Mercurial > repos > recetox > matchms_formatter
diff test-data/formatter/test2_topk_formatting.tsv @ 0:60f34912b3de draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
| author | recetox |
|---|---|
| date | Tue, 22 Mar 2022 16:08:45 +0000 |
| parents | |
| children | 966b4134ad12 |
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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 16:08:45 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