0.0007877451545701771	0.016806298204539074	0.001834985739991087	0.015543614530639625	0.031237114376530224	0.011545161695698912	0.0020847424906009163	0.0009144834995467467	0.013704755513971944	0.19634350908524473	0.025247459956621324	0.01248221846459253	0.007351402446487972	0.14028457363270802	0.004790178954900606	0.0019525885631154418	0.015118582250697309	0.010500700143308471
+4,4'-Dichlorodiphenyldichloroethane	4.1826333144722904e-05	0.0006014266311553321	0.009448588794929618	0.04009336801337407	0.018476994714575434	0.02941955522004134	0.007061224310261676	0.0013086242309643574	0.018260151725569152	0.007747430776802563	0.0011448948415648098	0.0	0.002395412588701363	0.006273758008297735	0.004065409035547736	0.0	0.00028968919305515344	1.4153530731100444e-05	0.0032554781135228665	0.0009991092794574984	0.00037582931491917	0.00767412310114495	0.08875725800520304	0.0033850577445406252	0.005172252266511885	0.0	0.010296584561771105	0.0025302155655014496	0.004783797330318601	0.004150769329316704	0.00651958085134032	0.008705395432234838	0.00035926162942653974	0.09188414939977944	0.0	0.031053362227601074	0.034749790325590175	0.0033873313318250704	0.010680958141165693	0.0019684788786838666	0.00752756638221956	0.008076452981128074	0.007351745741680247	0.025401840756113	0.005678483034378451	0.001092349280837441	0.02127919018101524	0.03608710263345334	0.0033806922075789404	0.007488789302240327	0.0005047285337605793	0.007081714898986769	0.005646311736451554	0.006158088294913724	0.00028635744998830535	0.010052415315430697	0.02239210071935939	0.020321316582256294	0.012050203273269425	0.007713287796079994	0.003922280259623894	0.0028547269175893336	0.014072782715926787	0.015968816345800097	0.0018360528436265776	0.020749463638522012	0.02708590621439035	0.004658076438175157	0.005417170872894498	0.0	0.06404348785708143	0.0035549681251102333	0.017188602226501055	0.037983775628085886	0.0010307573442362129	0.00758933916575817	0.0	0.0012036266242135111	0.0020027288907232574	0.004215805831511687	0.0004650991744677057	0.030269555064097647	0.004912494828915111	0.0	0.0015609588385181508	0.004919853611659499	0.01056593105769215	0.08078793090463854	0.002520354263546789	0.1353708328671055	0.06171756053863711	0.00021400703494018028	0.003716116388924273	0.006729725001802934	0.000597337061369721	0.015742947992427297	0.0	0.0	0.0009374246920657454	0.06548772955913963	0.003214353850152254	0.03166541232726503	0.015368408916275944	0.0003493665356643505	0.010191410993506579	0.00906213226110871	0.0	0.003886112236805767	0.004199978951696513	0.017772333300153223	0.0	0.0	0.0	0.0	0.0	0.01631394071895763	0.022583519762633175	0.005658094557159965	0.009951031820468904	0.0	0.0008014287809522009	0.0037234137995086156	0.00019615930687707286	0.06217967349232017	0.08820802617635486	0.050784066690850095	0.012076857219904393	0.020638082688166862	0.0048794197599207455	0.001014882068389613	0.06322454633662762	0.06375639812884011	0.011207315323729958	0.013889782292171105	0.00794577016210171	0.028385750856365015	0.024988382745090087	0.05809561206973345
+4,4'-Dichlorodiphenyltrichloroethane	0.00019709624152834877	0.0005044709923863989	0.008987313718483063	0.03704803839460871	0.0035674753218889375	0.02835260184593214	0.015126070126494012	0.005002317285979696	0.00697652660219253	0.0040079444520277	0.001488067988781002	3.314678042541989e-05	0.0040566104117857335	0.0037651983946824954	0.00536818222418499	0.0	0.00022276229396333926	1.5270375345774235e-05	0.0036054787771033735	0.0009822367080458965	0.0003520417474392138	0.006321902748289753	0.0871582169856598	0.0037347594319203856	0.002970046099498303	0.0	0.008890694746722943	0.004954224140521355	0.003983557535451368	0.0044505253022178405	0.0062801983174842054	0.006509324248937722	0.00036574553235506883	0.10849172058416036	0.0	0.03405444285318679	0.037430494948019845	0.00249492943327805	0.010612968028737152	0.0017892638574491973	0.008348635804641348	0.007806931747949015	0.0069830335664895936	0.017928524791910726	0.0012968780073238126	0.0	0.019257759954913932	0.03657479918709624	0.004870608569205977	0.0015380308181434084	0.0005138378027448186	0.0071287766241652185	0.005010280024473585	0.006385773465342205	0.0005570201364834405	0.010045029691787116	0.004142335372506458	0.01881092593514759	0.01018832223464561	0.009443241719115094	0.003153484879991565	0.002500790927982737	0.01706263846753634	0.02350752968286795	0.0018216154508824633	0.014600260544764003	0.027278844228139504	0.0038486136029814337	0.005627584093331967	0.0	0.062193673738532025	0.004336512661311932	0.013677071450156604	0.03635364895849853	0.0010062278398371145	0.0074424364387812	0.0	0.0013893640871072584	0.0	0.003960206692536063	0.0	0.02977919355106648	0.00480723393211766	0.004420955249220646	0.005075126057762857	0.005242533062548793	0.007020848438937274	0.08053155126495089	0.0010361982191165746	0.1302494189616851	0.05993492785158593	0.00023089417137392177	0.0043666328396808835	0.006660040321158552	0.0006796509888248447	0.01988867761416969	0.0	0.0	0.0025028980667035944	0.058364043017612104	0.002504444649792854	0.022164636600697476	0.02346027608196017	0.0	0.006350905534539137	0.011658327102422471	0.0	0.0032380104619907043	0.004153766098649769	0.02249264437326135	0.0	0.0	0.0	0.0	0.0	0.01878750140138667	0.016273536178206694	0.00368265106516845	0.013958795687856825	0.001605497895593173	0.0009309965184315258	0.0018913142912115504	0.0	0.059681659887254684	0.0885811104005797	0.05122374609362804	0.02006481608062146	0.018243790645233397	0.004579562649534229	0.002553426583677227	0.06102732623269415	0.06444360230912818	0.013026658073738564	0.028125725374739306	0.006011347563928869	0.028824866048072155	0.023997743485593998	0.05643949104505464
+Tris(4-tert-butylphenyl) phosphate	0.014536486302705601	9.073514052651311e-06	0.0	2.7753527191399998e-05	0.0017467830241668775	0.00044037440775690793	0.0	0.003238516724224651	0.011923841256816099	0.008936623212767066	0.0	0.0008368292193333449	0.00038164937886079735	0.012993809878201586	0.0006153601586146163	0.0	0.0049686514865228066	0.0	0.0001726353618241832	0.0005992066871346647	0.020242167485066596	0.013877474959837368	0.012053747740380729	7.966950851787337e-05	0.0012337017683765848	0.0	0.0003289572804890777	0.0	0.00015476789355558588	0.09332140085733574	0.00016840461715812027	0.0	0.028049788970842534	0.0066735129955691475	0.006107806855249304	0.002506924940758036	0.0016346390687986395	0.0009527756218303035	0.0024712980914937685	0.0129018388508092	0.0014328223059790995	0.00966930083619894	8.987906812649956e-05	0.0	0.01939884226174526	0.0	0.006497083048486965	0.0	0.0007875264196573792	0.000825032964118445	0.0	0.0	0.0006753886488398168	0.006640423098982943	0.0014316378617316697	0.004041499963380786	0.025419223884171265	0.0	0.01063271516459856	0.0	0.003975949599868303	0.00019910657773041524	0.00045198197958522745	0.016556059852458022	0.013715660283923176	0.002091128446105339	0.0	0.0	6.056805875795342e-05	0.0026199296819659655	0.0	0.0	0.002179153399806747	0.00630910315191092	0.004888243972727649	0.030119865865265667	0.0033464202129407272	0.1494522678240121	0.00338027950619251	0.01139639140716739	0.014186049109505522	0.00020815630667498573	0.013232141766349003	0.0	0.0006743977547154162	0.00885522443277007	0.010934271818433114	0.00020625245161875937	0.010778040338776535	0.00512843286828364	0.00334277732937151	0.0002264956978318673	0.002804607052061419	0.0	0.012560217199212662	0.0	0.002391154663398969	0.0	0.009025230544888678	0.0	0.018801947882780796	0.003681684135134263	7.976770884779651e-05	0.007344210274986782	0.01061593120408058	0.0009888315363278388	0.0008120743297941658	0.0	0.0	0.019585698630478897	0.0	0.0	0.0	0.0	0.0	0.0	0.015031239298376228	0.0	0.017076853284418707	0.003528459369438585	0.00026394375578114653	0.0	0.0036601296334147497	0.0	0.0031850865299784107	0.02321896903423496	0.0013761284368678701	0.004246181979529406	0.0348232392144526	0.0033883454817992685	0.013363207048978872	0.007057501450656957	0.004565152021864599	0.000650817431743847	0.0007052330798145388	0.0024207599559799573	0.0014763770173925614	0.0027957080372811344
+Tri-n-butyl-phosphate	9.822774881912408e-05	1.3446581826523614e-05	0.029984587038334093	0.00014883893163027226	4.8599389316944995e-05	0.0	0.00015257436438713287	0.006322474522932464	0.00017020213761574312	0.0	0.0	0.0	0.033117859514492	0.0005330664252316811	0.0002206525511156707	0.0008435109769060633	0.0	0.0	0.0	0.002500576698233253	0.0	0.004245973289510954	0.0	0.003327568950988703	0.0	0.0	0.0	0.0	0.0020341332687160026	0.0	0.0	0.0	0.019334372204736116	0.0	0.00138524288357728	0.021991000835516625	0.0002886748562512059	5.481093631762353e-05	0.0	3.464687226656694e-05	0.0027972628511316565	0.0017381953615055862	0.0	0.0	0.06855674199566905	0.0005881739794552607	0.0006161830839592195	0.0003587175442925508	0.0004608436095925194	0.0016106910479108823	0.027162960179339602	0.0	0.0	0.00841790976208471	0.00034852147630081484	0.0010441288140424637	0.0	0.0	0.0002926864703701844	0.00330715654307792	0.006108359824496007	0.000544065509589154	0.007400484164155603	0.0	0.0	0.007847496110695733	0.9473561670855232	0.07699890937268727	0.0	0.0	0.0	0.1928273511833707	0.01271998624973786	0.003268965257779718	0.00014163860551746473	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0016005429171616118	0.0	0.0021325232604194983	0.004555127811072973	0.0	0.038084056085980325	0.00016060634101713436	0.015239989382770427	0.0	0.04736050681994158	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.01615636371119691	0.00048191515703541334	1.3439833235977738e-05	0.026514349557030657	0.0	0.0018669791722375159	0.0	0.0	0.07209224019175547	0.0	0.0	0.0	0.0	0.0005303893412598155	0.0	0.0020144779291406643	0.010518999668761846	0.0051442807861637975	0.0	0.0005152907375560757	0.0	0.0	0.007276199286449584	0.0008283303482120918	0.0	0.0	0.0	0.03778323162880717	0.0009811971627808672	0.0	0.0	0.005328963205872238	0.0	0.0	0.0	0.002474219833261345	0.0007247650775320457
+Tris(1,3-dichloro-2-propyl)phosphate	0.00023316342839161213	0.01492560186275525	0.06757512868985399	0.24043809555657505	0.005106125234336954	0.0022720746131228028	0.0	0.03471346666399421	0.10830431436389862	0.0	0.0	6.861763400205104e-05	0.026673964167086884	2.4245639745324582e-05	0.026394568518993532	0.002002243903843642	6.647432448824013e-05	0.0	0.0	0.00774992303109224	0.0	0.005969260267400151	0.001061788327778737	0.0008307181121658355	0.0	0.013715799083714243	0.0	0.0	6.353240272551375e-05	2.859079668143571e-05	0.0	0.0031213101234981427	0.012715711976973782	0.0	0.006143461298714141	0.07679044069276136	0.0	3.226155845641883e-05	0.0	5.954754731682137e-05	0.0	0.002577144050330175	0.0018449349252347986	0.0	0.04461527729189278	0.0	0.007438309653833052	0.0011079753913337302	0.018426475850499283	0.10211407994681362	0.017677079820193856	0.0	8.629580707759494e-05	0.015499277416307638	0.0001698555772098095	0.00787401898441984	0.0	0.12692076229092625	0.005025383737008178	0.0	0.01449942745966491	0.0	0.0009063673509346326	0.011700613627286138	1.5860533424647305e-05	0.016205901277176936	0.614355188534834	0.050109261216829494	0.0	0.0	0.0	0.12450545412522224	0.010824632699121279	0.005251744137599254	0.00019166869306709081	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.05529717100984173	5.985265505769045e-05	0.0	0.0015852533346804205	0.00011319888520579234	0.0	0.0	0.0	0.0	0.03509484998007989	0.024593946480275068	0.0	0.0	0.0	0.0	0.002922595739597816	0.0	0.0	0.0	8.36823427939473e-05	4.151178197447796e-05	0.037376937982761045	0.04604734090070591	0.005766562053861443	0.0	0.0034706740015040217	0.04420506165386406	0.0	0.05066889780888367	0.0	0.0	0.0	0.01489343098261853	0.006835652953476144	0.0007469145089101713	0.012245651017334717	0.0	0.0	0.0	0.0	0.0	0.0064970684368501255	0.026874627611761043	0.011031545345847467	0.0	0.2038617536082715	0.011837139592216075	0.049528241593612785	0.0017268952286615552	0.05358526253199593	0.10812178059444472	0.03145882190707328	0.049925461291633014	0.0031748651396803396	0.005450795844032361
+Tri-o-cresyl phosphate	0.000547242460695603	0.03962748971717884	0.026834473317791728	0.0020548026377175386	0.0026382196612351264	0.00045580800389040485	0.0012961258092774601	0.022577947690693025	0.07247821090792167	0.00041994301663600707	0.0009858505240007826	0.0	0.11340796039772373	0.013223775720499516	0.0019648694592835025	0.0	0.0006882376345779761	0.0	0.012009322423554325	0.00444942829433713	0.005427039855514967	0.00032335946907107046	0.23557312257340407	0.004005935641177375	0.013642540179954053	0.0	0.023570473689263672	0.08073383451174929	0.0056166108575883104	0.0016598235938314223	0.013480192579077408	0.015974994965397744	0.012673848135194447	0.06494894146376988	0.0018063266961949845	0.00744964735400529	0.002306914113480021	0.0003026168644855412	0.0062820034984896736	0.007192385717008245	0.0006581018781720172	0.0012130390118317226	0.11553171295220938	0.0002765748053508168	0.25625711240694066	2.2597079540701798e-05	0.010845899481770149	0.0014429897413005296	0.0010066468905703151	0.0027078480858357037	0.0	0.0060048943720614764	0.011592248003257513	0.007451713611932053	0.010872071455288242	0.03005654461848904	0.00013559186835945065	0.0	0.1835390760223497	0.0	0.04266796922163767	0.003609047841079738	0.008010651228061848	0.052985828379353166	0.003899948414113906	0.015179865670314244	0.0041702834635719555	0.004646612096596149	0.03788715956237339	0.004689438743997284	0.0	0.011995007201471222	0.03096627318244727	0.03777291900031684	0.004097822997955273	0.01943544467973751	0.011401597421514078	0.004388974249530888	0.07610221650073862	0.04161061658003813	0.002560805878929006	0.00043464078402377106	0.0017333895267372802	0.0035024139587857394	0.005274434918056699	0.060513383695001595	0.006121959482106523	0.003631697152964628	0.015176959675243908	0.040181931972955796	0.005054882081783597	0.0002028192051037353	0.012026157383363488	0.0007779919873718541	0.0035543971884228805	0.003403228917614357	0.04035207700493839	0.0	0.04783114007965045	0.0003533149287914063	0.0021640749200830286	0.0025130630000039294	0.0009466156995160876	0.0006805938059336617	0.04766559993558302	0.0	0.000999882674681675	0.0007352591749517375	0.005027239827815502	0.012763175317534268	0.06281018051661792	0.011108932116431635	0.0	0.0	0.0	0.012173258654018831	0.08608935534523543	0.005279434347766923	0.0285690677623505	0.043219128818678475	0.005083840205047712	0.0021657797362450728	0.014555501436142555	0.048946872808179255	0.026621975587347774	0.11469641619060841	0.009352745601460124	0.03926208412816015	0.14803993529607126	0.007870624810937659	0.05024489717878131	0.11859068201409909	0.002075714429253647	0.0007816757750204802	0.004617379420831754	0.07560458772124665	0.0002544201610922532	0.14501360871736488
