diff test-data/formatter/test2_topk_formatting.tsv @ 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 ba5e9bd05d5b
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--- /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
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+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