Mercurial > repos > tduigou > rrparser

changeset 8:d72f31975a06 draft

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planemo upload for repository https://github.com/brsynth/rrparser commit fbd6dda00a593fe34e82585ad32cf99ce6a989c9
author tduigou
date Tue, 01 Apr 2025 12:40:26 +0000
parents de7b4c226b02
children eb8ee05a9b52
files rrparser.xml test-data/scores.csv test-data/test.6.output.csv
diffstat 3 files changed, 56 insertions(+), 3 deletions(-) [+]
line wrap: on
line diff
--- a/rrparser.xml	Mon Mar 17 14:56:07 2025 +0000
+++ b/rrparser.xml	Tue Apr 01 12:40:26 2025 +0000
@@ -2,7 +2,7 @@
     <description>Retrieve the reaction rules from RetroRules</description>
     <macros>
         <token name="@VERSION_SUFFIX@">0</token>
-        <token name="@TOOL_VERSION@">2.6.0</token>
+        <token name="@TOOL_VERSION@">2.7.0</token>
     </macros>
     <requirements>
         <requirement type="package" version="@TOOL_VERSION@">rrparser</requirement>
@@ -35,6 +35,9 @@
         #if str($input_conditional_ec.input_type) == "out"
             --ecx '$input_conditional_ec.input_ec_out'
         #end if
+        #if $input_scores_file
+            --scores '$input_scores_file'
+        #end if
     ]]></command>
     <inputs>
         <conditional name="rules">
@@ -66,6 +69,7 @@
             <option selected="true" value="16">16</option>
         </param>
         <param name="compress" type="boolean" checked="false" label="Compress output" />
+        <param name="input_scores_file" type="data" format="csv" optional="True" label="Score File" help="Filename containing rules names and scores"/>
         <conditional name="input_conditional_ec">
             <param name="input_type" type="select" label="Filter based on EC number">
                 <option value="no" selected="True">No</option>
@@ -119,7 +123,7 @@
             <output name="out_rules" file="test.4.output.csv" ftype="csv" compare="diff"/>
         </test>
         <test>
-        <!-- test 5 -->
+            <!-- python -m rrparser -rules_file rules_in.csv -input-format csv -ecx ec.csv -diameters 2,4,6,8,10,12,14,16 -output-format csv -outfile test.5.output.csv -->
             <conditional name="rules">
                 <param name="type" value="rules-file"/>
                 <param name="file" value="rules_in.csv" />
@@ -130,7 +134,19 @@
             </conditional>
             <output name="out_rules" file="test.5.output.csv" ftype="csv" compare="diff"/>
         </test>
-
+        <test>
+            <!-- python -m rrparser -rules_file rules_in.csv -input-format csv -ec ec.csv -diameters 2,4,6,8,10,12,14,16 -output-format csv -outfile test.6.output.csv -scores scores.csv -->
+            <conditional name="rules">
+                <param name="type" value="rules-file"/>
+                <param name="file" value="rules_in.csv" />
+            </conditional>
+            <conditional name="input_conditional_ec">
+                <param name="input_type" value="in"/>
+                <param name="input_ec_in" value="ec.csv"/>
+            </conditional>
+            <param name="input_scores_file" value="scores.csv" />
+            <output name="out_rules" file="test.6.output.csv" ftype="csv" compare="diff"/>
+        </test>
     </tests>
     <help><![CDATA[
 RRulesParser
@@ -148,6 +164,7 @@
 * **input_format**: (string) input file format (csv: default, tsv)
 * **diameters**: (integer list) diameter of the sphere including the atoms around the reacting center (default is including all values: 2,4,6,8,10,12,14,16). The higher is the diameter, the more specific are the rules
 * **EC numbers to filter**: retain or remove some EC numbers. A file is expected containing EC numbers separated by a comma on the first line.
