Mercurial > repos > recetox > matchms

comparison test-data/formatter/test2_topk_formatting.tsv @ 4:ba5e9bd05d5b draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
author recetox
date Tue, 18 Oct 2022 11:00:55 +0000
parents 30e680e555d4
children
comparison
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3:9f8532c99845 4:ba5e9bd05d5b
1 query reference matches score 1 query reference matches score
2 C001 Chlorpyrifos 7 0.2439698460078672 2 C001 Sulfentrazone 18 0.5628769859493975
3 C001 trans-Chlordane 10 0.1709889053423956 3 C001 Dimethomorph 13 0.21123947571230445
4 C001 cis-Chlordane 10 0.16934374734008048 4 C001 Fenpropimorph 3 0.1724402539509388
5 C002 Carfentrazone-ethyl 1 0.023438813553203555 5 C002 Fuberidazole 10 0.42228986210263
6 C002 2,2',3,3',4,5',6,6'-Octachlorobiphenyl 2 0.012935401162453864 6 C002 Triflumuron 6 0.18301808160264693
7 C002 Pyridaben 4 0.011168624908917228 7 C002 Metribuzin 34 0.15483736628225514
8 C003 Perylene_2H12 2 0.0005256270959446041 8 C003 Dinotefuran 7 0.36371270405069533
9 C003 Metalaxyl 1 1.7567415612900304e-06 9 C003 Forchlorfenuron 6 0.2900844630219365
10 C003 Perylene 0 0.0 10 C003 Fuberidazole 9 0.2402739206276594
11 C004 17-alpha-Ethynylestradiol 2 0.002716713573623163 11 C004 Boscalid 14 0.21701029457716275
12 C004 Coronene 1 0.0009680981940665212 12 C004 Chloroxuron 11 0.15146088555482382
13 C004 Progesterone 2 0.0007924296222333303 13 C004 Fenarimol 15 0.1512102787330488
14 C005 Tetraconazole 3 0.12154746411094572 14 C005 Dinotefuran 4 0.48748010990419266
15 C005 Sulfentrazone 1 0.05393598836706972 15 C005 Forchlorfenuron 3 0.4718886768467089
16 C005 Indoxacarb 1 0.0441412960627566 16 C005 Triadimefon 11 0.25350626006111326
17 C006 Tris(4-tert-butylphenyl) phosphate 2 0.12426514943875827 17 C006 Propamocarb_1 1 0.04514131624669475
18 C006 Perylene_2H12 0 0.0 18 C006 Propamocarb_2 1 0.04513568618897746
19 C006 Perylene 0 0.0 19 C006 Thidiazuron 2 0.04361907635713056
20 C007 Benzo[b]naphtho[2,1-d]thiophene 3 0.4302304171927885 20 C007 Thiamethoxam 3 0.10069871056874392
21 C007 2-Chlorobiphenyl 2 0.30327152545734354 21 C007 Carfentrazone ethyl 21 0.058073633733907754
22 C007 Retene 3 0.16318259462298138 22 C007 Azoxystrobin 15 0.04162201690293011
23 C008 Spirotetramat 5 0.40641914075077024 23 C008 Nuarimol 19 0.24001108056690446
24 C008 Ethofumesate 4 0.17576877383827938 24 C008 Carfentrazone ethyl 16 0.20226312595456533
25 C008 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol 3 0.1419543758042326 25 C008 Mepanipyrim 24 0.14228820913983994
26 C009 Picoxystrobin 1 0.0006870380110630028 26 C009 Prometon_1 6 0.12091917830942694
27 C009 Tris(isopropylphenyl)phosphate 1 0.00023550942343171069 27 C009 Terbumeton_1 6 0.12091917830942694
28 C009 Tebufenpyrad 1 0.00017257075992195458 28 C009 Secbumeton_1 6 0.12091917830942694