+Tri-m-cresyl phosphate	0.00016585967736003275	0.025484665512992975	0.014744098244992745	0.00023945734259243453	0.0009385639175576941	0.0	0.0005169725171192808	0.0431373706138745	0.04555429683093786	0.0	0.0006083665584877706	0.0	0.00023068833902894996	0.003918992055287844	0.0005842821663759253	0.0001374301035664637	2.4645017312809066e-05	0.00012932739957235235	0.0013197645954112895	0.0017058785926760177	8.479005822172562e-05	4.4514461638912373e-05	0.07016763295560505	0.0017948870940331539	0.08545263040491866	0.0	0.0241451140321525	0.0	0.08760125317298317	0.0004312153169894032	0.004840746542357392	0.0026169679272552127	0.005085133392528421	0.0900156722582302	0.008426585801118651	0.0022731980206239875	0.0	0.0015731550229384835	0.0008974874181207476	0.0038287037177081036	0.0051725214092783285	0.0012491729510145202	0.0007584621667909112	0.000911407424560484	0.08421350812600145	0.0007474040378880483	0.019231958978580002	0.0007860117606158627	0.0016484550353233541	0.0018552353244615006	0.0	0.0021153801310271458	0.001400743345440542	0.012380905275238125	0.009462163973893241	0.012266997554985122	0.001137503407173531	0.0	0.03249833470061779	0.000851677349907219	0.031709338120666924	0.00681684938888241	0.01137462281075406	0.01025374149901113	0.0016594038559095221	0.03456273236149689	0.001676316926956947	0.0	0.020116725078851587	0.0034430044287553467	0.0005085204111645703	0.0011798795041293223	0.01895403793563501	0.04484142969434087	0.011707155023440746	0.14153718146942787	0.0035572106059896134	0.0	0.016945983529592586	0.026452554702362907	0.043835570511244884	0.00016341507269343936	0.002520749696195034	0.0	0.0013240617946495361	0.03176948069949394	0.0125487739519738	0.017179261910618474	0.04161962788814152	0.019970079444718392	0.008240100520511153	0.0004077249408963314	0.06455276417106706	0.0	0.0	0.0016516049962972278	0.004959209765264513	0.0	0.08471486006896979	0.0	0.011826419987706992	0.00964561654966498	0.0007321230619724639	0.00035787604625370337	0.005011174867254956	0.0023032028150583046	0.003294951223913361	0.0026466594557500904	0.0	0.009570888244614342	0.007806115272385509	0.012940855781490302	0.0	0.0	0.0	0.01489697882484278	0.04734351890054521	0.0043498274771169325	0.010345113083999715	0.10385007834315495	0.005595857885977362	0.011479931268026718	0.0062975873464859245	0.020301781926660246	0.01301954713270467	0.03996896932169903	0.0008639729867904216	0.007327546503861188	0.0827531814139413	0.00543187286571434	0.020288851394201585	0.05591427029512104	0.0005602080172043191	0.0006227866255839671	0.0037209231388478084	0.016182165294760076	0.0	0.04832372920785847
+Tri-p-cresyl-phosphate	0.0001626372690873616	0.055986009789732255	0.01246345021292434	0.0005341387841316485	0.0006964969602731167	0.0	0.0002758407726302972	0.04016131753654848	0.07654390427364792	0.0	0.0006939175163832095	0.0	0.000425793046102157	0.0031068181512889288	0.0004943418018042448	0.00014617567743223242	3.169369678319229e-05	9.425719285677476e-05	0.0011661926162950525	0.001384814600925229	9.690000279986167e-05	2.8819574231762343e-05	0.06721914845193058	0.0018295604756922447	0.07082324176962969	0.0	0.018408224961219497	0.0	0.07459189446006956	0.00041044033188856045	0.0034677187838065924	0.003798605504645278	0.00547747986938978	0.07613238134408937	0.009790659732322734	0.002193404591085152	0.0	0.0014676757207948371	0.0005736940182703465	0.003099234237730526	0.005466826606482312	0.0012347602127244111	0.0006273201433163108	0.0007260784328798611	0.06807902434612721	0.0006027768292100271	0.011280948105726087	0.0010574151971584238	0.001449922205303938	0.0008403590555555772	0.0	0.0015652527482779978	0.0018013675664327114	0.013657592198317426	0.01065104917151552	0.019374957655029085	0.0003670722261416636	0.0	0.029930406912202993	0.0006237339357712802	0.04105439293469689	0.009046421492505412	0.008646393097047718	0.009663729421747152	0.0013625563986697888	0.03339089691648772	0.0012169987951138248	0.0	0.002364438081934861	0.001837082185895544	0.005998732479449608	0.001131377527208542	0.016651062066082307	0.03810025571421689	0.01230612448692714	0.1495493784368958	0.010127842734478037	0.0	0.010429043364443712	0.02305986476981819	0.0465891787341101	0.0002607676439244757	0.002411515489286794	0.0	0.0015268630913950786	0.03303971959240846	0.014202927611906183	0.026384657137167568	0.04316134888800059	0.013598547600621708	0.01647582597580805	0.00024993307928175323	0.05548331667727157	0.0	0.0	0.0	0.006377584912583883	0.0	0.08350054829540185	0.0	0.011076537980548525	0.011137840430966623	0.0006053899561579561	0.00039805065993222453	0.006444412464980723	0.002143784801524476	0.002624943528662056	0.00527577863790335	0.0007380765748081032	0.0070991227522732535	0.007684323992960069	0.010915998227646268	0.0	0.0	0.0	0.013751250689963926	0.04213947846832117	0.005003244754765609	0.018346057840048443	0.08887943892811699	0.005188545392889763	0.008522523772441122	0.009816049448021627	0.01172812060990075	0.003969874314647107	0.036602818344466964	0.0	0.009933188762793725	0.06900700803125956	0.006093702889701982	0.011689621183949776	0.043592644694277746	0.00042850120620999376	0.0003454086702252085	0.0033446744526308544	0.009701218989007736	0.0003119781344538255	0.031747733415673454
+Isodecyl diphenyl phosphate	0.00022326858414522684	4.574684598929528e-05	0.0	0.0033401607377540957	1.3307352552353278e-05	0.0	0.003702968155867928	0.0	0.02701327352395327	0.0	0.0	0.0	0.0013838865420761487	0.0007917812624282502	0.0002248817437909628	0.0	0.0013045144911236972	0.0	0.020850228062587628	0.004141392970821693	3.47266997468489e-06	0.0004221573446993338	0.0	0.00413015325850735	0.01580084868316319	0.0	0.0006757253098584965	0.0015858271769581263	0.00017572076005642853	0.038442073066640554	0.0003167836053729111	0.002920563283689368	0.00030175629947065187	0.0	0.010460598605892714	0.0006245412961826594	0.0034922350787016452	0.0003855386130648047	0.07039728255088344	7.638565884886939e-05	0.0	0.0036226235652896894	9.82687000156463e-05	0.0016521711845419779	0.0	0.0	0.0046697503987653275	0.005785421668122553	0.0	0.002667319821990998	0.0	0.0	0.002462216931994353	0.0007435724436915846	0.0002418399191393716	0.0008542059018116756	0.00020254956402432342	0.000865997347371316	0.0009964674327973184	0.0	0.0	0.0	0.0010394344889277287	0.036337563432486356	6.555877556358275e-05	0.012423288114275446	6.473544485628084e-05	0.10157135924648047	0.0	0.005830942972139684	0.0	0.0	0.005566763286245421	0.006354826842464897	0.0002224832976735395	0.0	0.0	0.028072017488687998	0.0037470747945772924	0.011318223549983974	0.0	0.0004820400415746921	0.0021553315931138075	0.0	0.00036405327793950196	0.01485683807377227	0.0	0.002271580543119759	0.22243391405087964	0.06457859824152024	0.004799055276183031	0.0002571592547922898	0.008819972477778756	0.0	0.012376426791916017	0.007450633550966771	0.0	0.0	0.0	0.0	0.00150358244169903	0.0	0.0014922092726739103	0.00042467122471057404	0.0	0.0	0.0	0.0	0.0	0.015384727757781647	0.0	0.0	0.0	0.0	0.0	0.0	0.005415164463267281	0.0025465186466684777	0.009644895280538758	0.020324527309734497	0.023259777872950364	0.0	0.12155906145686099	0.0008170281424920025	0.002044923277912722	0.0038473082303622243	0.0	0.0	0.0	0.0016678736542889263	0.004879859027131139	0.001669831937814165	0.0	0.0	0.005074818977879134	0.08437661243957124	0.0	0.16282138220137893
+Tris(isopropylphenyl)phosphate	0.0646444002451008	0.022103021758349	0.02127839686053914	0.002739352770286563	0.023195001058675686	0.00542966287335602	0.001024914622500997	0.0005182957639655168	0.06434184597114471	0.09364506397459083	6.0016585839124854e-05	0.0	0.007982470262923832	0.040082708729745446	0.0036694462996485796	0.0	7.295705114486797e-06	0.0006469380218756711	0.0071328245718733614	0.0026801651501764594	0.003408412183184709	0.1251821636134145	0.0399826546073258	0.00013262816356022198	0.003188627301526233	0.0	0.0	0.11610556507227274	0.004486426677196751	0.0010085074471786705	0.0007383553176119699	0.020077489970465573	0.07313463793100598	0.03713909946379284	0.12324223135551302	0.00124887064887183	0.02987952886232926	0.0037152067555518736	0.016335620837879417	0.007887468513891913	0.0	0.04306139144573013	0.005950300584390411	0.0	0.01680056365270783	0.043692704305080536	0.1889160053417051	0.0030683869122383376	0.0010724078366196122	0.0065686742591176996	0.0	0.009879706945251003	0.0002975669232469693	0.015095711218349168	0.0024327508569442773	0.01715312166538029	0.0	0.0	0.13891787230028677	0.0019438499516322301	0.001866604111830825	0.00667319010276265	0.00571014932802065	0.07238121152159517	0.0064804196408761	0.0005144489377372951	8.005229054626174e-05	0.06897136603006117	0.044508982485960955	0.006636114697126499	0.0	0.00241650101901162	0.02135010942325097	0.010653547854197459	0.014093466901648437	0.01984218992803043	0.002710968543778061	0.0	0.003509685304837947	0.035475504832253875	0.005223127317328191	0.02109395201347162	0.00048590769926449895	0.00018690846653634163	0.00021849204192346723	0.012254493204350592	0.010036825306810304	0.006656107586078243	0.10513202262240791	0.03610454239730656	0.0019421836998383228	0.006840529591385558	0.0034769430105283518	0.004095630867569018	0.0	0.004002985889273599	0.00933263415473355	0.0	0.004936678302041412	0.000366811787193385	0.0009817799010030791	0.011511140016265495	0.008057348834509493	0.028203514753585776	0.011668218856801518	0.08798349239409342	0.00027278866522772424	0.0	0.004073781799735376	0.32454623550202855	0.010615988466534686	0.0	0.004177407855801894	0.0	0.0	0.0031064882904835492	0.08347878046581514	0.028123365518933695	0.14743927602291806	0.0020656773397758174	0.00014654492629104652	0.0	0.05662266545071021	0.0010970448626121906	0.007117937814081493	0.358952499478774	0.059376673537142335	0.02570580147592948	0.19752668869702036	0.017592156371044845	0.013115560882242158	0.007844148362499694	0.005828802648339596	0.0028613232780386245	0.008059974670999868	0.04006790753044144	0.0015358805159073842	0.07410677575311785
+Tris(3,5-xylenyl)phosphate	0.0007952747508289358	0.06381304952504417	0.024160914559333717	0.0007616975934818148	0.005226104127148584	0.005890368616143152	0.009321932870253723	0.008616116491297399	0.08705600736724037	0.07346112673330675	0.0003411360352981496	0.0	0.0017229338417872073	0.0012969452283651953	0.006839606989875437	0.0	0.0	0.0	0.0017720080164016615	0.00033633614797130476	0.0016902807900157446	0.0011141042244906783	0.016570833493200824	0.0	0.0022060831463631123	0.0	0.0	0.017842638098301753	0.0	0.0001053015762004642	0.00042291218640454556	0.0005130072389839418	0.0001351186693797906	0.014602787748214389	0.0	0.0024862858242338287	0.0	6.2834388818232e-05	0.006476701006213113	0.06949834120604584	0.011140582359232562	0.0005245506295641318	2.55889290329994e-05	0.004870160786207656	0.033547276380373935	0.004902231150527774	0.011663694259780212	0.0	0.0035664268318917323	0.04279200941607261	0.001040184155387595	0.0	0.003377999700239434	0.019117464982232674	0.003963173482951305	0.009592687152629474	0.005016432751914085	0.0015621583382047475	0.03787952255768409	0.006238021302890191	0.021545488357557548	0.00014268794138675955	0.000732102529447574	0.05016615290446049	0.0011680875804974517	0.012034917514708376	0.0011468712294660992	0.019652375234739648	0.003998188210979622	0.03425565384999254	0.0	0.011985990867479375	0.010255846737306454	0.04555723087816956	0.04633863860715704	0.026014780652495934	0.00389830660656033	0.003591321066218442	0.009594174731306108	0.035947038074397517	0.0	0.000556237650007942	0.008883285607094447	0.0008844419602869715	0.020609630211161134	0.018492293546051655	0.024475504718368554	0.003266518559200359	0.05801895414320473	0.026626551877389583	0.0019481496324472137	0.0	0.01178274509060636	0.00790788208106959	0.010033514982184655	0.00266811364566644	0.025745504273304094	0.0	0.007638893919720541	0.0	0.009307898451568177	0.0012587116675433802	0.0015259461874053968	0.00022886345717523454	0.0	0.0	0.0	0.0	0.008260438744283487	0.03851623602426439	0.006710708158623282	0.008942416776952206	0.050825760928330244	0.0	0.0	0.016021347641501923	0.04848907124414965	0.06243734709566384	0.03022863820993528	0.002289357501157772	0.003214180831521177	0.007886482074973278	0.01781663663254288	0.0016197705868830393	0.010631404777365334	0.07584395551307795	0.014592441528119084	0.03720810446507407	0.08987750796656972	0.03432347577005885	0.03040047550180518	0.0031993046977479337	0.11938280411689237	0.04069145075577166	0.016499701286099264	0.08119591876466384	0.012055968086362777	0.019226113707391006