+* **Scores file**: file containing rules names and scores
 
 Ouput
 -----
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/scores.csv	Tue Apr 01 12:40:26 2025 +0000
@@ -0,0 +1,4 @@
+Rule ID,Score
+RR-02-2860703b5bba4808-02-F,0
+RR-02-5594c358cc56f547-02-F,4.2
+foo,1
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/test.6.output.csv	Tue Apr 01 12:40:26 2025 +0000
@@ -0,0 +1,32 @@
+Rule ID,Rule,EC number,Reaction order,Diameter,Score,Legacy ID,Reaction direction,Rule relative direction,Rule usage,Score normalized
+RR-02-fbdda75e23f518b6-02-F,([#6&v4:1](=[#8&v2:2])(-[#6&v4:3](-[#6&v4:4])(-[#1&v1:5])-[#1&v1:6])-[#1&v1:7])>>([#6&v4:1](-[#8&v2:2]-[#1&v1:6])(-[#6&v4:3](-[#6&v4:4])(-[#8&v2]-[#1&v1])-[#1&v1:5])(-[#1&v1:7])-[#1&v1]),NOEC,1,2,4.295611076923876,MNXR94682_MNXM821,0,0,both,0.10469674387190456
+RR-02-0250d458c4991a7d-02-F,([#6&v4:1](-[#8&v2:2]-[#1&v1:3])(-[#6&v4:4](-[#6&v4:5])(-[#8&v2:6]-[#1&v1:7])-[#1&v1:8])(-[#1&v1:9])-[#1&v1:10])>>([#6&v4:1](=[#8&v2:2])(-[#6&v4:4](-[#6&v4:5])(-[#1&v1:8])-[#1&v1:3])-[#1&v1:9].[#8&v2:6](-[#1&v1:7])-[#1&v1:10]),NOEC,1,2,4.295611076923876,MNXR94682_MNXM90191,0,0,both,0.10469674387190456
+RR-02-2860703b5bba4808-02-F,([#8&v2:1](-[#8&v2:2]-[#6&v4:3])-[#1&v1:4])>>([#8&v2:1](-[#1&v1:4])-[#1&v1].[#8&v2:2](-[#6&v4:3])-[#1&v1]),NOEC,1,2,0.0,MNXR94690_MNXM2313,0,0,both,1.0
+RR-02-5594c358cc56f547-02-F,([#8&v2:1](-[#6&v4:2])-[#1&v1:3])>>([#1&+&v0:3].[#8&v2](-[#8&v2:1]-[#6&v4:2])-[#1&v1]),NOEC,1,2,4.2,MNXR94690_MNXM9689,0,0,both,1.0
+RR-02-40c5de14c04712c6-02-F,([#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#1&v1:4])>>([#6&v4:1]-[#6&v4:2](-[#8&v2:3]-[#1&v1])(-[#1&v1])-[#1&v1:4]),1.1.1.202,1,2,2.4517864355242898,MNXR94691_MNXM1526,0,0,both,0.17004370207003422
+RR-02-fcc8935f8e5c652c-02-F,([#6&v4:1]-[#6&v4:2](-[#8&v2:3]-[#1&v1:4])(-[#1&v1:5])-[#1&v1:6])>>([#1&+&v0:4].[#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#1&v1:6].[#6&v4]1(-[#1&v1]):[#7&v3]:[#6&v4]2:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:[#7&v3]:1-[#6&v4]1(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4]2(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]3-[#6&v4](-[#1&v1])=[#6&v4](-[#6&v4](=[#7&v3]-[#1&v1])-[#8&v2]-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1:5])-[#6&v4](-[#1&v1])=[#6&v4]-3-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-2(-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#8&v2]-1),1.1.1.202,1,2,2.133538908370217,MNXR94691_MNXM2861,0,0,both,0.19057431907203484