29 C010 cis-Permethrin 1 0.008724226797557697 29 C010 Mefenacet 4 0.43004982863660707
30 C010 trans-Permethrin 1 0.008418860878033153 30 C010 Formetanate_2 5 0.29457761231941254
31 C010 cis-Phenothrin 1 0.005882714253167312 31 C010 Formetanate_1 5 0.2905090298183795
32 C011 Fuberidazole 1 0.2308319926807784 32 C011 Rotenone 16 0.120259993042822
33 C011 Prometryn 2 0.1773186209832549 33 C011 Fluoxastrobin 15 0.061285197294993043
34 C011 Benzoximate 1 0.07676637011355666 34 C011 Diniconazole 11 0.05699612472380787
35 C012 Chlorpyrifos 3 0.43976068904478827 35 C012 Mandipropamid 1 0.13126222394516718
36 C012 Terbufos 1 0.4006683041096004 36 C012 Rotenone 8 0.0903130722741197
37 C012 2,6-Dichloro-4-nitroaniline 1 0.20998341159494333 37 C012 Boscalid 2 0.0729005850693225
38 C013 Indoxacarb 5 0.4827488304818007 38 C013 Nuarimol 7 0.3025283295712756
39 C013 Temephos 2 0.32810153796559577 39 C013 Mepanipyrim 15 0.15526164028147613
40 C013 Nuarimol 2 0.2936210041931014 40 C013 Spirodiclofen 1 0.106955576332115
41 C014 Chlorferone 1 0.5119124308782732 41 C014 Fenarimol 8 0.32179033663818823
42 C014 Piperonyl butoxide 1 0.4857177881241794 42 C014 Diniconazole 15 0.15092951638007948
43 C014 2,6-Dichloro-4-nitroaniline 2 0.33898957004708385 43 C014 Triticonazole 11 0.14093053319713594
44 C015 Metazachlor 1 0.0011434403294572687 44 C015 Tebuthiuron 2 0.42543841896130863
45 C015 alpha-Amylcinnamyl alcohol 1 0.0005805859933790689 45 C015 Dimoxystrobin 4 0.42066129038267897
46 C015 Pendimethalin 1 0.0005015386924657569 46 C015 Fenoxycarb 1 0.39730936680367507
47 C016 Drometrizole 3 0.5535081364244014 47 C016 Metaflumizone 7 0.1623382878576429
48 C016 Acenaphthylene 2 0.540073031173669 48 C016 Tebufenpyrad 5 0.11500039861447153
49 C016 Atrazine 5 0.4399647084473271 49 C016 Oxadixyl 3 0.08380136073062606
50 C017 4-tert-Octylphenol 1 0.9088788152148044 50 C017 Diuron 1 0.40599269142482014
51 C017 Propargite_isomer2 1 0.8953233485170952 51 C017 Neburon 1 0.37730332574966885
52 C017 Propargite_isomer1 1 0.8942159049307404 52 C017 Metalaxyl 2 0.35998019446636254
53 C018 Tris(4-tert-butylphenyl) phosphate 1 0.189695375366971 53 C018 Imidacloprid 5 0.38696080636127844
54 C018 Perylene_2H12 0 0.0 54 C018 Diethofencarb 1 0.23518926887912128
55 C018 Perylene 0 0.0 55 C018 Cyprodinil 5 0.22889204773489977
56 C019 Triclosan 1 0.13434903881343435 56 C019 Dimethomorph 2 0.1531086374240407
57 C019 Terbufos 1 0.08080384965580391 57 C019 Methabenzthiazuron 2 0.12163052809382871
58 C019 Epoxiconazole 2 0.07313225916488224 58 C019 Difenoconazole 3 0.11921837741737686
59 C020 Tris(isopropylphenyl)phosphate 2 0.2520159660977677 59 C020 Metaflumizone 1 0.23108904445185505
60 C020 Amitraz 2 0.1245102870796828 60 C020 Pyraclostrobin 2 0.1156909160450248
61 C020 Metribuzin 1 0.05224979683560159 61 C020 Flufenacet 1 0.09961048597871851