+Tris(2-butoxyethyl) phosphate	0.0008336484615528437	2.3285616586465955e-05	0.1345887033648341	0.004123265879338843	0.000678461043286733	0.0070654626105318445	0.00093165561875388	0.0010790255559038197	0.007781069701109292	0.015690317730717242	6.042184423944161e-05	4.7112154190126154e-05	0.019072585564597958	0.003834056074175663	0.1376006506189309	0.019438494715119332	0.0007842098334054922	0.003998705741614534	0.002926762516765143	0.008679892226056345	0.00013192765045133304	0.0320134192711098	0.006820575170453647	0.03985117910189791	0.012957681708633569	0.0	0.03104278478640533	0.003994496890752451	0.02620098349601032	0.00043894422087748577	6.504936001834225e-05	0.014500462200029946	0.019833072973289956	0.0	0.016068724638466553	0.03509390121478727	0.003249407256991569	0.0026879306067639696	0.005095051370139066	0.0	0.017879538639489625	0.020236915215811935	0.005639320998880389	0.00557596598837042	0.025960339358674377	0.08347443075329905	0.04278215143632966	0.0007536459628366111	0.11454479090805537	0.026915939696768174	0.010285781437606265	0.005005704215398972	0.00377957974992286	0.004746297946159756	0.0056715229585569535	9.634677703474978e-05	0.06956917877422754	0.0	0.004512652344609234	0.006026063235435655	0.02250509243672842	0.003724597308544459	0.0485678551336617	0.014363792032784553	0.0011520897169507646	0.017475733506845472	0.39378451640639095	0.029157129691038307	0.0021440738809596366	0.0028237549399226488	0.1444440232396625	0.08662765989028175	0.022805398526648143	0.05692608997495113	0.0016545105722792362	0.0027669208955904126	0.0008346053023242813	0.0	0.0	0.1253903920002394	0.0018702553681081723	0.0006469647931852262	0.0020872431367656534	0.0001418184274366267	0.0009170038878933759	0.038530890757047576	0.05217222446722975	0.014783447149836416	0.08985560002158648	0.02893472321007758	0.36008933930882653	0.0027482907385455893	0.045828623927725236	0.0013062385188142662	0.013374262888623697	0.021464206922962942	0.001810464132373635	0.0	0.0017485074598792322	0.02653723969677445	0.007590895793739157	0.04035064919918643	0.0011294073651057345	0.0021625544115791333	0.03791631078000267	0.024622591316210345	0.00869536427017009	0.002512467616437157	0.002076407386836807	0.06014302582725237	0.0005794287949628557	0.0	0.0	0.0	0.004922571231871026	0.03240729652713335	0.022531019478035184	0.045581525538291305	0.024447850033709032	0.019430863661939166	0.0006176214042988164	0.012154566070071041	0.003589500561804548	0.0050883663075213135	0.02258667048877309	0.0009333446539901493	0.0008173897678888372	0.008271320366625975	0.014307353100490071	0.061196963740033555	0.0036362251701342906	0.010777654155531691	0.0008068517859844515	0.010230989206109924	0.013171538218139716	0.0	0.0	0.001744258528477966
+Tris(2-chloroethyl) phosphate	7.008474857591038e-05	5.464720431647483e-05	0.09368555710456712	5.3245311880970224e-05	0.00024598355362914407	0.007290297810211005	0.0001466046219209836	0.0	0.005039530518637378	0.0073024863932656045	0.0	0.0001609723711537564	0.08686889996281266	0.004482635687041465	0.016544905836384655	0.0	2.148856868050286e-05	0.0	0.00011506066500696094	0.00010230998697563163	0.0020800334804053472	0.0017897149681738757	0.0006971970204639777	0.0010315852186060354	0.0004534886407164791	0.0	0.0011081596986044092	0.0	8.077222384423941e-05	0.0001287536215257856	6.969332728191385e-06	0.0	0.00657912223178538	0.0009527925662667408	0.005259606223993677	0.009678678688911594	0.0	3.87653986568363e-06	0.0035580748179975343	0.0002837216914410891	0.0	0.0056470904632691075	0.07683115769219646	0.003989947387140996	0.02332856638044828	5.40432943182128e-05	0.0	0.001362008822412818	0.01570342877340264	0.0707136148639481	0.009243043079165408	0.0	0.0073430637658741475	0.012103882450319122	4.229252457562247e-05	0.00013406190553213782	0.0	4.019860816272773e-05	0.07012458828325238	0.0	0.0	0.0	0.000539602412782369	0.020321146433636084	6.296154675549912e-05	0.0018942044913697134	0.33292839004052405	0.13818487798088372	5.5012209102702534e-05	0.0	0.0	0.06510177516740212	0.005942731303422357	0.09435259052703464	0.008099916626429376	0.0	0.00018658140985180154	0.0	0.0	0.0	0.0	0.0018801476032855129	0.007407176063815913	0.0	0.002854266821215505	0.008123769083632893	0.0014550735737434734	0.0	0.0	0.0367802705616391	0.05321897641544736	0.0	0.02922577334269513	0.0007237612024176113	0.015877995500231452	0.0	0.0	0.0	0.00046966766227733296	0.0	2.066205774336412e-05	0.0	6.268303113532973e-05	5.102948470295609e-05	0.013496958985940987	0.010830585111707995	0.008649043538943968	0.0	0.0013421596455899026	0.02311407163060191	0.0	0.0	0.0	0.0	0.0	0.015555354071956056	0.002374718275652562	0.004982235338896674	0.013436903157235574	0.0	0.00015421209395810077	0.020166183595747376	0.03718350008302012	0.0	0.008023395361109806	0.0004304225322895322	0.008457052083815645	0.019710404238696844	0.02393816411338668	0.1995652393615503	0.04823252223242328	0.0	0.130200819354531	0.025239086246796095	0.0378513213354619	0.04358430286390478	0.0	0.1524264448510086
+Tris(1-chloro-2-propyl) phosphate	0.0	0.007111901685020533	0.004689241158578596	9.87996139814287e-05	0.0003155979880352822	0.03969265347660668	0.035615366380031536	0.0	0.012830540018268506	0.014699840809880686	0.0027694171194199337	0.0003868935789086313	0.024189328876705024	0.002381812136161419	0.0009021429008064969	0.0	5.6490853349808794e-05	0.0	0.00027433790644646117	0.0002739977434212633	2.6302389773340167e-05	0.006269232100282733	0.02211252608547159	0.0	0.0	0.0	0.0	0.0026870911585101373	0.015034444837801345	0.00010000511617932297	1.8664663119654422e-05	0.0028489063079176874	0.011272572978222253	0.0	0.016437893574991588	0.008987399859609075	0.0014074611970663895	0.0008125742473609907	0.016598809017733165	0.0002570813418028464	0.0	0.020359690690234612	0.0	0.0	0.05887937317176007	0.0058643469756895035	0.02801572705366562	0.0010924239883726102	0.0011065204143404694	0.044756227501096583	0.01576690253306394	0.0	0.0	0.06074245551260382	0.0003526979800527817	0.00848607055804474	0.0107714929750822	0.0	0.047224151869000086	0.09964139975161264	0.0011243369258007387	0.010528471578037057	0.002898098720896258	0.0030064866929327715	0.00012986369181812235	0.0	0.5818594605835503	0.04469447700898187	0.011313269714270673	0.0	0.0	0.11292639349695668	0.067712250936999	0.0	0.006960495634599246	0.00021881510572329595	0.0004996861672548938	0.0	0.0	0.0	0.002496914663681891	0.011571621162029299	0.0	0.0	0.000695303603043153	0.021733240622118184	0.002209695151664346	0.0006874002936841614	0.014229320354216722	0.0	0.1616294132082833	0.00907416157415134	0.03663031292211713	0.04411617664789084	0.0	0.006006820586328586	0.0	0.0	0.0	0.0	0.0	0.004097391162104222	0.0	4.09291278341706e-05	0.046758524092132214	0.031116474938832166	0.005685623315599438	0.0	0.002371640416010235	0.039428282592713526	0.0	0.0	0.0	0.0	0.0	0.006298370043919222	0.016240559406663153	0.0	0.04005617640185784	0.0	0.0	0.013424145040366712	0.07541235127945338	0.008824646303837278	0.019796219621059503	0.0	0.04893155866548651	0.01874545609628132	0.026233021232803556	0.0014873110781604144	0.007019124721256219	0.0024548224547346746	0.0047251152336172325	0.013193403853111038	0.0012179690008240504	0.04323305906761417	0.0007560951553798129	0.04588525621653367
+Tris(2-ethylhexyl) phosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0002572743090710216	0.0	0.00044622885080451935	0.0	0.0	0.0	0.03322948551240139	0.0021880065824974307	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004251521248796481	0.0	0.0038614119993763724	0.005297788892753681	0.0	0.013246872721325	0.0	0.004256577502802891	0.0	0.0	0.0	0.01935963527223305	0.0	0.0007990505180496684	0.015503575716184078	0.00045500367725766227	0.0006243537098955039	0.0	0.0	0.0	0.0	0.0	0.0	0.06864632098908381	0.0	0.004219506684435168	0.0	0.0	0.0	0.027198452394404077	0.0	0.0	0.006453453875849565	0.0	0.0	0.0	0.0	0.00014210771978908447	0.005212675630667803	0.0	0.0005628890614608091	0.0015168103539305556	0.0	0.0	0.023277806745017476	0.9452641792979458	0.08555718947557266	0.0	0.0	0.0019769568706141318	0.19156759494857456	0.01104571381091527	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.004006592075716744	0.0	0.0	0.046332929692472324	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.00048813581041414974	0.0	0.0044466360767978705	0.0	0.0	0.0	0.0	0.06801515166610442	0.0	0.0	0.0	0.0	0.0	0.0	0.0018911449390607157	0.00028448916407958	0.0030552712539794625	0.0	0.0	0.0	0.0	0.0023714901023075617	0.0	0.0	0.0	0.0	0.03783260071722563	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.000380636498151597
+Triphenyl phosphate	0.00012508036228595933	6.947338291989657e-05	0.007066408558883051	9.604604241560088e-05	0.0003573503320252631	0.0	0.008899905201486326	0.0	0.07269735761855818	0.01136907222933763	0.09110920205067836	7.487089810991304e-05	0.0018045753448239327	0.001076423497499488	0.0005256533933822513	0.0	0.0015086745049051175	0.020994445383889258	0.003158174638925686	0.013799861577471845	0.0008453798876868891	0.0005683714217028546	0.0	0.014381921761836709	0.051310920230406516	0.0	0.0008502024945116979	0.0015553061081424314	0.006087720695156178	0.09319719538313043	0.0008850807790028165	0.49352369372214705	0.024097410021578447	0.0029553896523573076	0.0834276310993994	0.0032024208753063345	0.012730761808602909	0.020379866972682993	0.04509527469541152	0.0	3.621068676882384e-05	0.1534510812351162	0.0011256883261074647	0.0016203732489589596	0.0	0.03746841220801022	0.0015440913255479135	0.02084960316571865	0.0027786910611503645	0.0382828358912919	0.0	0.01866125133349729	0.0003412817639484358	0.004297625865698053	0.0022719818657674596	0.0025758002684181185	0.014068360904298026	0.011153845444164987	0.006177675080128508	0.003323180694724719	0.0	0.008487368405312687	0.007855664083944837	0.020548838731255206	0.0007181446634817646	0.0010399750172430933	0.0	0.0235493319773733	0.0	0.009414877514759357	0.0	0.11407563332776915	0.014510945860984458	0.0065550864021773686	0.007869545961820004	0.0031511936687240913	0.0	0.017019506433089148	0.3511404548158184	0.007517378574735114	0.005158933517477381	0.0017173489248349157	0.0029053325266327687	0.0	0.0003570466536931676	0.0006794203921232511	0.0	0.01017900233131857	0.016805888268047606	0.05162600780534333	0.008230051982921044	0.008388590848313471	0.0420644724866129	0.00153718986489567	0.006186944656572584	0.0	0.0	0.008214283987899801	0.0	0.007624239545343446	0.004882473557904589	0.00807618885987984	0.0008979318796077836	0.0037862200781768247	0.19730293033207685	0.011095932822836448	0.0	0.0	0.0184216968485636	0.06779176605244225	0.0	0.0	0.2651187450269507	0.0	0.00928023660833626	0.008076981761418262	0.013313568567230163	0.015721832834795318	0.00786014267309181	0.023817758673078646	0.0795569454520204	0.007661249651959147	0.0	0.0	0.0011734678840505668	0.003058448937919691	0.0	0.0021836224946902346	0.005360898794681757	0.012550111539809028	0.052781325892338395	0.1792063481199907	0.08274232185019739	0.014182796882684218	0.09552444131483526	0.0	0.11772976158268496	0.007075839156270721
+1,2-Benzanthraquinone	3.097243888855389e-05	0.0003437637729513472	3.1530232576267535e-05	0.02170403830336347	0.006864678405062454	0.014049385648771598	0.0015558542775782928	0.0	0.006833803582186842	0.029003845375422742	0.014502300225841938	0.0001816605192353329	0.003445955844381289	0.007680394967257389	0.002144074670446207	0.0	0.0009240250887061408	0.0	0.02793891577687407	0.0005795346007742631	0.008716318579827059	0.12443864960515788	0.0	0.0	0.05171386031009925	0.0	0.0	0.0	0.016566218091492817	0.0012032759893841993	0.0017569707960511602	0.0259054897108241	0.004757137993526967	0.0	0.0033280178102668904	0.28952997066763914	0.007357527601722066	0.051038713466642405	0.002403101803461197	0.00011191471390652329	0.0028640477257399193	0.24521800543893776	0.003681335638271527	0.0	0.032518841141543145	0.0018014390528656927	0.03080299437793056	0.0	0.002882081768029324	0.02769715994134763	0.0006061741744126221	0.13066459378642178	0.0017642286952811496	0.040816239393167995	0.029378555087642796	0.005381833972533851	0.0	0.017174887867363466	0.03332714986895517	0.032837081803398595	0.0	0.0072577063839196305	0.07491345355179918	0.022200101841015545	0.008832038313254777	0.0018656755417058694	0.046055636054912925	0.002170996386152724	0.0	0.00792363426120554	0.020360157157732033	0.026517108242984772	0.03591642656946752	0.016304363476903463	0.0009372471365219886	0.03342882652719532	0.0010568898117064333	0.0	0.0	0.013642203333988849	0.007106023263605853	0.5006993559419709	0.0008843413730072797	0.0	0.0024496995071988715	0.000655258800124377	0.006793473213080414	0.010013464546914385	0.0	0.03332513580795648	0.02324711831397788	0.01936681845265751	0.24235945768491898	0.0007051273609181861	0.0	0.006066717077187918	0.0	0.0	0.14445142906744518	0.0016639658752219256	0.007485610896032623	0.02713927219740748	0.03932556195711096	0.008772358191305483	0.0	0.0013807658886028568	0.019973155386250614	0.0013562681196837697	0.0	0.0013638365899428506	0.001634221455569684	0.0	0.0	0.0	0.0	0.036764229880046594	0.05055502422735387	0.007948209907200665	0.0005837009075894701	0.0	0.0	0.0030165274496695015	0.008512835680445998	0.0	0.017489000703857577	0.0028304434263831096	0.019725584781574927	0.004566871075799095	0.0013152795118885926	0.0025283054326574153	0.1117708141308771	0.0	0.006044344865909068	0.0006454864808674065	0.002103518189245584	0.0018312070715986195	0.0	0.000450130027590085
+1,4-Chrysenequinone	0.0035514635277298164	0.0011320307542689208	0.013831180498304356	0.017411074891649555	0.006636710664600326	0.01786345354345653	0.021393739725308107	0.0	0.02060320260190112	0.025292273647878966	0.022207972468298084	0.0017581414903784104	0.007232984035775476	0.013176538928661061	0.004056292916711005	0.013867750645278752	0.0015588296695240582	7.586328191028819e-05	0.02879926693796668	0.013677191601206524	0.02080593974737234	0.11636616104609811	0.0150934155846718	0.006167993822119136	0.08355015896876168	0.0	0.0034342897722549853	0.006301628031654764	0.013295950281260491	0.001602885262047368	0.0025051610865224833	0.03418402690517781	0.029702417832770577	0.003379334475346136	0.03617896047244278	0.3107197666400225	0.013380114413088028	0.04926498280188368	0.012700565852866639	0.001547378406035381	0.001719936840064388	0.2600014252567014	0.0035160123497829767	0.012169570714193617	0.03616764222174731	0.0020625829145204063	0.06411414802059043	0.00839648677959117	0.0037522632021421884	0.04250466204452578	0.0008168722322314117	0.05650042858863693	0.01636055283167895	0.02252058198153618	0.03630956030729285	0.012809430291447425	0.013442038554047632	0.017022936517248514	0.0448006317765623	0.028339328128775588	0.01783614007510846	0.02015633124505948	0.07211765471868678	0.04790051511844309	0.007160952648316588	0.005955443273090227	0.05262204202675163	0.0158500059561554	0.0024125825851771436	0.008040414257259014	0.013762315437290043	0.03296857215846107	0.038430902438360094	0.048786875166626886	0.009951001928390489	0.02896157630884073	0.001369203631644362	0.014620653059363256	0.014699076135498498	0.020328563789016457	0.005187428349983511	0.432008405224844	0.0005736834159641399	0.0	0.0009077474227303355	0.010577435924801601	0.026471173983840364	0.016658800859066434	0.01840534236034041	0.03249421950424531	0.02945825414891096	0.017512851418269262	0.21887383493802492	0.008444373859187209	0.007675438157601377	0.012284352043018691	0.001718460589051417	0.0	0.1396019007486858	0.010350914733730652	0.019914847902731823	0.039840431746526885	0.034182011262964294	0.012367641828582078	0.015765343167650627	0.0	0.03564308409227861	0.00872249052885672	0.01689731093250841	0.036575183489601634	0.0071354745630704975	0.0031557086149399984	0.0054864166455875375	0.0	0.0	0.04703274012852377	0.05927116599911479	0.0416667342478074	0.06905083687448813	0.007977019036487551	0.0039042066344172127	0.007715769899429879	0.017537346068590913	0.02092840717976153	0.034859289603492605	0.04104895848241199	0.028271263810497608	0.014406921370181564	0.02044943415652968	0.01677928203816209	0.10995066314357335	0.010703413095917085	0.032393485084573174	0.022006812879161473	0.007948877596059547	0.00538312223431668	0.009954096181303329	0.012961208362920121