+RR-02-914837f186d0084a-02-F,([#6&v4:1]1(-[#1&v1:2])(-[#1&v1:3])-[#6&v4:4](-[#6&v4:5])(-[#1&v1:6])-[#7&v3:7]=[#6&v4:8](-[#6&v4:9])-[#6&v4:10](-[#1&v1:11])=[#6&v4:12]-1-[#1&v1:13])>>([#1&+&v0:3].[#6&v4:1]1(-[#1&v1:2]):[#6&v4:4](-[#6&v4:5]):[#7&v3:7]:[#6&v4:8](-[#6&v4:9]):[#6&v4:10](-[#1&v1:11]):[#6&v4:12]:1-[#1&v1:13].[#7&v3](=[#6&v4](-[#8&v2]-[#1&v1])-[#6&v4]1=[#6&v4](-[#1&v1])-[#7&v3](-[#6&v4]2(-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4]3(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#7&v3]4:[#6&v4]5:[#6&v4](:[#7&v3]:[#6&v4]:4-[#1&v1]):[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:5)(-[#1&v1])-[#8&v2]-3)(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-2(-[#8&v2]-[#1&v1])-[#1&v1])-[#6&v4](-[#1&v1])=[#6&v4](-[#1&v1])-[#6&v4]-1(-[#1&v1])-[#1&v1:6])-[#1&v1]),NOEC,1,2,4.295611076923876,MNXR94742_MNXM163139,0,0,both,0.10469674387190456
+RR-02-77612ec728280d3e-02-F,([#6&v4:1]1(-[#1&v1:2]):[#6&v4:3](-[#6&v4:4]):[#7&v3:5]:[#6&v4:6](-[#6&v4:7]):[#6&v4:8](-[#1&v1:9]):[#6&v4:10]:1-[#1&v1:11])>>([#6&v4:1]1(-[#1&v1:2])(-[#1&v1])-[#6&v4:3](-[#6&v4:4])(-[#1&v1])-[#7&v3:5]=[#6&v4:6](-[#6&v4:7])-[#6&v4:8](-[#1&v1:9])=[#6&v4:10]-1-[#1&v1:11]),NOEC,1,2,4.295611076923876,MNXR94742_MNXM5133,0,0,both,0.10469674387190456
+RR-02-816e42d0572b2247-02-F,([#8&v2:1](-[#6&v4:2])-[#6&v4:3](=[#8&v2:4])-[#6&v4:5])>>([#8&v2](-[#6&v4:3](=[#8&v2:4])-[#6&v4:5])-[#1&v1].[#8&v2:1](-[#6&v4:2])-[#1&v1]),2.3.1.40,1,2,1.0,MNXR94760_MNXM32178,1,1,retro,0.33436669294558924
+RR-02-f35f06f7fc99a0f4-02-F,([#6&v4:1]-[#8&v2:2]-[#6&v4:3](=[#8&v2:4])-[#6&v4:5])>>([#6&v4:3](=[#8&v2:4])(-[#6&v4:5])-[#8&v2]-[#1&v1].[#6&v4:1]-[#8&v2:2]-[#1&v1]),2.3.1.40,1,2,0.6989700043360189,MNXR94762_MNXM31536,-1,-1,retro,0.41815468538290146
+RR-02-873f6f84bb9517bc-02-F,([#8&v2:1](-[#6&v4:2](=[#8&v2:3])-[#6&v4:4])-[#1&v1:5])>>([#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#6&v4](-[#6&v4](-[#6&v4](-[#8&v2]-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4](-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#6&v4](-[#8&v2]-[#6&v4:2](=[#8&v2:3])-[#6&v4:4])(-[#1&v1])-[#1&v1])-[#1&v1])=[#8&v2])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1].[#8&v2:1](-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1])-[#1&v1:5]),NOEC,1,2,1.0,MNXR94774_MNXM108,0,0,both,0.33436669294558924
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+RR-02-186c35d5e0e8b177-02-F,([#6&v4:1]-[#6&v4:2](-[#7&v3:3])=[#6&v4:4](-[#1&v1:5])-[#1&v1:6])>>([#16&v6](=[#8&v2])(=[#8&v2])(-[#8&v2]-[#1&v1])-[#6&v4:4](-[#6&v4:2](-[#6&v4:1])(-[#7&v3:3])-[#1&v1])(-[#1&v1:5])-[#1&v1:6]),NOEC,1,2,4.295611076923876,MNXR94779_MNXM3414,0,0,both,0.10469674387190456