62 C021 Tebuthiuron 2 0.9340205348244696 62 C021 Fluoxastrobin 14 0.19390172961614233
63 C021 1,5-Dimethylnaphthalene 1 0.6803608761410861 63 C021 Fenarimol 11 0.10371603681379983
64 C021 2,6-Dimethylnaphthalene 1 0.6264160291669295 64 C021 Diniconazole 6 0.08088792564439248
65 C022 2-Bromoallyl(2,4,6-tribromophenyl) ether 1 0.11311229152083695 65 C022 Tebuthiuron 5 0.5445755137228012
66 C022 2,3,4,5,6-Pentabromobenzyl alcohol 2 0.07003350703850979 66 C022 Spiroxamine_2 1 0.5411902751987046
67 C022 Allyl 2,4,6-tribromophenyl ether 1 0.06571493640420596 67 C022 Spiroxamine_1 1 0.5316646078580738
68 C023 Phenanthrene_2H10 1 0.7408591267092633 68 C023 Imidacloprid 3 0.14836980800858451
69 C023 2-Chlorobiphenyl 1 0.6159214014775711 69 C023 Mandipropamid 1 0.11566173860759153
70 C023 Butylated hydroxytoluene 3 0.4899347755610658 70 C023 3-Hydroxycarbofuran 1 0.11552221933479846
71 C024 Mepronil 2 0.18000248105004787 71 C024 Flonicamid 4 0.21759028714740403
72 C024 Spirotetramat 8 0.17523909122675907 72 C024 Imidacloprid 5 0.17807908901049269
73 C024 Estrone 7 0.17146514923780354 73 C024 Thiabendazole 1 0.11784109029164849
74 C025 Tris(4-tert-butylphenyl) phosphate 2 0.2957673370199089 74 C025 Fuberidazole 6 0.52564792144262
75 C025 Perylene_2H12 0 0.0 75 C025 Thiamethoxam 2 0.43521398714077664
76 C025 Perylene 0 0.0 76 C025 Dinotefuran 5 0.2544714861099532
77 C026 Isodecyl diphenyl phosphate 2 0.4122773057565717 77 C026 Acibenzolar-S-methyl 1 0.27294451049290036
78 C026 Dicofol 1 0.32235849897575225 78 C026 Ethofumesate 2 0.243921969041657
79 C026 Tris(isopropylphenyl)phosphate 2 0.18207675907106227 79 C026 Tricyclazole 1 0.21870788794062254
80 C027 Fenobucarb 1 0.058048257187677615 80 C027 Aminocarb_2 1 0.14452637381616495
81 C027 Isoprocarb 1 0.056638368345330564 81 C027 Aminocarb_1 1 0.14452459002891235
82 C027 Dioxacarb 1 0.041723437047250914 82 C027 Pyriproxyfen 1 0.143443143210623
83 C028 Phosmet 1 0.7848313885767587 83 C028 Nuarimol 7 0.09525157976370839
84 C028 Alachlor 1 0.5400260886224933 84 C028 Hydramethylnon 7 0.07386760517124663
85 C028 Butafenacil 2 0.5287006460619553 85 C028 Mevinphos 2 0.05351024774800468
86 C029 Metolachlor 3 0.8624580271763471 86 C029 Tebuthiuron 4 0.7578160314442438
87 C029 Safrole 2 0.591167446764124 87 C029 Dimoxystrobin 4 0.7523284529176055
88 C029 Amitraz 2 0.4100617029164697 88 C029 Fenoxycarb 2 0.7362883237809213
89 C030 Ethofumesate 2 0.1283368182166788 89 C030 Fluoxastrobin 5 0.024671788239558207
90 C030 Iprovalicarb isomer 1 1 0.1278518291141877 90 C030 Azoxystrobin 3 0.00805772872563839
91 C030 Acephate 4 0.12723099231343524 91 C030 Imazalil 1 0.006118222556281094
92 C031 Progesterone 1 1.6426994248357488e-05 92 C031 Thiabendazole 3 0.32542772940407816
93 C031 17-beta-Estradiol 1 8.491318225734283e-06 93 C031 Indoxacarb 3 0.11181300878614284