+Hydroxychrysene	0.001137720437242793	2.135249312914964e-05	0.0	0.0001681589883420906	0.0003851366154454509	0.00033365449229233305	0.007954364167739238	0.00969622861464154	0.00010183484755439642	0.006392489957432238	0.000240188110563202	0.0	0.06688508170118208	9.094088419889809e-05	0.002338469143839785	0.0	4.864403699289794e-06	0.016774089399122442	0.0010181223767416721	0.0024840191178874065	0.012006977883661592	0.000343316806629693	0.01036725399218085	0.0007488626391350021	0.016689869826376415	0.0	0.0	0.046734769642539094	0.06648544164294996	0.009417730669908536	0.00010613997319776393	0.001315142087735145	0.007315011619078756	0.007587402449571044	0.2768151802441769	0.017376829619041106	0.07742801008971137	0.019096574445198817	0.15447120900655886	0.0	0.003606776023541023	0.023041687218350246	0.06862827931449499	0.0	0.005804937246631021	0.025613529956724862	0.0030204627210692952	0.008849826509991835	0.004591818604627033	0.06421000799586139	0.00031194731882671506	0.0	0.03990526239142728	0.015467660429560224	0.0015387235722406183	0.009171103592485371	0.0	0.0	0.061883853445187174	0.0	0.0	0.024392600355246114	0.017252679828387015	0.001062917469655952	0.00019463588540645635	0.006940168468957292	0.0	0.016680515326935662	0.0004655057504455581	0.0	0.0004510278585516964	0.21690711597669307	0.038777923659966615	0.02226408728992851	0.021755265361705297	0.0	0.0034415960329854003	0.0	0.0	0.0014079375594358695	0.0	0.00039828108559777036	0.0009478175044175336	0.01688042387668877	0.020004034493357917	0.0	0.007108365469615084	0.0012024764356962057	0.0006679673511465905	0.011568253593674378	0.0009143037010166812	0.022783801362213182	0.14762562815382926	0.02038480177656665	0.0	0.0	0.0	0.07315249095750119	0.06146914775886436	0.0	0.013234370682496444	0.05802773630940977	0.000129698365109766	0.00022504738456261502	0.0	0.00913137426878632	0.0	0.03067756200421826	0.0007825787428108316	0.006900889902817379	0.008385810139878876	0.0	0.0	0.0	0.0	0.002593822882825132	0.06521680786604908	0.014759568408764627	0.007481560487121107	0.020382802780777476	0.0030891033072418107	0.0	0.0017488502995111925	0.0	0.007582113892785983	0.004093816240011652	0.003665218332382956	0.010259272881285947	0.012889643021158718	8.305143267418125e-05	0.1879350717506167	0.0	0.018027063872283554	0.009769960603711094	0.02625026394835502	0.0006750660371233136	0.003058868777775846	0.008402217084851499
+1-Nitronaphthalene	0.0998443907616445	0.0018804830588462584	0.2248805820668804	0.061274279678266895	0.0600088009320041	0.006817688388258915	0.018882542993978645	0.0	0.11972707731626316	0.03608205988039894	0.0	0.05770206597323989	0.06073349747753521	0.09807736653542241	0.004616932165815341	0.08073919020315257	0.0003944994227226394	0.03458273866338901	0.007263520891925877	0.02017186636674723	0.005233444363794684	0.024887900947913582	0.002085998529079782	0.03147135663239403	0.01003637360741073	0.0	0.0003673117463875344	0.005569585475277545	0.04902284357983593	0.000511929939554496	0.034895690444722835	0.029824916740104606	0.4441852730946378	0.013101161029864535	0.023372364638555673	0.06510245988990827	0.004440871265219672	0.025784796700940135	0.0	0.000698852930523526	7.180072273904042e-05	0.06161084326741242	0.0002313859995802323	0.006831311094376143	0.009060178466661177	0.01567609432114484	0.019085488288966165	0.0	0.003394428559555118	0.02635680070950081	0.0006311082343698007	0.0	0.006741145826303839	0.007562369769847791	0.01854544738368268	0.013741509663559935	0.02000515158496922	0.06083667755659052	0.07673464184613361	0.011659029731026003	0.0317766295578417	0.0064584575972643984	0.07182648474723641	0.02181054156294172	0.002896936183258692	0.032473721592689145	0.02126745129112841	0.0022503962316537548	0.0	0.0	0.0	0.1211193073924044	0.08189442078851188	0.18986198153962558	0.003176973918904405	0.0010354272828927294	0.01481887358768895	0.0	0.0	0.0	0.0	0.003445751806353447	0.0	0.0	0.0	0.0019331071483750467	0.09923565601917048	0.0	0.15940985950284528	0.0009989617364880303	0.02667246822804255	0.0001680219231429958	0.007930167548740251	0.031533416978282075	0.0	0.0	0.0	0.002891298094045169	0.0	0.02173277675016597	0.0	0.07538215713810223	0.03358155857809845	0.11139626548243896	0.0	0.0	0.0	0.0	0.23739288762841576	0.13424596834935312	0.02308915811001847	0.0	0.0	0.0	0.011514415308679318	0.0008141086669947695	0.1375391086348509	0.06398561971542999	0.1817491348572896	0.0	0.0009305568845539555	0.026930387247606075	0.0064745969070444265	0.0031148774444086386	0.0	0.055273154385132146	0.01240400024612787	0.029450696769224786	0.015225754767717677	0.024852507288048973	0.0	0.0	0.0005442833709529262	0.0009773370184159825	0.00092901455900404	0.0	0.0005939722254586341	0.007884902879833311
+Hydroxyfluoren-9-one	0.0	0.0	0.0008736146936799256	0.0032453833822524395	0.0013807570798464682	0.0009205445280843704	0.015608853791665368	0.0	0.010108635963882836	0.09025857672755687	0.0018599081447408883	4.1690399733471966e-06	0.0023755455783186926	0.002732393049335077	0.0005789307472268844	0.0	6.996445604021774e-05	0.0	2.0061171669952684e-05	0.005425577214765359	9.21248056345253e-05	0.0026428033505490733	0.0	0.0061531887328878316	0.020849907037918773	0.0	0.001618326262882636	0.0	0.0042713382264128125	7.395346515705396e-06	8.655704317516709e-05	0.004234191189622063	0.04627096426522107	0.24849347539341335	0.0016575629117037373	0.006235868460670947	0.0012081383137428825	0.0011646387123835388	0.0	6.489866232563569e-05	0.05431467765664733	0.005792502147855247	0.000412100914857443	0.009484723884179152	0.0	0.03787269994223201	0.0006839713449678977	0.013958873702097389	0.002468863101685405	0.22299854220633197	0.0	0.0	0.0	0.003230345321431776	0.01141260622382929	0.0031385597655854696	0.0010103424984297682	0.02855528170423886	0.008476295581776126	0.0	0.010891892113313333	0.000960645801251573	0.008994055822937778	0.00832870140565289	5.1462521116430365e-05	0.003712477527245943	0.0	0.0	0.0	0.0	0.0	0.000769752109142082	0.020177376145126935	0.0024381232403515724	1.8772353234899138e-05	0.0	0.009186932078288758	0.0	0.09466626728912925	0.0	0.015331320023725009	6.93609778195044e-05	0.0	0.0008160489117617483	0.0	0.02243046506412175	0.0041775344642023685	0.005026413331388292	0.1523860613282736	0.030646755212998783	0.0020277634707805314	1.2330813534450276e-05	0.052652931181796675	0.0	0.0	0.0	0.0	0.0	0.0	0.054495071557615675	0.0	0.0397856882228028	0.0007250650601632421	0.0011534226679822202	0.012050823360945132	0.0	0.0	0.0010562668792970297	0.0	0.02145794521360362	0.0	0.0	0.0	0.0	0.01573774883953784	0.12208072766906163	0.0031203932772319912	0.035346178808033445	0.0011594433878730785	0.011004219449202927	0.0	0.2428335730733469	0.006748145589820356	0.006847760157221253	0.0	0.0033713811889122427	0.0041909051776255766	0.027906146182990053	0.0007538025499129202	0.00912034579857592	0.1765304086864463	0.025920164978722963	0.00019262259647749312	0.0	0.0001884073666801201	0.0	0.0013293267900413106	0.0
+1,4-Naphthoquinone	0.008682263563095765	0.003346104056771972	0.015369442400122755	0.04930755252499487	0.49826122680474505	0.1404383817258735	0.003883020761604332	0.0	0.08166783261609603	0.11873949064030909	0.0013512399676443613	0.0	0.008421922555296175	0.0423755980928891	0.02356382077420337	0.34080173678898085	0.545085429754064	0.009618906545140676	0.012636517213044023	0.11803383582908032	0.0003953554485728344	0.044354438682251175	0.000749814530134586	0.45550160428460873	0.04424436433763052	0.0	0.0016182298462793145	0.03332391789564293	0.03281673286292647	0.0002624443343213739	0.061488064443084425	0.1932831868812796	0.02457402562163793	0.021659210946885957	0.011218968609848595	0.07948171085732955	0.018769869409368867	0.01799506548473187	0.0	0.00011897780234847456	0.0	0.05969581852185742	0.00011554045376352923	0.0	0.002106421315281568	0.0009179831393066587	0.007404478302229172	0.0003597876475370461	0.0007899405685577388	0.014419802508792944	0.12206911287593267	0.0	0.0	0.007859981852159035	0.030227792425452732	0.08809419760694752	0.008211841823260653	0.04575820837301995	0.07185534077573726	0.03784970506490396	0.23571567422202555	0.10415692282198355	0.06354754939141383	0.06670297292106728	0.00579936284023901	0.0035832683960461296	0.1559769886983056	0.0	0.0	0.004991194969340459	0.0	0.0	0.10217553541540202	0.008600004535715687	0.00196881980287851	0.0018710070194374543	0.0	0.0	0.0	0.009345695732024359	0.0002311605203876329	0.0050314119826730995	0.0013931199086969586	0.0	0.17355569431838436	0.0	0.005028990021139156	0.0	0.012625177196211479	0.15788141064947422	0.0031338847386590215	0.00021605469068939828	0.0018123785088382167	0.017327773542706433	0.0	0.0	0.0	0.0	0.0022008930105513053	0.00796495376006758	2.1344661593321676e-05	0.0067828821918431694	0.009929519002637948	0.10022978679313033	0.0016056605920492682	0.0	0.001872548625143859	0.0	0.19562275813235072	0.008986651620878808	0.03375133875893159	0.0	0.045021029108914846	0.0	0.0	0.010556489399051027	0.09917520935548513	0.0369704009533799	0.1216988274088978	0.0	0.001681507230640238	0.0009662784126223278	0.0	2.3724872599244416e-05	0.0008308013703498123	0.16035195522907994	0.08478134802571259	0.18577562000946946	0.00022697398702536855	0.01145158148729762	0.0	0.0	0.005580890588976501	0.000726814271633574	0.001161199385790428	0.0	0.00026486950966296384	0.006711806131417055
+2-Methylnaphthalene	0.02344277235773653	8.914725704303128e-06	5.0790032833003474e-05	0.0018180407400053323	0.000982813212180737	0.0005289140732614099	0.00029508760332477596	0.0	0.0037316886916523052	0.13995778649994448	0.0	0.0	0.0014499436197296276	0.023005766423008434	0.00029254051257262507	0.022791556581353623	0.0007082475068882501	0.6448171811704204	0.0008107307770056529	0.07238839233502255	0.001260921655171053	0.0014659101262690902	0.0	0.0014266124225742448	0.491883655999675	0.0	0.011691728956238863	0.0	0.0034156434312652673	0.0	3.0220450017358866e-05	0.11027808563158087	0.1832703469368796	0.0	0.08148119390533994	0.0058731678442284765	0.054091370978979474	0.07977420072027211	0.0	8.187697573332362e-05	0.0	0.05241402421650865	0.0	0.0	0.0	0.0074191574481983985	0.0	0.00023782018017258846	0.0007221794926803318	0.049619449749605644	0.0	0.0	0.0	0.02208440466322612	0.041664672240571736	0.00025837801739118314	0.0	0.0	0.05867095086116235	0.0	0.0	0.00020530587247547856	0.004834255401186343	0.0	0.0003717023032747621	0.002133065322666424	0.0	0.0	0.0	0.0	0.0	0.0	0.025879148957033946	0.013762700272260567	0.0009956605212503749	0.0	0.0012163050755522274	0.0	0.0	0.0	0.003158920012981193	0.0004504295912921333	0.0	0.0	0.0	0.0	0.0043014186313907595	0.0	0.017118064189282366	0.001406225054707713	0.0004039307274033824	0.0	0.007052319891856193	0.0	0.0	0.0	0.0	0.0	0.0	0.011136237315011595	3.2194182153214486e-05	0.0061430229544310565	4.0696616905979417e-05	0.12001351764631461	0.0010613440842430905	0.0	0.0012377574785076278	0.0	0.0160035701691519	0.03379195676202491	0.0	0.0	0.0	0.0	0.0015004216772177919	0.0008644355763866955	0.0	0.039015207203232045	0.03503319454840671	0.0	0.0	0.013204660599594641	0.0	0.0	0.0005491609646322877	0.0	0.0	0.008590465490135132	0.0	0.014266364391322818	0.0	0.0	0.006405040397832769	0.0	0.024428309613635416	0.0	0.0	0.0
+1-Methylnaphthalene	0.029909318583855232	0.0	3.8769826134582524e-05	0.0013877747161012484	0.0009842577572277543	0.0004037387951274155	0.0003521073416810844	0.0	0.0031036811854909994	0.13634021724190765	0.0	0.0	0.0014863449049537128	0.029010432016459135	9.32918185576131e-05	0.022292567050253613	0.0007192902340796017	0.6265974961958866	0.0008520452471218493	0.07355535668070412	0.0014655379083130672	0.0011375958544522183	0.0	0.002198790309737005	0.4934916130204833	0.0	0.011848889491502153	0.0	0.0032498691423460957	0.0	4.7587632729434985e-05	0.11199749982361164	0.19146681243865757	0.0	0.08204349119275471	0.007255109730560245	0.05493474317205845	0.07752017592686791	0.0	8.238565956322814e-05	0.0	0.05465478844446883	0.0	0.0	0.0	0.0073430880659147435	0.0	0.0	0.0007589814297907858	0.04412394988827575	0.0	0.0	0.0	0.02167315599925763	0.040485278477708636	0.00025998326377788114	0.0	0.0	0.057311974330191424	0.0	0.0	0.0001900564252990167	0.00485328271245653	0.0	0.00038773886499764485	0.0016282441077641258	0.0	0.0	0.0	0.0	0.0	0.0	0.025711080454568165	0.009860761216390424	0.0009293010119155249	0.0	0.0013026118991010382	0.0	0.0	0.0	0.0031265312820843564	0.0004691867476399169	0.0	0.0	0.0	0.0	0.0	0.0	0.01694255092138604	0.00010984884222620408	0.000493129872993689	4.111273273831739e-06	0.006957675744433802	0.0	0.0	0.0	0.0	0.0	0.0	0.011022056331600492	0.0	0.005130580483821817	3.76738056133187e-05	0.12067889055263885	0.0	0.0	0.0	0.0	0.015550560225090456	0.03305212872090596	0.0	0.0	0.0	0.0	0.0015194879903214942	0.0008555724297586752	0.0	0.031553077579982554	0.033735777792206205	0.0	0.0	0.013069271860092907	0.0	0.0	0.0	0.0	0.0	0.00874913381472835	0.00025132877636539216	0.014741099290662899	0.0	0.0	0.0002445249114373695	0.0	0.02339234657252034	0.0	0.0	0.0