+RR-02-ac3fbb034cd51e90-02-F,([#16&v6:1](=[#8&v2:2])(=[#8&v2:3])(-[#8&v2:4])-[#6&v4:5](-[#6&v4:6](-[#6&v4:7])(-[#7&v3:8])-[#1&v1:9])(-[#1&v1:10])-[#1&v1:11])>>([#1&+&v0:9].[#6&v4:7]-[#6&v4:6](-[#7&v3:8])=[#6&v4:5](-[#1&v1:10])-[#1&v1:11].[#8&v2](-[#6&v4]1(-[#1&v1])-[#6&v4](-[#7&v3]2:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]3:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:3)(-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#16&v6:1](=[#8&v2:2])(=[#8&v2:3])-[#8&v2:4])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#6&v4]-1(-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1])-[#1&v1])-[#1&v1]),NOEC,1,2,4.295611076923876,MNXR94779_MNXM713,0,0,both,0.10469674387190456
+RR-02-c3681aa8011dc014-02-F,([#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#6&v4:4])>>([#6&v4:1]-[#6&v4:2](-[#8&v2:3]-[#1&v1])(-[#6&v4:4])-[#1&v1]),NOEC,1,2,3.068556895072363,MNXR94783_MNXM582,0,0,both,0.14067341551302287
+RR-02-1364a3f2a297c78c-02-F,([#6&v4:1]-[#6&v4:2](-[#8&v2:3]-[#1&v1:4])(-[#6&v4:5])-[#1&v1:6])>>([#1&+&v0:4].[#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#6&v4:5].[#6&v4]1(-[#1&v1]):[#7&v3]:[#6&v4]2:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:[#7&v3]:1-[#6&v4]1(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4]2(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]3-[#6&v4](-[#1&v1])=[#6&v4](-[#6&v4](=[#7&v3]-[#1&v1])-[#8&v2]-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1:6])-[#6&v4](-[#1&v1])=[#6&v4]-3-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-2(-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#8&v2]-1),NOEC,1,2,2.8750612633917005,MNXR94783_MNXM341,0,0,both,0.14873280218232202
+RR-02-62cc105b2ac1e9c0-02-F,([#15&v5:1](=[#8&v2:2])(-[#8&v2:3])(-[#8&v2:4])-[#8&v2:5]-[#6&v4:6])>>([#7&v3](=[#6&v4]1:[#7&v3]:[#6&v4](-[#8&v2]-[#1&v1]):[#6&v4]2:[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3](-[#6&v4]3(-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#15&v5](-[#8&v2]-[#15&v5:1](=[#8&v2:2])(-[#8&v2:3])-[#8&v2:4])(=[#8&v2])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-3(-[#8&v2]-[#1&v1])-[#1&v1]):[#6&v4]:2:[#7&v3]:1-[#1&v1])-[#1&v1].[#8&v2:5](-[#6&v4:6])-[#1&v1]),NOEC,1,2,4.295611076923876,MNXR94829_MNXM2888,1,1,retro,0.10469674387190456
+RR-02-c279b93647bbe181-02-F,([#6&v4:1]-[#8&v2:2]-[#15&v5:3](=[#8&v2:4])(-[#8&v2:5])-[#8&v2:6])>>([#6&v4:1]-[#8&v2:2]-[#1&v1].[#8&v2](-[#6&v4]1:[#7&v3]:[#6&v4](=[#8&v2]):[#7&v3](-[#6&v4]2(-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#15&v5:3](=[#8&v2:4])(-[#8&v2:5])-[#8&v2:6])(-[#1&v1])-[#6&v4]-2(-[#8&v2]-[#1&v1])-[#1&v1]):[#6&v4](-[#1&v1]):[#6&v4]:1-[#1&v1])-[#1&v1]),NOEC,1,2,3.3047058982127653,MNXR94933_MNXM1170,0,0,both,0.13194749347100665
+RR-02-a7836cb07a9fb282-02-F,([#6&v4:1]-[#8&v2:2]-[#1&v1:3])>>([#6&v4:1]-[#8&v2:2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1].[#8&v2](-[#1&v1:3])-[#1&v1]),NOEC,1,2,3.3059958827708047,MNXR94933_MNXM288,0,0,both,0.13190279921589496