94 C031 2,2',3,3',4,5',6,6'-Octachlorobiphenyl 1 5.164951992800528e-06 94 C031 Fenpyroximate 11 0.09496750784008315
95 C032 Perylene_2H12 0 0.0 95 C032 Chloroxuron 3 0.23099832140782792
96 C032 Perylene 0 0.0 96 C032 Metaflumizone 4 0.15811807538527828
97 C032 Phenanthrene_2H10 0 0.0 97 C032 Clothianidin 3 0.15597953103591186
98 C033 Oxadixyl 3 0.20330295530386605 98 C033 Triflumizole 1 0.12293170145864117
99 C033 Aminocarb 2 0.19494213484153544 99 C033 Fenoxycarb 1 0.03427456690960066
100 C033 Propham 4 0.16613167591921482 100 C033 Hydramethylnon 4 0.02714227769520051
101 C034 Pirimicarb 2 0.6282572820905313 101 C034 Tebufenpyrad 6 0.49374627461317955
102 C034 Carbaryl 3 0.4781026376526427 102 C034 Fenuron 4 0.4133963957082293
103 C034 Bifenthrin 3 0.3937324127463854 103 C034 Carbaryl 1 0.3632254452201241
104 C035 Isocarbophos 1 0.253114274939826 104 C035 Fenarimol 7 0.09384407157367812
105 C035 Tris(2-butoxyethyl) phosphate 1 0.08190774313427894 105 C035 Diniconazole 3 0.0769387737847929
106 C035 Fenhexamid 1 0.05085970884113621 106 C035 Furalaxyl 1 0.06844880759579586
107 C036 2,3,4,5,6-Pentabromobenzyl alcohol 4 0.18423443680035376 107 C036 Temephos 1 0.18474730701395245
108 C036 2,3,4,5,6-Pentabromotoluene 1 0.1350710579626696 108 C036 Boscalid 2 0.1555080166548933
109 C036 2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl 2 0.0796114917141898 109 C036 Difenoconazole 1 0.12573965018277433
110 C037 1-Methylphenanthrene 1 0.5459366395303993 110 C037 Spiroxamine_1 1 0.17748544814941167
111 C037 Rotenone 1 0.4570036381038024 111 C037 Spiroxamine_2 1 0.17459305075844642
112 C037 Tris(1,3-dichloro-2-propyl)phosphate 2 0.412163952235192 112 C037 Prometon_2 2 0.13300447820659206
113 C038 Boscalid 2 0.14075752965499524 113 C038 Temephos 3 0.4479813614745304
114 C038 Triclosan 1 0.08733871677757317 114 C038 Cyprodinil 11 0.38945132482337325
115 C038 Indoxacarb 3 0.08698367543114087 115 C038 Tebufenpyrad 1 0.3230268544205335
116 C039 4-Methoxybenzyl alcohol 1 0.03981836906328797 116 C039 Chloroxuron 5 0.7904224091921885
117 C039 Progesterone 2 0.03613897694723208 117 C039 Metaflumizone 4 0.20495514559344025
118 C039 Praziquantel 2 0.0352727221936598 118 C039 Indoxacarb 4 0.06499320980489846
119 C040 cis-Cypermethrin_isomer1 3 0.7514936043388737 119 C040 Nuarimol 7 0.3282707805775684
120 C040 lambda-Cyhalothrin 1 0.7233092401070119 120 C040 Hydramethylnon 8 0.2348918036086256
121 C040 Fenpropathrin 1 0.7211467981004154 121 C040 Dimoxystrobin 3 0.16614009139106203
122 C041 Perylene_2H12 0 0.0 122 C041 Tebuthiuron 3 0.8149016029858368
123 C041 Perylene 0 0.0 123 C041 Dimoxystrobin 5 0.8072997046898676
124 C041 Phenanthrene_2H10 0 0.0 124 C041 Fenoxycarb 1 0.7659786346098226
125 C042 Perylene_2H12 0 0.0 125 C042 Fuberidazole 2 0.5857766323253869