+2,6-Dimethylnaphthalene	0.02245781349903576	0.0007522228669876515	0.11101349958339218	0.011673950392194406	0.0151759176165463	0.004160671369867917	0.004571953722431548	0.0	0.031876977829405274	0.030002642951094373	0.0	0.0	0.0067770064815619235	0.01910612141600414	0.002408878141769753	0.005770137794775571	0.0006585999918344611	0.07642026617047651	0.0007824315784789312	0.07754505197775356	0.0010477682159726876	0.004787837825781398	0.001768102929875499	0.0026377496778861374	0.37634144914082795	0.0	0.013602486416723705	0.009922085159687415	0.07045762727673932	0.0001824199399993413	0.6520526584093534	0.11012979701855889	0.09179720644203192	0.1710624900111479	0.07226225310842278	0.09042622673124143	0.05403349412771782	0.03995353210221013	0.0	8.608970699983348e-05	0.0	0.016241975443461055	0.0004947891079569761	0.0	0.001312177972406081	0.008294003545063029	0.008779008451714932	0.0021567970115776683	0.0005757616712447774	0.05922879180335925	0.0002430311648766438	0.0	0.0	0.008186810915290318	0.07025769700271811	0.0187824171771239	0.0026241123025995145	0.005421099506840083	0.01606744931481903	0.07054546626274591	0.02393327882960063	0.003838032183480859	0.43253258077919743	0.009407045756972881	0.00021516987369512964	0.023810934627302636	0.00844638699583546	0.000688921034950701	0.0	0.027719111219876757	0.0	0.001711747972930546	0.06163059414147837	0.027088917467034405	0.00022920783632259792	0.020161220401420543	0.0012255726085100014	0.0	0.0	0.08724027948212339	0.00246967452420318	0.001525935849407515	0.01049951067873243	0.0	0.0	0.0	0.023219123184332308	0.00013728590177421884	0.1626009219676974	0.04909289490803894	0.029384581344162233	0.001936858262237667	0.010328100805154741	0.0	0.000259362827706127	0.004095608139069801	0.0	0.0	0.0	0.013982175469693225	0.0006234358957432748	0.06849158535784064	0.010234120043398924	0.11427670678118351	0.0	0.0	0.0	0.0	0.0018979911674479237	0.028049939863866072	0.04404232070331228	0.0	0.0	0.0	0.0019006138563947886	0.000675824177897544	0.02502995785413737	0.09033403505779773	0.030742858576259694	0.0010182469339131766	0.01822225452345914	0.012058284819339632	0.007585387121370582	6.355275178217951e-05	0.0010539979783917644	0.021551380205673425	0.0106109853660564	0.01086581044054101	0.0010468573320176447	0.015265743472975445	0.0	0.0	0.006069776422352785	0.007831858763260119	0.003620156796847848	0.0	0.0	0.004845624363862005
+1,3-Dimethylnaphthalene	0.021938451483523795	0.02524901432897734	0.07858751402730624	0.0048075452303480036	0.014306967735194843	0.00568563467872059	0.0036503315637398622	0.0	0.03297323758222142	0.05451956891846487	0.0	5.493899411126993e-05	0.007452225976095048	0.022550201936497555	0.0018737343522813653	0.0015873697304562013	0.0013888700860279495	0.07383737813265526	0.0005601790998434057	0.0744585821479323	0.0010593546162696067	0.006871774431504577	0.0014519921599755914	0.004212315791392091	0.40563610002690487	0.0	0.0403391178888878	0.06313881247058668	0.06003482464398984	0.0011068978462480017	0.4653507600750384	0.13057292910299126	0.1080506189101584	0.12387858622382077	0.0746844596526401	0.06825731461386936	0.055891760225035905	0.04770328618127886	0.000567162874442437	0.007649449178782145	0.0	0.01538385114773875	0.0037095758038668144	0.12501061613532555	0.0018358913043557113	0.008364616151154242	0.01892306178709758	0.0	0.0011248662502682115	0.04700327494494904	0.0005446973332144102	0.0	0.0	0.008824333032446827	0.05845868551401615	0.013656792501512194	0.04274347489379649	4.607687186338635e-05	0.018044279215169698	0.0580150853811107	0.022563299169393147	0.008111769803758405	0.30934471447933987	0.03182725976192953	0.0004805623185711644	0.1326151986454558	0.03570561942783923	0.019432950739041378	0.0	0.08166209555320737	0.0	0.00528794317387125	0.06399874314874268	0.04074079469273713	0.0005537391239767902	0.014377779521900596	0.0016618567857891566	0.0	0.0	0.06441207066619323	0.0018457542741090406	0.002498501591279514	0.01823369918163242	0.0015387600054524058	0.0	0.0006320082281969703	0.06679024234785359	0.0002510300609717941	0.0816709394975333	0.03981323642492478	0.025906774795454925	0.0014303087214993931	0.010162082991465144	0.0	0.00018995458270375807	0.0044341996874651245	0.0	0.0	0.059124145894595775	0.1333057804755496	0.0013265355597424568	0.15898578027837335	0.0011997434569852082	0.0887629768574109	0.0	0.0	0.0	0.0	0.0018473076567759534	0.02035049202005384	0.10443972209418936	0.0	0.0	0.0	0.00040055525288061215	0.0005050889713101306	0.03338796663025898	0.088328233846382	0.059207178368745464	0.0	0.013272728639955919	0.009699315790365102	0.0002723416207295805	0.05622121216821558	0.0011349913946474596	0.01551275020890822	0.009973998403951422	0.014144182616350457	0.0021971301430689797	0.014664733235697006	0.0	0.0	0.00811750428718187	0.005914637140242994	0.012197837692864743	0.0	0.0005479358984685946	0.0009493031417388285
+1,4-Dimethylnaphthalene	0.017748114880895074	0.0004015909106779745	0.037678209123937566	0.011399828367694294	0.015426629112754308	0.004403499186127994	0.003351830627391269	0.0	0.015227921515441698	0.025657948945971763	0.0	0.0	0.004431378598926505	0.015581260751445848	0.0016131035818190585	0.000970669658180392	0.0008864548483823114	0.09766877277934125	0.0006093925914801314	0.09367406332255947	0.0008612918975500117	0.002916771388664939	0.001048968749466283	0.0019528239471740347	0.5025544000627589	0.0	0.016442861996453978	0.010231185678991098	0.07272876930808615	3.6677925196896954e-05	0.36631101106856906	0.14246675374411547	0.11544956100201756	0.0966204004419081	0.0972652186257174	0.04845008354803218	0.07063917732528502	0.04368642260145767	0.0	4.4449449679806725e-05	0.0	0.014454246607811425	0.0006972830987059912	0.0	0.0024838469240409575	0.0032714015460429302	0.0020894865232562103	0.0	0.0006601058302755725	0.02766554275000291	0.0	0.0	0.0	0.009052863067913622	0.045156055710296385	0.0085455315193165	0.005010889821316014	0.004907540291429209	0.014742968391183029	0.041940724847722585	0.007029190733989317	0.002540630113666488	0.2542407331228825	0.0020669596394282297	0.00026215029858722374	0.008785742652986366	0.0	0.0	0.0	0.018242226669165914	0.0	0.0	0.06214661185142963	0.013955455087009213	9.128173370600892e-05	0.011322367075128766	0.0007798140158478975	0.0	0.0	0.06674309554024556	0.0010550300303330462	0.0014333584577539342	0.006909222382749611	0.0	0.0	0.0	0.01877967559042124	0.0	0.04954236705295887	0.030015499433254492	0.023092811937145484	0.0014867465420373746	0.0066396224404687305	0.0	0.00017006366915595084	0.003672598671757104	0.0	0.0	0.0	0.012321648215182335	0.0	0.020323209004596773	0.0003213442105475259	0.07825745569761527	0.0	0.0	0.0	0.0	0.0024435357314426857	0.015787026602417858	0.02612914513692909	0.0	0.0	0.0	0.0007155600935405696	0.0002887080042003107	0.03543262834924716	0.06038335248482831	0.021798182461863155	0.0	0.010175612334429525	0.0060384440173912295	0.0	4.167140776734953e-05	0.0	0.008945594152695356	0.010941547040763406	0.008048944057852545	0.0	0.01628953581208541	0.0	0.0	0.00013192827251753655	0.004398304171703173	0.004610178322123631	0.0	0.0	0.0
+1,5-Dimethylnaphthalene	0.019646929079046693	0.008278029652290995	0.1254128873479193	0.001816361114478563	0.01341486762067665	0.003756063977316725	0.006256285433925497	0.0	0.047520019867851856	0.031690908105173915	0.00014805015617010402	0.001635709675873429	0.0073102280711004825	0.02096182839449299	0.002170403590956211	0.023560740266956894	0.0007407667404980656	0.06751455526654611	0.0005554253177402493	0.06709370579291438	0.0008654292016760101	0.004928043109915222	0.001989849317250383	0.0037592199346828652	0.3095309609464523	0.0	0.015175604443887977	0.008338252679453068	0.06003647746169325	7.327874027469304e-05	0.7083542048797238	0.11323002128434526	0.09446836022930223	0.18647998123977447	0.06081164594021368	0.10197399515189165	0.046355009203409216	0.03716195058679939	9.535884911917465e-05	4.0402537646628604e-05	0.0	0.021109624217946807	0.0005713898606252139	0.0357101276799749	0.006384758168612793	0.007022566036731929	0.023334470423490912	0.00026173562812152487	0.0005957205135548262	0.06340937500787319	0.00040017318181836915	0.0	0.0	0.00834991241330807	0.07758927694082587	0.028011873888282142	0.002912479611170666	0.0	0.016827460827526144	0.08107545109053585	0.0401574823319385	0.007148289753312005	0.4605229693016132	0.006169858290946092	0.0006634854333547711	0.03653349976642338	0.013907753603157767	0.002981068517463664	0.0	0.032203639291208376	0.0	0.002818550588548781	0.0709275536860452	0.025816350327318018	0.00041676483434809406	0.021897437066906045	0.0015736952902418305	0.0	0.0023994441115891916	0.10855322977987435	0.0027277339919838076	0.001872319122331749	0.012227228842035292	0.0	0.0	0.0	0.017900106095174895	0.0016921665917684781	0.18341368344055975	0.054611190278767936	0.03761431801990337	0.002408581191755091	0.013314877016096814	0.005131918029637728	0.0003310532308638297	0.0039259614446050415	0.0	0.0	0.0	0.01986580841771735	0.0	0.1096517312548561	0.001993612799585142	0.11902274375265011	0.001168073963869819	0.0	0.001362227674977809	0.0	0.0016601181824357004	0.030197434642252573	0.05093902353815034	0.0	0.0	0.0	0.0019675959205486416	0.003015945815017623	0.03357424695272785	0.0873209494254173	0.04109999762646678	0.0019547574211437194	0.019679615510775992	0.012969261477537722	0.0006196433459215801	0.028059101269310577	0.0006043851699781928	0.021059089885921013	0.011019303725327967	0.010506434588706995	0.0005566343255835754	0.015295506123375852	0.0	0.0	0.00011991682766470697	0.009150889571684523	0.008268663204075053	0.006208864545481163	0.0	0.0032481835312153716
+1,2-Dimethylnaphthalene	0.02552594380384112	0.0013333112266629833	0.06414632303673098	0.010720369040316901	0.0011724971632938602	0.003163214634931785	0.011050389714161338	0.0	0.017785519436036616	0.026177723193011083	0.0	0.0	0.004385551602088693	0.02561257316916911	0.001974557644030199	0.0015677535948490562	0.0008674175081606813	0.10255111278931799	0.0006569763819180819	0.09350946475870409	0.001185324330206562	0.0013032983224698163	0.001124000060764786	0.003349513592181942	0.49668201223230757	0.0	0.016230003349881086	0.007840202408556677	0.05599584822082561	0.0	0.4012524853732212	0.13506174227644582	0.1271604072168188	0.10560356531311123	0.0955555940521541	0.05497344505471457	0.06849875191494263	0.03660478949447746	0.0002704307426716376	3.364459918444728e-05	0.0	0.020098665920284007	0.0002226812197239674	0.0	0.0008823876626530085	0.0027907415949366037	0.0020135986345076284	0.0	0.002047518647997775	0.02948636756991578	0.0	0.0	0.0	0.009872848090204622	0.0488157380553548	0.015817907406207917	0.01887150563379986	0.005282618439203998	0.016233916085930306	0.044907767113360364	0.011353027210873662	0.0026083534476007185	0.2488863848836876	0.0005984591740215051	0.0002734438305994417	0.011294991825598165	0.0	0.0	0.0	0.02039115987705114	0.0	0.0030700108348388423	0.05118094367999248	0.015522211364098995	0.00011850180754742908	0.012404208512950203	0.001378493547818376	0.0	0.0	0.06304288320374137	0.0010320454538806274	0.001117913262228454	0.007769409636884298	0.0014390836304003347	0.0	0.004592937878771733	0.009641059468909153	0.0	0.07637582545733318	0.033445089470776866	0.024045525496305797	0.0013909023566899509	0.0072710207852065955	0.0	0.00023744791117259525	0.0036135317351527543	0.0	0.0	0.0	0.005906533475028299	0.0	0.034012648288554014	3.392039627698545e-05	0.0860284666016461	0.0	0.0033369812205856614	0.0001273216830273765	0.0	0.005990660563908464	0.012097667648274973	0.027998127433808955	0.0	0.0	0.0	0.0013373152602140174	0.0013380343771495426	0.016866504814676546	0.06727389384934654	0.024268878790017264	0.0	0.011147882444164297	0.007416438543319335	0.0	6.62612392301869e-05	0.0	0.01018138961744984	0.008384555432170461	0.006738417587831837	0.0	0.03451727183497209	0.0	0.0	0.0003941619243500737	0.006153017511029584	0.004118644880573305	0.0	0.0010729496909995008	0.0
+1,8-Dimethylnaphthalene	0.022418346731408093	0.0007901817491767567	0.08966727929106912	0.010405458688239605	0.013240975585849158	0.005511798831830123	0.005730469050910989	0.0	0.035634292774897526	0.029068019488782466	0.0	0.002184991749276394	0.005994613091605175	0.02024165045718288	0.0021613873874152187	0.002647839760780418	0.000788999199574584	0.08356695063172725	0.0006020154674311651	0.08189786104093089	0.0010086229456905524	0.0027413402460668684	0.0016254878295065573	0.0025078061726011387	0.4113505112863148	0.0	0.01726279721162555	0.007906166087113649	0.05810352811385471	1.2982456820949428e-05	0.5830219832859769	0.1151934453026107	0.10949196835342015	0.15336356955080963	0.07906815500026255	0.08094421711595706	0.05697036348322429	0.036091162535657986	8.18248178586147e-05	6.571801313763197e-05	0.0	0.01645768057937275	0.0003685067751844917	0.013312956748772697	0.006333972920563337	0.005685934480874613	0.0020926602653532017	0.0	0.0006752230714312439	0.054411490799144	0.0	0.0	0.0	0.008689948033620935	0.06548744789242042	0.02101988046305396	0.0017736461479362481	0.004707041070843819	0.015397800499741595	0.06497674579338782	0.01917456732546519	0.004292765613176006	0.3857514130094851	0.006256898098581392	0.0002572578970730676	0.022316887193405712	0.0	0.0012384713797093468	0.0	0.034150761504614366	0.0	0.0	0.06682088443372214	0.02359659035727213	0.0001701204297027845	0.018022983280675427	0.001476264779279833	0.0	0.002058897304300965	0.11342068715579184	0.002126928213236992	0.0017092366157729405	0.012944718561682127	0.0	0.0	0.0	0.02131676329481467	0.0002573404853488824	0.13107424796186137	0.05367821708362897	0.038266674830675515	0.0025195738947529508	0.01106299975788126	0.0019256631617095108	0.00032876303492630684	0.005640465933897259	0.0	0.0	0.0	0.013305702431414235	0.0	0.06760853087578181	0.00034616002384037177	0.10728426863231379	0.0	0.0	0.0	0.0	0.0020907279166665674	0.0151109210820267	0.0404898691568255	0.0	0.0	0.0	0.0018736526414039872	0.0005820319629453024	0.03309243226881279	0.07760854115727256	0.027078736824695377	0.001908689507019988	0.016197575096899276	0.011312981592245691	0.0007367360330229833	0.004003942876501169	0.0	0.015847515284186427	0.008455099034305935	0.010997420597816998	0.0	0.01676599817181883	0.0	0.0	0.0005463457535340719	0.007554330099979373	0.0034757806934984678	0.0020572718058429022	0.0	0.0016352317474866468