+RR-02-edfb6d53c4ae6843-02-F,([#6&v4:1]-[#8&v2:2]-[#15&v5:3](=[#8&v2:4])(-[#8&v2:5])-[#8&v2:6])>>([#6&v4:1]-[#8&v2:2]-[#1&v1].[#8&v2](-[#6&v4](=[#8&v2])-[#6&v4](-[#8&v2]-[#1&v1])(-[#6&v4](=[#8&v2])-[#6&v4](-[#8&v2]-[#1&v1])(-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5:3](=[#8&v2:4])(-[#8&v2:5])-[#8&v2:6])(-[#1&v1])-[#1&v1])(-[#8&v2]-[#1&v1])-[#1&v1])-[#1&v1])-[#1&v1])-[#1&v1]),NOEC,1,2,3.3047058982127653,MNXR94933_MNXM2184,0,0,both,0.13194749347100665
+RR-02-178dd86b0979d514-02-F,([#6&v4:1]-[#8&v2:2]-[#1&v1:3])>>([#6&v4](-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1:3])(-[#6&v4]1(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#7&v3]2:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]3:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:3)(-[#1&v1])-[#8&v2]-1)(-[#1&v1])-[#1&v1].[#6&v4:1]-[#8&v2:2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1]),NOEC,1,2,3.3047058982127653,MNXR94933_MNXM736,0,0,both,0.13194749347100665
+RR-02-661072f99fdfbbaf-02-F,([#8&v2:1](-[#8&v2:2]-[#1&v1:3])-[#1&v1:4])>>([#8&-&v1]-[#7&+&v4](-[#6&v4]1:[#6&v4](-[#8&v2]-[#1&v1]):[#6&v4](-[#1&v1]):[#6&v4](-[#1&v1]):[#6&v4](-[#6&v4](-[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1:3])(-[#1&v1])-[#1&v1]):[#6&v4]:1-[#1&v1])=[#8&v2].[#8&v2](-[#1&v1:4])-[#1&v1].[#8&v2:1]=[#8&v2:2]),NOEC,1,2,1.8061799739838869,MNXR94937_MNXM22,0,0,both,0.21759878190509843
+RR-02-585ce5656b8f31a2-02-F,([#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#1&v1:4])>>([#6&v4:1]-[#6&v4:2](-[#7&v3](-[#1&v1])-[#1&v1])(-[#1&v1:4])-[#1&v1].[#8&v2:3](-[#1&v1])-[#1&v1]),NOEC,1,2,1.8061799739838869,MNXR94937_MNXM97102,0,0,both,0.21759878190509843
+RR-02-0ccafd5c7a47401c-02-F,([#6&v4:1]-[#6&v4:2](-[#7&v3:3](-[#1&v1:4])-[#1&v1:5])(-[#1&v1:6])-[#1&v1:7])>>([#6&v4:1]-[#6&v4:2](=[#8&v2])-[#1&v1:6].[#7&v3:3](-[#1&v1:4])(-[#1&v1:5])-[#1&v1].[#8&v2](-[#8&v2]-[#1&v1:7])-[#1&v1]),NOEC,1,2,1.8061799739838869,MNXR94937_MNXM97190,0,0,both,0.21759878190509843
+RR-02-6d2fe140bdd4bb66-02-F,([#6&v4:1]:[#6&v4:2](-[#8&v2:3]-[#1&v1:4]):[#6&v4:5])>>([#6&v4:1]:[#6&v4:2](-[#1&v1:4]):[#6&v4:5].[#8&v2:3]=[#8&v2]),NOEC,1,2,2.24551266781415,MNXR94965_MNXM2783,0,0,both,0.18280846932054326
+RR-02-0e609023fbda6ee1-02-F,([#6&v4:1]:[#6&v4:2](-[#1&v1:3]):[#6&v4:4])>>([#6&v4:1]:[#6&v4:2](-[#8&v2]-[#1&v1:3]):[#6&v4:4]),NOEC,1,2,2.24551266781415,MNXR94965_MNXM3167,0,0,both,0.18280846932054326
+RR-02-18c81873156024c3-02-F,([#6&v4:1]-[#16&v4:2](=[#8&v2:3])-[#8&v2:4])>>([#6&v4:1]-[#16&v6:2](=[#8&v2:3])(-[#8&v2:4])=[#8&v2]),NOEC,1,2,4.295611076923876,MNXR94979_MNXM498,0,0,both,0.10469674387190456