126 C042 Perylene 0 0.0 126 C042 Tebuthiuron 2 0.21955707467985677
127 C042 Phenanthrene_2H10 0 0.0 127 C042 Fenoxycarb 1 0.20659543701873473
128 C043 Carbofuran 3 0.5212598550187718 128 C043 Boscalid 2 0.06825376275669572
129 C043 Carbofuran phenol 3 0.5173781620618291 129 C043 Pyrimethanil 3 0.057216918628908514
130 C043 Eugenol 3 0.2822612161029908 130 C043 Dicrotophos 1 0.03384456583647226
131 C044 Tris(isopropylphenyl)phosphate 3 0.012366572371392014 131 C045 Boscalid 3 0.1957440269836893
132 C044 Perylene_2H12 0 0.0 132 C045 Carfentrazone ethyl 12 0.18490605424898302
133 C044 Perylene 0 0.0 133 C045 Fipronil 8 0.15156444609388484
134 C045 Retene 2 0.37472668579836427 134 C046 Nuarimol 4 0.3305281148374125
135 C045 Etoxazole 2 0.2992332390137346 135 C046 Methiocarb 1 0.15050994460485362
136 C045 Picoxystrobin 1 0.12900223412955678 136 C046 Clothianidin 2 0.1485039064562506
137 C046 Perylene_2H12 0 0.0 137 C047 Methamidophos 2 0.13774763771211443
138 C046 Perylene 0 0.0 138 C047 Ethirimol 3 0.1034867151296582
139 C046 Phenanthrene_2H10 0 0.0 139 C047 Dicrotophos 1 0.09639598176270271
140 C047 Perylene_2H12 0 0.0 140 C048 Methoprotryne 1 0.15549799127470398
141 C047 Perylene 0 0.0 141 C048 Prometon_2 1 0.10192628653945639
142 C047 Phenanthrene_2H10 0 0.0 142 C048 Terbumeton_2 1 0.10192628653945639
143 C048 Perylene_2H12 0 0.0 143 C050 Propamocarb_1 1 0.995253153453804
144 C048 Perylene 0 0.0 144 C050 Propamocarb_2 1 0.9951290247583393
145 C048 Phenanthrene_2H10 0 0.0 145 C050 Thidiazuron 2 0.9615972463125247
146 C049 Perylene_2H12 0 0.0 146 C069 Metalaxyl 10 0.35854283629234446
147 C049 Perylene 0 0.0 147 C069 Diuron 1 0.29921097365528254
148 C049 Phenanthrene_2H10 0 0.0 148 C069 Neburon 2 0.2796612168022523
149 C050 Picoxystrobin 2 0.3476899781242624 149 C106 Ethiofencarb 1 0.09746429231898772
150 C050 Tris(isopropylphenyl)phosphate 3 0.11995167595915295 150 C106 Chlortoluron 1 0.05338627217152306
151 C050 Tebufenpyrad 2 0.08745999178934981 151 C106 Ethirimol 2 0.04411148813226952
152 C051 Perylene_2H12 0 0.0 152 C120 Tebufenpyrad 4 0.40579598696856434
153 C051 Perylene 0 0.0 153 C120 Fenamidone 2 0.206943065684131
154 C051 Phenanthrene_2H10 0 0.0 154 C120 Isoproturon 6 0.15000239728413484
155 C052 2,4',5-Trichlorobiphenyl 1 0.08935905370069537
156 C052 2,4,4'-Trichlorobiphenyl 1 0.08866441298661976
157 C052 2,4,6-Trichlorobiphenyl 1 0.08544380268109059
158 C053 Perylene_2H12 0 0.0
159 C053 Perylene 0 0.0
160 C053 Phenanthrene_2H10 0 0.0
161 C054 Transfluthrin 2 0.13361631824397593
162 C054 Furathiocarb 1 0.08671877819276054
163 C054 Cashmeran 1 0.06426615333868092
164 C055 Bendiocarb 1 0.6309098067559973
165 C055 Flufenacet 1 0.3672428373906641
166 C055 Benalaxyl 1 0.30099176302428066
167 C056 Bumetrizole 3 0.2310571211221721
168 C056 Nuarimol 3 0.0668892328802477