+7,12-Dimethylbenz[a]anthracene	2.617768324517544e-05	0.0	0.07961554012475536	0.00029238712106794806	0.000913764306818428	0.0025435411409824586	0.015582886966641386	0.44283507841639635	0.0010278215423898255	0.00407896880554957	0.016055614330531896	1.2771622413103874e-05	0.007904868804621061	0.004996141365680213	0.001495597773842863	0.0	0.00017096076007412604	0.00023053157783994635	0.01615572670254689	0.00335568463582228	0.0004794787830254242	0.006589465942827693	0.006786436042724069	0.04649057439855321	0.009988845483144356	0.0	0.06714311783027281	0.006906136669914156	0.078001697244562	0.00010541115366038374	0.0002854673190561144	0.009549421605967832	0.00826440785660377	0.19544535596652307	0.02250016886852336	0.0533673518711532	0.0015789568573783275	0.007760674505882551	0.003026056710913442	3.4157053683840425e-05	0.1742668774268949	0.012013567294359826	0.00998863898312195	0.013099949346363297	0.009742002063064957	0.0044086645345036025	0.01588959148233485	0.002528107844843052	0.060322297873729475	0.02109491010660228	0.0	0.07647548727811844	0.0036950946095765437	0.026420461297454678	0.4029936875593218	0.034937633510266186	0.05983002901612587	0.0012871826926598127	0.03824919901838232	0.0	0.002235760448314479	0.0020673138260997614	0.031209395289939903	0.017048538727518006	0.0007960769693114711	0.009903936204932861	0.0023444924363434237	0.021844467239019633	0.07488938154460298	0.0	0.0058097515659856535	0.008634601752198198	0.010510085801526804	0.032004260975283486	0.005554685625570728	0.0006314570813661093	0.002377474881697766	0.0	0.004475858759025034	0.041007221242121805	0.001993819380657965	0.01064333485732747	0.03628981517654735	0.0034642828275894466	0.004371307025047566	0.010428449102035173	0.017909418688921316	0.01873215673951002	0.002945796888169385	0.0431602426839042	0.017915565686727745	0.016195529074593977	0.22940748427633303	0.006578847101865569	0.0	0.0825763891046712	0.010590779915054983	0.0	0.002209814320604957	0.00818704394440044	0.0015751046961236075	0.03495865165091368	0.00915013449605928	0.0009260346269995798	0.0	0.043528522732008926	0.012385427227857628	0.0028406402364889367	0.009398766730048802	0.04199229584861272	0.0	0.0	0.006056888724941344	0.0	0.001360550208545596	0.0021847967102038056	0.06933998134080514	0.02650563729739836	0.014374397003379556	0.024796680470717206	0.0077762501873775165	0.07076045801335869	0.0019473726606372825	0.1442246492477802	0.341976232243931	0.0	0.0029697074621809396	0.05247786011106755	0.0035815117771109315	0.003840172686244917	0.019600113564348362	0.023131892533112194	0.017734439956203003	0.025979339589144713	0.01887190698818338	0.009988372774853564	0.0010376064566447612	0.0023256352502201492
+2,4-D butyl ester	0.00015594327385519448	0.0005564569835221028	0.08636066779058578	0.03723215767328048	0.011446382538635174	0.011437915516707024	0.04160051982606236	0.051746603037864644	0.01187453934597657	0.02619908210795897	0.006084710075024308	0.0003740448215227208	0.024551764219344345	0.0015518396940202802	0.0013334091947163902	0.003025483534478576	0.00014022535056300203	0.0	0.0614152582549071	0.011905010822332878	0.0041153032738319014	0.0020520152813400688	0.009071147965740246	0.051529297670069474	0.03532063717628582	0.0	0.0005825705889661465	0.005770026133720079	0.04438338510878258	0.00010683353546144406	0.0179311685027492	0.1639948974679291	0.006245260230698243	0.004096094989531807	0.0043450880470353006	0.004125545223428203	0.0033337633593681086	0.008280369594277973	0.025432640678653806	0.0003161471810964685	0.0	0.0011586990236556506	0.00026016318326540654	0.0010409457123010351	0.01062093078158102	0.008124444849994005	0.0022626996120353442	0.0003309508008856195	0.0048455628555919405	0.04534849643257471	0.000380025654400621	0.002575349970849319	0.006090281543941904	0.03680104202974605	0.001483811266345029	0.0010491824013930302	0.07101113480587744	0.0405848720124204	0.008214540523621647	0.00013631094405059163	0.0005807031470806199	0.0011762433040039052	0.004458935355718055	0.03581559191798119	8.644134777140788e-05	0.0012854853822918382	0.014325007464416463	0.07684900580992703	0.03137873054484059	0.004320644630524964	0.0013771117317371224	0.05761454081326175	0.016690101800806264	0.034149086570798105	0.0003914889332931764	0.0032512301333075255	0.001086022608097583	0.003370724817959038	0.0	0.0017197688035882357	0.0032499866510606323	0.0018166038421175248	0.0012110809793220035	0.009247611771415405	0.008622670448314659	0.0	0.014848464131674847	0.0	0.02696277097688278	0.0353912808148848	0.03464473323315569	4.272824639849581e-06	0.08425441744819114	0.01918800130651188	9.080960763852197e-05	0.0018671555431738214	0.0	0.0009671245197874521	0.004083531199145798	0.0011594618695913918	0.003609211257683951	0.005333168479765499	0.001985160967695176	0.0011173188995405477	0.053693476338530284	0.007562021650660223	0.0	0.0029220880036192787	0.013125524696481709	0.06217854860550092	0.00471531346583406	0.0	0.0	0.0	0.0012371734155906438	0.017874374510919975	0.012565736237877831	0.002793627438670036	0.0053937969805324445	0.014818857237542686	0.0051553119226862894	0.022619170146011187	0.0005993752709017391	0.008724927235502028	0.01671126181526842	0.005484247909525749	0.2716539393041757	0.04493849838880037	0.0011414837648617722	0.005375533299166994	0.010154457683334724	0.03401392166062736	0.010636863090079511	0.003995221575327625	0.0004676375301597355	0.006114614117448722	0.008503345449878595	0.007721793639984787
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+2-Chlorobiphenyl	0.014177258815092159	0.001170674486070218	0.007021911689671295	0.032219483949156906	0.01136743673239663	0.016731163263448135	0.031078418407288918	0.0	0.014830129983105532	0.00026804676695969137	0.0	0.0	0.10504553597452393	0.0021534288006122234	0.00539974772757286	0.00012300894459571764	0.0	0.0	0.011016434476272628	0.0029129140115759307	0.17425584009794842	0.004481634406906379	0.0009064996065756575	0.0031584835292318776	0.006558955923181662	0.0	0.004331768832271818	0.08651393249271894	0.0029344162434844275	0.09116907345223518	0.00010645206335833196	0.0031007573100803603	0.0006757149759783714	0.001238826416518854	0.0	0.00747450524844278	0.0001991690505237403	0.0005342342897792084	0.3554094688797483	0.00025838902569579454	0.0	0.024966508500402735	0.10224262223565084	0.0	0.014296438027778767	0.0006096335104561593	0.0010789189303315235	0.0	0.0007157200601698963	0.056935331177172505	0.00043167185364590083	0.0	0.0	0.005679409156073449	0.0007214928792212948	0.024745419248225934	0.0	0.0254699457150368	0.04634154870669511	0.005264702668207518	0.0008907802219458415	0.002835615096319095	0.01852802784692864	0.004612729455670436	0.00015611311373351454	0.0031961881482335916	0.015620977544811164	0.004189562104380016	0.0007179668299894689	0.1130222618421537	0.0	0.3192321429930948	0.014317027458472653	0.022370483477456436	0.010937077519040262	0.0	0.0017921600591133979	0.0	0.00620809664131788	0.13552608359857174	0.0	0.003759569097666931	0.04300424523916436	0.11235326985296233	0.00383177007838922	0.00039662764909592554	0.014838950014007144	0.00045245502380543694	0.006584016993322344	0.12960448825895113	0.0487219188682948	0.0028644564276584035	0.008060446751052257	0.0017066308928468006	0.0012554034808629686	0.018172160088563306	0.0	0.0	0.0	0.0013170349124657407	0.026846718015385775	0.0049582421021532805	0.0016036796350372027	0.001669448637976464	0.0037955155053750163	0.001560673078546468	0.0	0.0	0.0	0.0061984156738831	0.0	0.0	0.0	0.0	0.0005497405994060063	0.0005709784508118066	0.008450889674561764	0.006627358812046382	0.007058042351771953	0.003355850344204952	0.021817937174141953	0.007575386470842115	0.0006080583047598701	0.0015979290205062214	0.012240110386839262	0.053023908363980875	0.002026408535413329	0.004688149640193935	0.0073410210299705335	0.0036308944466971046	0.0	0.0	0.0040438743675058845	0.011918572575485172	0.0003211773939955404	0.011494912222454405	0.0	0.0041153232321242275
+2,3-Dichlorobiphenyl	0.0008574002722313741	0.0015404193592194906	0.021757999027317326	0.051104422012543504	0.009200786476157928	0.030704677774517512	0.01979012373899878	0.0	0.011047002817212645	0.0012616864100527324	0.0005429811710857602	0.0	0.014234124876214425	0.0017682387657380696	0.00628696218343299	0.0	0.0	0.0	0.0006769406507792096	0.003860609448818602	0.005687691605602653	0.00473220258551684	0.0	0.010165593675385146	0.00945786493883149	0.0	0.0028111064154214644	0.009608583476804608	0.0015033688632523979	1.2801995757466786e-05	8.515246688884902e-05	0.013170926478992555	0.0030671217388778017	0.0	0.0	0.002615589019259033	0.0002992872970287379	0.0005087417676459695	0.023733442938859126	0.00015745914211567395	0.0	0.0007055408972116568	0.011972968272449544	0.0	0.29040574850806206	0.0017957739939352835	0.0	0.0	0.004190899100348841	0.06005223630211792	0.0008688303995923696	0.00821284149527593	0.0	0.013289472746324981	0.003125819248929851	0.013189761578860431	0.000912681746280314	0.03670470630924076	0.010612171189368549	0.007903656761267567	0.0	0.009533911359887008	0.0027379654321956102	0.004496416324933913	0.00010491644316686757	0.09740522089714873	0.02907213297432762	0.017904894577032857	0.03959377558082923	0.12202406017211068	0.0	0.016906337417599282	0.013169269442646242	0.016718151898256584	0.009423526095828853	0.0	0.0013318569190022026	0.0	0.005501066020926294	0.042291017771398924	0.0	0.00027182844955700176	0.04797826165522673	0.0016436223939470833	0.00044339373202624695	0.09464191983939761	0.010239205795009136	0.008905767927105809	0.0	0.16247284419626656	0.015784075772777646	0.0007578302902993836	0.16735099523437563	0.02385860460131873	0.001162281222118883	0.03454129222335014	0.0	0.0	0.002568586991763788	0.0028572716035861335	0.0	0.004464354071093211	0.0013542264354921083	0.002600496065634497	0.005283449663993101	0.002527771473851336	0.00035334937795497405	0.0010209244269812584	0.013224643913177708	0.03032524586834333	0.0036772843267430526	0.0	0.0	0.0	0.0	0.0026875748586460335	0.005179530514313284	0.04226064844730648	0.026134323715778948	0.051059176903239106	0.08972411846626745	0.018616196190262047	0.0005388074755141832	0.0016744229233606896	0.26976017321587137	0.06428959176757966	0.002165634694960128	0.006541250974409568	0.0070639785611265465	0.04496134381174762	0.008415889948227843	0.0014514004956049321	0.01741560521554303	0.02102637859514857	0.0006261565627883236	0.043393080894723046	0.0005852762678905961	0.0026481392265229327
+2,2',5-Trichlorobiphenyl	0.0010820957234762062	0.0014403353466882157	0.015287864159726798	0.06670846937396162	0.0016592395860728555	0.0617399628666552	0.001587026223296375	0.0	0.004165212273764232	0.0025067453017460703	0.022372646943607608	0.0	0.025894225315377755	0.0012708480857284861	0.003967253776578184	0.0	0.0	0.0	0.0028585123202778777	0.004850776393706221	0.04224351001197713	0.013416195465502774	0.0	0.0008809119006753616	0.014198769526713178	0.0	0.0	0.021004737726414535	0.009875337648164872	1.421065311355894e-05	3.898617442168007e-05	0.0032789343384907283	0.004293799872993018	0.0	0.001392043866889098	0.002333069699481488	0.00029224140890718426	0.0008090852413199254	0.09013823626604757	0.0003015260665481584	0.0	0.0007578684029308429	0.02297235392970388	0.0	0.02790799028771037	9.964003114138196e-05	0.0005349595547642576	0.0011017542263692544	0.003030911344179934	0.0010931223672154418	0.005075962441495998	0.0005811933102415774	0.00011698128158566431	0.012327421628520803	0.0022566419497603023	0.002722954712727578	0.0019414407074206475	0.04942657297004309	0.03409845406513927	0.009847930852758287	0.003931578331174659	0.006247104233305054	0.007244504448535463	0.0043793755494956595	0.00011518708252898016	0.009756175963324589	0.03916769202589641	0.030547119973302214	0.008769652092426281	0.00635726027149364	0.00032558412745209745	0.08897149051383234	0.03295693411381526	0.005617010099171298	0.02732140155794407	0.0	0.0	0.0	0.004356932891472891	0.009811881665642286	0.0	0.0006498901626707823	0.007294626808298275	0.004823826050943317	0.006356148272851658	0.00767814272201312	0.011271243653422434	0.00029764125807487307	0.001694462287755314	0.20679370841482483	0.010997402899017529	0.0	0.01689308333512919	0.17209287478265317	0.0012760610159187203	0.05426470049215442	0.0	0.0	0.006193629262257843	0.004126891906952285	0.00014624973662174246	0.006035251777249763	0.002323298840530769	0.018176693517165606	0.005350585738337752	0.004631262434141204	0.00023683017622648509	0.010705943659009155	0.01891552699354386	0.009001956082910422	0.00795254838280551	0.0	0.0	0.0	0.0	0.006889232738649949	0.015907851683551487	0.008007148436383109	0.03341239397412564	0.004882889114928183	0.015149817671926693	0.024057846403561664	0.00042674419890781975	0.0022281543495517244	0.07906018586621784	0.022421846429953665	0.005029767701199272	0.007359492783536026	0.0014898016214366988	0.029911847312139323	0.04291644767918567	0.003001963822772596	0.024972546869168753	0.006739290493877644	0.0003620373604190621	0.012412292743058714	0.0020485541197407565	0.002376236210533144
+2,4',5-Trichlorobiphenyl	0.0007706365485599652	0.0010778909432427593	0.0006431350220569011	0.05135250795368017	0.0012828895881819935	0.05213224681272641	0.00024493281552861367	0.0	0.0032078935650879077	0.0016489297919181627	0.016237468270019442	0.0	0.017006338858575644	0.0009267885876829271	0.00171237577654668	0.0	0.0	0.0	0.001804366200597046	0.003171101248257275	0.025656928811178068	0.008575590750984104	0.0	0.0008876224721116913	0.010926262657257572	0.0	0.0	0.014480921890508796	0.008817836421207544	8.366691605145321e-06	2.8498284587720557e-05	0.0027861730737348397	0.00285163148368784	0.0	0.0013106544500462811	0.0017144425102055415	0.00019822347040246633	0.0005902766146666158	0.05609204417935955	0.00022173397680453307	0.0	0.0005551846507767818	0.014691284772298122	0.0	0.009429718303998363	0.0	0.0	0.0008322588719842058	0.0005517730593258971	0.0007461968278636796	0.00449097757083964	0.00018744658557352068	0.00011914746901538843	0.005294643850218085	0.0014536317294579848	0.0013175448038462204	0.0011430463849100099	0.03958140819408806	0.011234896329201062	0.00713224684090772	0.0037278030473888086	0.004663424926095441	0.004639177968134754	0.003340291275173244	8.41352867262278e-05	0.003299960639916512	0.027811062149032343	0.019841378189809168	0.0014990956445195618	0.004702613189462981	0.0	0.05557051689999443	0.0204552967790486	0.00421673962413647	0.0019529821766016762	0.0	0.0	0.0	0.003244771361398209	0.00716682338972285	0.0	0.000475815329722805	0.00229057425081263	0.0037905771617352977	0.00573369839314629	0.0007724067557275317	0.008286997759384414	0.0002100251897057177	0.0019369769825647394	0.12772087578472502	0.008323390698081468	0.0	0.005495898665688266	0.10506931198818584	0.0009320642306178011	0.04003374676360152	0.0	0.0	0.00460878714994475	0.0028191060223685454	0.00010953387381057947	0.004417647860794882	0.0017093370223599646	0.011801114567971336	0.0036802656975492326	0.0	0.0	0.008040126463304004	0.013405484079617037	0.007015248813808638	0.005608716750235026	0.0	0.0	0.0	0.0	0.005133936335309552	0.012234319282840777	0.006064113780819931	0.023241324929547304	0.001557752855162736	0.006929072473638399	0.01576259685451432	0.00031781241294051967	0.0016175543358863183	0.016037548183843602	0.01642827003880982	0.004472692744588452	0.005300781688458259	0.0010546463866751982	0.0005163247645011471	0.0023715026202106816	0.0026247230187454195	0.001296940577277685	0.0022810309939373047	0.0002131538163630916	0.003242209615927126	0.0015975678367482749	0.001809271526227216
+2,2',3,5'-Tetrachlorobiphenyl	0.00026952188376262655	0.00041713420451850163	0.010395762182469815	0.03203588246555784	0.001354635898359776	0.3639731834687101	0.005687648885843616	0.0	0.003394921549273294	0.0007688533169974118	0.029418119450518976	5.405798298229733e-05	0.003310133240363628	0.000603028373824056	0.00202239523375681	0.0	0.0	0.0	0.00036841827417242215	0.011080448659827614	4.8967318722425385e-05	0.002083226320149473	0.0	0.0032646717497356063	0.020900912866416283	0.0	0.0	0.004216785121285209	0.02341170239906438	1.723288977926183e-05	2.8457981111057118e-05	0.010204669553268918	0.0016156249504339615	0.0	0.005007934598929206	0.003691466618795377	0.0	0.0016916804312332183	0.003592003855143631	0.00021379098001651282	0.00038950081470730773	0.0010227142947349585	0.0033127133634737573	0.000540444972274522	0.0029816983651016595	0.00022845062414913325	0.00084359380585675	0.0019648125941325438	0.0023150998248412363	0.005603200234950897	0.0029773910444552474	0.0036716861753031886	0.003035737164307309	0.015538310163339307	0.001473044765914229	0.0028474974740962337	0.008356191759155591	0.0321989909909663	0.006533347452637412	0.010190407538124361	0.00432735502658714	0.005518859220158205	0.002076758853203097	0.008672210145421957	0.00022098349274019303	0.005138090385094645	0.03402062734737639	0.009252837130019738	0.020052874853681058	0.004824861097510422	0.0005134233995033505	0.012424309679630412	0.010096010687886623	0.013126535537674544	0.006409058202140126	0.0	3.990413123896168e-05	0.0	0.0	0.00155959597783305	0.0	0.001601778088421493	0.0020615796049533305	0.04976175112292776	0.0026801891357821706	0.00040814973915494386	0.01848004571828604	0.0	0.041177468862105285	0.013921041719672024	0.013043814932583584	0.0	0.02702248038962093	0.010729994363619405	0.00020282955866305968	0.04531165487908849	0.0	0.0024885383213843946	0.007683364105115942	0.003918898691527636	0.0004526273330339494	0.0064322357289082095	0.001440328994440687	0.0010248186190232058	0.0015126443423088643	0.003980565670032734	4.1957467163975966e-05	0.01886299265654319	0.011243072454829492	0.012652005449376197	0.011807088679401525	0.0	0.0	0.0	0.0	0.002591890643973151	0.007292022114155876	0.016434063628351973	0.018843886313933567	0.005774704428592135	0.001636831568106314	0.017214963818254728	0.0002774466148638309	0.0025670781131072974	0.021222507958055123	0.0062418122449029	0.008272763213934694	0.0064855608393939446	0.002269531388546486	0.008509194152041351	0.015057664553677245	0.0022424809830286422	0.012114390624709922	0.014296666224601105	0.00327959809672932	0.009416392744923306	0.004274228237567436	0.002619132927033647
+2,3',4,4'-Tetrachlorobiphenyl	0.00024933844844672885	0.00031045356464666935	0.005252437081943058	0.024440108601980697	0.0009532100024581531	0.21612677382540924	0.0026604515436390794	0.0	0.003079375733414221	0.0005774191205172992	0.020870291074049103	4.228503284501992e-05	0.0025077233592384176	0.0002926931674434248	0.0006619871983205564	0.0	0.0	0.0	0.0002678610882547096	0.008548206777939606	3.9936709313930405e-05	0.0018504320502101203	0.0	0.0022711958807194997	0.015486464464571607	0.0	0.0	0.0028838363473225152	0.018793539481994838	1.185498888123546e-05	3.4214676415302386e-05	0.007051069164613709	0.001162068913657071	0.0	0.003464503519273078	0.0024903572832797333	0.00031375065222408644	0.0012922010768199918	0.00341932569621851	0.00016454661166661838	0.0	0.0	0.00023430689577581072	0.0004237398595459917	0.0022953477286978587	0.00012265570248144806	0.0005999519178380173	0.001494308984342283	0.0002662938539153034	0.0044771474577599175	0.0008610552983140889	0.002196347919211581	0.0020659987233887177	0.011991974328637592	0.0010138943487077085	0.0024554251613985736	0.0	0.024479909787328072	0.004037558899839663	0.012651156875309676	0.0014743587272963825	0.003650240896178395	0.001573793088918112	0.006980781715241883	2.6611252383612344e-05	0.0036098059835109695	0.02655124907357271	0.006550595718782813	0.012195150046186345	0.003299696191192725	0.0003651394202475403	0.00961828425431041	0.007243169343578329	0.010133782697498003	0.003939317459156986	0.0	0.0	0.0	0.0	0.0010182188050424543	0.0	0.0011398869884866945	0.0012854335791998004	0.006113248444500033	4.9416428503038095e-05	0.00026276632009608885	0.011213841569437345	0.0	0.025150150773736366	0.009339354243165671	0.009243260931187812	0.0	0.016617144009934953	0.007379797166200217	0.0001324220335167451	0.02942594220696344	0.0	0.0017662929075511662	0.005116109319456798	0.002255958276158024	0.0003144654963799937	0.004438944300002962	0.0010677421575722153	0.0	0.0057715866189017185	0.005044578451372187	0.0	0.01330821802771575	0.0070356118184376855	0.009711064217668045	0.006871091866796264	0.0	0.0	0.0	0.0	0.0006168134465471892	0.0061850858783952245	0.012297213430230986	0.017049577519358712	0.003293249852243294	0.0012266776053246969	0.010895505025983005	0.0	0.002045266002583492	0.013202369698011841	0.004577335304149479	0.005324025680540874	0.003622433852403855	0.0016803909791086767	0.0010750070532651263	0.00947091718301544	0.0027113479827236137	0.008429548192979665	0.004462540779636044	0.0018374283869714908	0.009049685206580447	0.0030812733087560848	0.002002994118600149
+2,2',3,4',5,5',6-Heptachlorobiphenyl	6.866641505712793e-05	5.7956033120162e-05	0.013437220643676428	0.0017914749556366004	0.0006660204403978875	0.008139724972687596	0.005581121643793817	0.0	0.00198263550427069	0.0025143101495290134	0.003839153913903506	1.2770608425590488e-05	0.0007525214845761831	0.005511499888477389	0.0009204788795514905	0.0	0.00014217224886666827	0.0	0.0023844920224269464	0.007183995790534673	0.0002097093337125656	0.0011494521072389122	0.00650064048186925	0.0030817756689389833	0.0033531919462753243	0.0	0.0016739836602315578	0.0022515538305005515	0.01543306273714945	1.892880070883089e-05	0.0004866901927857508	0.0008245221493367161	0.001728078437614318	0.0056157959943638576	0.00019109705135913693	0.00924356023872442	0.0	0.0011479421510756805	0.00018879984529713138	0.00033163643518727804	4.1271984152486324e-05	0.0006965009238557466	0.00020988624847710955	0.0008279412840699389	0.0005637343787057852	0.0	0.0023712976068595254	0.0025678652405907534	0.0007401685962655273	0.01014756913457382	0.00035970841047556145	0.0	0.00048262751406780407	0.0011894413527257332	0.009212010519425648	0.01590923069663916	0.009182125353456224	0.00024597128123096874	0.0029885405993775056	0.011787209314565722	0.0	0.0012262588428825017	0.0017273521441558684	0.0022973980987313464	0.0008018044879238412	0.008901077135006888	0.008211244107427677	0.002034965373366867	0.0	0.0017344401307534888	0.0004727994289530818	0.002756738956423771	0.005774044841374951	0.015101548299025075	4.734466422316962e-05	0.0002520524454902861	0.00017978048378964833	0.0	0.0	0.0	0.0	0.00012029831543343299	0.0003045988369095205	0.002923551755077328	0.0	0.003241561772282895	0.007751690326813381	0.0	0.0	0.00417955540673308	0.005078764459472575	8.90589981103468e-05	0.0015533599917017073	0.0	0.0	0.0	0.0	0.0011705271334126876	0.0016392554798291385	0.002834563447507635	0.0010518459701158362	0.004098855844964126	0.0003982203077208072	5.6687001089287346e-05	0.0032728636908415996	0.0	0.0	0.002097187698171121	0.0027412774404472697	0.0015272222148477634	0.012696788998285339	0.0	0.0	0.0	0.0	0.0004702191483495265	0.00505261570487639	0.01672581905334993	0.007514211896016042	0.0014282476149020797	0.0008318482559514094	0.0011249072724203084	0.0	0.0036543509769267524	0.01575484911991567	0.0	0.008906607167674229	0.035816711540094456	0.010466199992459504	0.0015414022857105979	0.04850085019273313	0.02582748362062698	0.009470684636715875	0.0018596279596046874	0.014686184421586132	0.012763297603518187	0.000782508882937047	0.0012164424988781607
+2,2',3,4,4',5',6-Heptachlorobiphenyl	3.526058628324576e-05	7.103744220680236e-05	0.011390047586627906	0.001563243492945881	0.0003079150516816785	0.010461483076324834	0.00851992602558618	0.0	0.002074074914503372	0.0001879821520476461	0.004086184944694456	3.868126860336582e-05	0.00031117892026009985	0.003732073589045763	0.0007524201031975346	0.0	0.00015588364711274395	0.0	0.00013807477885431984	0.0012747352192381141	5.0766025249306635e-05	0.0010019319555767247	0.00595804489573409	0.000879189402880221	0.0033505267465700666	0.0	0.0011968076388493292	0.002327693021150629	0.011619385406034766	1.0652281614250342e-05	0.00035552896456157496	0.0012431890319130803	0.001671277949482554	0.0036171102514306716	0.0	0.002581894326284441	0.00017686522757274164	0.0009397997345119484	0.0004441020853903973	0.00034469886768988863	0.0	0.00044757795179703556	0.00011811458423214503	0.0007834971014201939	0.0	0.0	0.00030516983618281466	0.0010017868538632602	0.0008608992702436447	0.00548295264045974	0.0001224191332354092	0.0	0.0004358531070191972	0.004722281547835308	0.002317386463543185	0.015996241780767712	0.01333140665228975	0.0005246118335885337	0.003423058033777096	0.00890593757491764	0.0	0.00047509339785846655	0.0009761772875549206	0.002141307997068694	9.343730135234307e-05	0.005396226557203253	0.00048804156173980104	0.0012585849021946134	0.0	0.0018869931815147223	0.0	0.0	0.004301099490456907	0.008734978714924428	3.300504160074464e-05	0.0002578498606238733	0.00017093494096455863	0.0	0.0	0.0	0.0	0.00015392665706943248	0.00033138989242360395	0.003040350669863646	0.0	0.002898349950523538	0.008703034821206932	0.0	0.0	0.002150515141914318	0.004814962238955586	0.0	0.0012153173768532127	0.0	0.0	0.0	0.0	0.003177856783985843	0.0017834365443645665	0.001741444890303471	0.0007806036641534637	0.0020106855767576827	0.00039494087953673726	4.883890286725731e-05	0.0037589470445386604	0.0	0.0	0.002223149949895773	0.004860117416694372	0.0	0.010312099320620757	0.0	0.0	0.0	0.0	0.00048209508048231833	0.005718964538684414	0.007883468012847174	0.010108817856913975	0.0012898273355803204	0.0010865203993359906	0.0009275768925666517	0.00029964985661923125	0.003769009597423393	0.01632487749710596	0.0	0.008707505552010372	0.036248148623998874	0.011061635881375705	0.0014729640887900192	0.04422325233836937	0.023818125446960502	0.003323207993366107	0.0022465519118789004	0.013005836856338219	0.01113944410109394	0.0013769814144450763	0.0011684299632882598
+2,2',3,3',4,4',5-Heptachlorobiphenyl	5.794160856526127e-05	7.748735332650998e-05	0.0119303537886661	0.0016473956353098196	0.00033603736574376575	0.010342030553805595	0.008703672258327666	0.0	0.0020248073448813925	0.00018820156282664004	0.0036325773724870452	7.575359327801983e-05	0.0002633887387765931	0.003559852587813612	0.0009561688650517822	0.0	0.000150636002972576	0.0	0.00012919190785849472	0.0019584055604733993	0.00010378651985368377	0.0009942226553860392	0.005874581355019511	0.0008742581506675733	0.004173012129192562	0.0	0.0010576473925100695	0.002701605266791336	0.011647471998582	1.0651301739300135e-05	0.00014203227863032609	0.00121312010790365	0.001698519931924526	0.0037874290185034368	0.0	0.00281923866196141	0.00044428589323847303	0.0009731901931352591	0.0005510404490108231	0.00030053211189577363	0.0	0.0004918825735534537	0.00011810371918683977	0.0008931677528268695	0.0	0.0	0.001179880663345232	0.002354130751781452	0.0007665728168489111	0.009340994618335357	9.295907075279448e-05	0.0	0.00045401924826776036	0.0045665647103909105	0.002357976459891811	0.016374316574451687	0.01387156082851985	0.0004885636055251824	0.0036524725288323897	0.009185293306582293	0.0	0.0005052138676220954	0.0009470608131045699	0.0023737806149952893	8.582587005404811e-05	0.004816864444177508	0.0005673323188962489	0.0009557074934236435	0.0	0.002193567723195103	0.0	0.0	0.0030085037527143887	0.015030427605042413	4.529577742933548e-05	0.0003079992889852529	0.00018340721777179996	0.0	0.0	0.0	0.0	0.000163025558644677	0.0003852298879161813	0.002986289327487433	0.0	0.00305432300204682	0.012315883932882498	0.0	0.0	0.003486082258291925	0.004782210005936084	0.0	0.0012605696403288412	0.002347486425259273	0.0	0.0	0.0	0.0028006549886232723	0.002073186526802615	0.0019196837065405753	0.0011023747718569754	0.0025042675180527428	0.00036443826602438207	4.977598582514984e-05	0.008389965756222584	0.0	0.0	0.0019646505180455085	0.004806389559812207	0.0	0.012161220585656971	0.0	0.0	0.0	0.0	0.0004845508046133239	0.00521519937911462	0.016364269946070136	0.01289347623679938	0.001343586698969183	0.0011314569070730513	0.008284745356374355	0.00033581377646348044	0.0038933803761437773	0.017323105318280428	0.0	0.009546331132463682	0.0366277183681226	0.009360499929410194	0.0011326699490664764	0.04290373763078878	0.02529206595562371	0.00968856193420982	0.002563713145745317	0.014798777634870563	0.013388742662370952	0.0013234562041587294	0.0012314842254164814
+2,2',3,4,5'-Pentachlorobiphenyl	0.00021289642283086065	0.0	0.02166950207996737	0.006136776310380019	0.0007816098754279579	0.007052512521298103	0.007091613699731605	0.0	0.0032662896686778274	0.0010776141123560645	0.012116153079781686	4.7556921919965326e-05	0.002153671436845522	0.0013640810238495242	0.0005380470374523557	0.0	9.970331490512605e-05	0.0	0.00031805134692738864	0.015938635746254908	0.00017044194344649033	0.0016498916021884277	0.0007037540069279336	0.009440669279095742	0.013924073616968005	0.14296082081397518	0.0006975723869813917	0.0028225813944845156	0.06839228622173203	1.249107430156401e-05	2.7692566010433644e-05	0.006006134398826737	0.0006186627409391153	0.000961753373293442	0.0	0.005742383572580725	0.00037627310576905735	0.0014658075760443812	0.002911730660815858	0.0002752671769368237	0.0	0.0009095473628059904	0.0007387368992670798	0.0008086021439526679	0.0027580673270668934	0.0	0.0	0.0009760843783888828	0.0005281230061559212	0.0051406368738931485	0.0006995653006874997	6.929026847461314e-05	0.0	0.01665567349709076	0.0038834240152121513	0.00879960746449518	0.011021635582089732	0.012057748669860239	0.00331637451738508	0.018727550655061875	0.0008506538115574163	0.000357665930240739	0.0017229990464756692	0.011216619246189639	0.00013080642994334888	0.0055650328622759955	0.018615241278793628	0.0033827738265342355	0.001322975028812653	0.0032296080480985795	0.0	0.004752326492396916	0.010994012085958082	0.017834996429171423	8.783141547213848e-05	0.0	7.89481290864299e-05	0.0	0.0	0.0	0.0	0.0004750957489292736	0.0005671771758977305	0.008389527923748329	0.0	0.0006091288178092275	0.018745710601549323	0.0	0.003171096463868819	0.014055352201544118	0.006434283791742083	0.0	0.005492190706745352	0.011048379705111045	0.0	0.006070260774519924	0.0	0.0014554997077556226	0.004735610860894768	0.0023160369115135574	0.0010896692042132354	0.00460289827021567	0.0009073673023119273	2.846628726686634e-05	0.0070174429106158506	0.003934245539594667	0.0	0.006561025763433851	0.011919696215484187	0.0209245875140705	0.010850400102970548	0.0	0.0	0.0	0.0	0.0	0.007273198917346457	0.01786660935911249	0.018724328531357148	0.0	0.0026208504348632293	0.0	0.008403755860974858	0.003542634143673179	0.03922492063123241	0.0011183381622733109	0.01581970290757988	0.013677458016187865	0.006010095390692914	0.0021231548639647855	0.056407877238752416	0.07284442301602055	0.009288184365269	0.004664367982980187	0.001960089160470062	0.00521769715849582	0.04252090898991891	0.0012975352958249297
+2,3,3',4',6-Pentachlorobiphenyl	0.00016444567934470654	0.0	0.01525192931424952	0.004654849720183045	0.000381404005719441	0.005602118341636979	0.006291455013730085	0.0	0.0025901989072532722	0.0007815156977290176	0.009258755398348365	4.262791561621207e-05	0.001295845807893617	0.00023262616251785585	0.00018924032461962016	0.0	5.048886329544623e-06	0.0	0.00020907376600309995	0.01310529137585532	9.942273386663764e-05	0.0012273991376008356	0.0	0.0017926874525822044	0.00911038183315881	0.17216063410865395	0.000565262052764356	0.002161496951710462	0.049318137015802434	8.262584252734102e-06	1.5156174483798922e-05	0.004330260558207736	0.0004688737828608501	0.0	0.0	0.0038913706781057017	0.000341966248045236	0.0009644425528448439	0.0018616067081469	4.0144615636195276e-05	0.0	0.0005105784336104553	0.00046563593852249566	0.0007663420904501244	0.0018463641626664362	0.0	0.0	0.0007427141348026596	0.0003803021624421751	0.0	0.0005463565180132409	0.0	0.0	0.013936932307887057	0.0020406271621426207	0.002018964529921405	0.01033711085138405	0.005374924886488483	0.002256566287852305	0.012381972585473149	0.00012599930267601678	0.00028659044574231776	0.0012809599761428759	0.007118882530952471	8.141893512242476e-05	0.004623125767993957	0.01483310785076292	0.002576062801139701	0.0005650968086452253	0.0024731927889929096	0.0	0.0028764509087707752	0.0069250031736070245	0.008867638659405921	5.623767551964743e-05	0.0	6.131976404574006e-05	0.0	0.0	0.0	0.0	0.0002657217778144189	0.0004343370714404453	0.005227701324600241	0.0	0.00036909304645182	0.011558272820225986	0.0	0.0020290009350635053	0.010360518482806346	0.004880595105691908	0.0	0.004127531622749623	0.008964930308388165	0.0	0.005047551136201595	0.0	0.0019384589088432375	0.0037371167877645684	0.001745544119435466	0.0008415512280887467	0.0035890729916832026	0.0007055515318208915	2.3067013940558907e-05	0.0033419498162518394	0.0033751475608882874	0.0	0.005003711358290341	0.010031706421944842	0.01566794734518925	0.009434516088203863	0.0	0.0	0.0	0.0	0.0	0.0038509227658547695	0.0067852306695875214	0.013675181113173333	0.0	0.0020760350711693126	0.0	0.010375690050493505	0.0028427120738425612	0.02753844876831702	0.0010086986585814551	0.008648489451348414	0.009200941315511746	0.0005680690345537759	0.0014318370803264413	0.04043034097487372	0.05049650773278839	0.003418526228325545	0.002953591815400498	0.0008859683208479927	0.004476207105204031	0.04778600002159534	0.0010039613392514395
+2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	0.00022759619163517783	0.00011304348942210111	0.0013407055292621421	0.0002711089406761901	0.00010959765805871574	0.021682040487439224	0.008415875931374899	0.0	0.0	0.0	0.00015373332510041547	0.00017148178092697087	0.00023737350156677255	0.005199206264434963	0.0012937884456678099	0.0	5.439372189557882e-05	0.0	0.0001447909776075957	0.0029227675030230075	0.00021277739079856686	0.00013116656897952815	0.000951528177264498	0.0008898215000420635	0.0	0.0	0.0	0.002436742527274564	0.0005047619048371136	2.4619013869078137e-05	0.00011654312257341	0.0001252325805748382	0.004430669176876104	0.003940925700300136	0.0	0.0003250400743266387	0.00047018619401788475	0.0005664726286580478	0.00030073004318000447	0.00027122398825326884	0.0	0.0019135013678015691	0.0	0.007799748620547179	0.0	0.0	0.0023505124409502654	0.003654362514854257	0.0018260931669885384	0.015376301068251374	0.0	0.0	0.00018903643711155286	0.0011313157513456308	7.070776904649275e-05	0.015985862465085834	0.007666994341230046	0.0001434707033489958	0.0031980056996770705	0.009795891609349457	0.0	0.0003560167475632809	0.00029201450063421323	0.005404824014124281	0.00012991166635767365	0.0	0.0004914285446914722	0.0	0.0002358839099835417	0.0019000888156507298	0.0	0.0	0.003349800302323469	0.017287951974550884	0.0016372380087796249	0.0003465902116431743	0.0025517599979785793	0.0	0.0	0.0	0.0	0.00011631496794839548	0.00033368972097097934	0.0	0.0	0.0013434483235848962	0.005956006476554492	0.0	0.00033847648579850243	0.005090659863292665	0.0013199472617284342	0.0	0.0010500214007088068	0.010984424874671097	0.0	0.0	0.0	0.0	0.0017958135008467491	0.001105056346734819	0.00107386221153296	0.00699562307003533	0.00026321532394590837	1.4988751940700042e-05	0.008953330979848365	0.0	0.0	0.0	0.002813913165967829	0.0	0.013726885631615305	0.0	0.0	0.0	0.0	0.0	0.0035556803683083854	0.02143342435478976	0.015481441730132153	0.0005594186667033481	0.0008887332483636911	0.033343390630108244	0.00037735944236072093	0.002277879204490975	0.01423235091459489	0.0030222627527320303	0.006189595422339968	0.010828446554239547	0.009945543989939807	0.0066873276556346966	0.04259124563045007	0.0	0.017534583876449482	0.005786883150843159	0.0010368341505142729	0.017815361064169474	0.0007521334975275947	0.0011161400882509546
+2,2',3,5,5',6-Hexachlorobiphenyl	0.0002685233487614992	0.0	0.007773838024782292	0.0019135956780777293	0.0008510710635586175	0.01131232714042078	0.008976975975502649	0.0	0.0025541461356808144	0.00010514439658501462	0.012199293834130797	7.509383054336537e-05	0.001036860939058323	0.002379602220297691	0.0009527346249442685	0.0	0.00014761934891162657	0.0	9.969281356321043e-05	0.01601322005298382	0.0005593661431457789	0.0011681368260544791	0.003838956367420997	0.006229971726606995	0.005573647488398873	0.1699145370030216	0.0	0.002424916435608999	0.007671758662415581	1.2212492394374595e-05	0.00026312100234904316	0.002809833589515567	0.0003523958263150335	0.0031786519250751335	0.0	0.004257338220887769	0.0004298536005131549	0.001106368249197547	0.0001588172989123238	0.0003475268871164312	0.0	0.004298169282669729	0.00013541450684800577	0.004193095188791879	0.00035038635939219786	0.0	0.0	0.001155999218468536	0.0009422111947368408	0.007511961323598	0.0003336536813388542	0.00019051429659526026	0.00024929384581334394	0.01486588677587804	0.0021429886595866724	0.013286516422206377	0.013694747289172223	0.005676458688613996	0.003387690189385122	0.013018061711743514	0.0010004784496205124	0.00037409456003935777	0.001162545144893561	0.0038699661164529396	0.00019023382575393544	0.005613341314206847	0.005399734542983021	0.0023965360439069734	0.0011927766955901413	0.002222797799732311	0.0	0.0009778043630659266	0.004579789179684861	0.012746406962029232	8.049507130617789e-05	0.00022264674930901879	0.00012260127225745363	0.0	0.0	0.0	0.0	9.928600066493501e-05	0.0003903632143182531	0.004443883852104785	3.709482114107522e-05	0.004477698394711207	0.019791260240106568	0.0	0.00729305243208569	0.0017587585919101108	0.006840112064315431	0.0	0.002984981188461201	0.0	0.0	0.0022647788293115624	0.0	0.009195631971544818	0.002728819882827435	0.0024546309052084804	0.001214081188273969	0.0034381278178293893	0.0007783808667270955	0.0	0.007975045109064138	0.0	0.0	0.006767903929903181	0.009891251573553382	0.003445753510049963	0.011182998595271347	0.0	0.0	0.0	0.0	0.0	0.004738435669938369	0.013137942976906207	0.012384645622105409	0.0007377394166604714	0.0026737540635545128	0.0	0.020784324233216238	0.002599237922015232	0.011472717004929777	0.0	0.007666127863970238	0.012188256809429325	0.010539935872117028	0.0003332905382013779	0.018326321132690428	0.004878018833787641	0.01463419354792913	0.0034208957413991593	0.01668932669183214	0.015565106825874392	0.0087390753947767	0.005704136051942925
+2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	9.822600837964141e-05	6.363772959520027e-05	0.005840732884446562	0.00033422611121833627	0.00046212762302203593	0.0019343170150222348	0.007774233785662565	0.0	0.0004914799905104578	0.0	0.0019335499002460373	1.400230252592277e-05	0.0010327804450701835	0.005192028585461327	0.0005536132739673507	0.00011941299093376949	0.00010769366513099434	0.0	0.00013373493101632037	0.0004940761362344699	0.0001023908803385212	0.0002046493638798986	0.0	0.0006208233650987347	0.0012193551062097499	0.0	0.0005589149175871431	0.0035097878468226085	0.00012193289531062426	1.9985121854453302e-05	0.00011897918067740754	5.802025492650051e-05	0.0014522743965830582	0.002405854289165719	0.0006924922481369931	0.001756317535489133	0.000469457857697693	0.0015128293535878873	0.0008414159511131778	1.3728905820535995e-05	0.0	0.0020190397451977996	0.0001270110821946357	0.019466949625879408	0.0	0.0	0.0014067515692757506	0.0025646148332410463	0.0004078711824180636	0.008416975715102646	4.8785090022707606e-05	0.0	0.0	0.0009212336635411666	0.0007216133819564505	0.017215722404510386	0.015337449591559568	0.0007711990724351146	0.003351458648169689	0.009892953393709979	0.0	0.0007501463281803295	0.0006437471357994773	0.0041681155472206395	0.00010017894830695818	0.003352772885358972	0.0005235453013589859	0.0005015570371398866	0.0	0.0020242669709453743	0.0	0.0	0.003317396711856479	0.011385478142709233	6.096352107162476e-05	0.00031578323840830854	8.275000212764618e-05	0.0	0.0	0.0	0.0003009826290914632	0.0002220102284968339	0.00035549763523774996	0.0	0.0	0.0005550516391480276	0.006349645635912536	0.0	0.0005469003010546243	0.0035705396497798334	0.001048927695169162	0.0	0.003855212225445087	0.0	0.0	0.0	0.0	0.0014712164379717643	0.0019131768608915771	0.0006925117426311383	0.0010673166514301488	0.018561780529454387	0.00025439168321704384	3.8672336729973174e-05	0.02289112980798719	0.0	0.0009333154636889157	0.0010382217080637192	0.004805897985315389	0.0	0.005817753003003116	0.0	0.0	0.0	0.0014267187310963755	8.236362155163282e-05	0.0008909868481893401	0.014205813113293322	0.0155838900272567	0.0	0.001049677482146037	0.0010466828047926017	0.00037753401014930236	0.006166259230601446	0.006919366890006758	0.0	0.007671176222095613	0.003928786923260977	0.0012637808861192708	0.0006567906115741127	0.029073248546896496	0.004767548408469456	0.010023927866592156	0.005856856141064293	0.005562919847599208	0.007085880910863699	0.001979119839132684	0.0011545597873301736
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+2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	6.891527879576192e-05	7.386365790742332e-05	0.007099970871140095	0.0023019924499593646	0.006558705759202311	0.004353969106149857	0.009442216907225852	0.0	0.0029303535909312576	7.6462846337401e-05	0.003893841026122371	1.759185832049041e-05	0.0003138836311230594	0.0025210364202609818	0.00294589997088985	8.054924078277214e-05	9.266973611787247e-05	0.0	9.29784435197956e-05	0.0005333500741926367	0.00017203884866209208	0.0014948154861107827	0.0	0.0009065370299325583	0.004390432283864611	0.0	0.0011445395859663876	0.004750157934139144	0.004861621945989838	1.5017574919387891e-05	8.219347257660708e-05	0.001990899799061608	0.00034836491690342996	0.001792563642936688	0.0	0.002362677412767647	0.000695104135714653	0.0033566816579457	0.003067287537986136	5.735171709563771e-05	0.0	0.001364833696647342	0.00018640011016108357	0.015703084644527746	0.0	0.0	0.0032588427747436643	0.0007727553477011273	0.0010427309370146264	0.032525159750237016	0.00011235795886768613	6.855490875907862e-05	0.00032373740651366306	0.009717901432019132	0.0012753360083013906	0.018735091576078448	0.014505660229575784	0.0007251252097416993	0.0031003469479041596	0.009832582596351717	0.00011685838792381801	0.0006058210855688083	0.0016337974157619086	0.008243727806017617	4.629832061244074e-06	0.006027852835760409	0.0008495389759434992	0.0011551464786173663	0.0003305004332462145	0.003284708477125685	0.0	0.0	0.002333305480105995	0.0385428713249004	0.0003279009111809311	0.00023528505228628623	9.071952522052835e-05	0.002104681250867116	0.0	0.0	0.00024569126736227894	0.00022553476969401577	0.0005768538008196761	0.0022110503730976673	0.0	0.0007505440623142073	0.013630380151955673	0.0	0.004629957969451559	0.01009878557185771	0.002218497478668306	0.0	0.0035488576713414897	0.0	0.0	0.0	0.0	0.001558979421137255	0.0031044463716544297	0.0009079171483414917	0.0007115919339895445	0.017034347416564614	0.0006108637643373481	9.997635622052216e-05	0.012653640552205454	0.00582560788166402	0.0	0.002126058558283683	0.004403737886336041	0.0010801514660696032	0.009039335511543558	0.0	0.0	0.0	0.0016125507046157678	6.723319091421191e-05	0.0012399749720915455	0.015106949513140764	0.010171076703509528	0.000671179148579029	0.0013568124138912988	0.0	0.0005139856383727736	0.005427024344990927	0.022151525264371245	0.0	0.008134201763420917	0.008227654328949882	0.0	0.0022053833164507953	0.015371895531089686	0.007055242835798304	0.04229473047579426	0.007142177981691495	0.008203369674622592	0.02113361337227987	0.0011511154412993166	0.0011921827647033837
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