169 C056 4,4'-Dichlorodiphenyltrichloroethane 2 0.05363591603172288
170 C057 Epoxiconazole 1 0.2557235415238599
171 C057 4-Methoxybenzyl alcohol 1 0.22400850075479772
172 C057 Terbutylazine 1 0.15145436344404262
173 C058 Pyriproxyfen 1 0.9646591095006894
174 C058 Methabenzthiazuron 1 0.753392328415398
175 C058 Isocarbophos 1 0.7498262995321581
176 C059 trans-Cypermethrin_isomer2 3 0.23465718947694245
177 C059 Endrin ketone 2 0.17942583152569735
178 C059 Metazachlor 2 0.1785461486989555
179 C060 Perylene_2H12 0 0.0
180 C060 Perylene 0 0.0
181 C060 Phenanthrene_2H10 0 0.0
182 C061 Perylene_2H12 2 0.1457986453664692
183 C061 Metalaxyl 1 0.0006991971592894273
184 C061 Perylene 0 0.0
185 C062 17-beta-Estradiol 1 0.15783621850779087
186 C062 Spiromesifen 2 0.13030188230328554
187 C062 Progesterone 2 0.06835446607134321
188 C063 Perylene_2H12 0 0.0
189 C063 Perylene 0 0.0
190 C063 Phenanthrene_2H10 0 0.0
191 C064 Carfentrazone-ethyl 1 0.018943190348287533
192 C064 Etoxazole 1 0.01578012304582602
193 C064 Fenarimol 1 0.0036543976867372935
194 C065 7,12-Dimethylbenz[a]anthracene 1 0.17462314825429734
195 C065 Methoprotryne 1 0.1541290796409836
196 C065 Metolachlor 1 0.12033850422276846
197 C066 Perylene_2H12 0 0.0
198 C066 Perylene 0 0.0
199 C066 Phenanthrene_2H10 0 0.0
200 C067 Hexabromobenzene 2 0.010672289636345755
201 C067 Perylene_2H12 0 0.0
202 C067 Perylene 0 0.0
203 C068 Praziquantel 2 0.07958135980319712
204 C068 Etoxazole 2 0.02619650835001873
205 C068 Azoxystrobin 1 0.004663281915415839
206 C069 Butafenacil 1 0.18850830869714846
207 C069 Triphenyl phosphate 2 0.055216197560571764
208 C069 Azoxystrobin 3 0.03934912357968432
209 C070 Perylene_2H12 0 0.0
210 C070 Perylene 0 0.0
211 C070 Phenanthrene_2H10 0 0.0
212 C071 Etoxazole 3 0.05922738876187074
213 C071 Furathiocarb 1 0.05008802283663697
214 C071 Spirotetramat 3 0.04292074803284585
215 C072 Etoxazole 2 0.06835099807872327
216 C072 Bifenazate 1 0.045443092067712736
217 C072 Spirotetramat 1 0.0385534674496247
218 C073 Pyraclostrobin 2 0.9535041271837356
219 C073 Oxadixyl 4 0.7910256109540179
220 C073 Praziquantel 3 0.6840766738581763
221 C074 Fipronil 3 0.3044635926132772
222 C074 Ethiprole 3 0.2922055976674368
223 C074 Cyazofamid 1 0.06428948725728051
224 C075 Terbufos 1 0.5400938382277265
225 C075 Ethiofencarb 1 0.2523948105669581
226 C075 1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane 1 0.12971824728657946
227 C076 Flutolanil 1 0.8485967987285207
228 C076 Bromuconazole_isomer2 2 0.7127828451721377
229 C076 Bromuconazole_isomer1 2 0.6877025703463038
230 C077 Perylene_2H12 0 0.0
231 C077 Perylene 0 0.0
232 C077 Phenanthrene_2H10 0 0.0
233 C078 Bupirimate 1 0.13974657683168296
234 C078 Etoxazole 2 0.0169753161495105
235 C078 Progesterone 1 0.0038398141926578064
236 C079 Spirotetramat 2 0.1882344422583304
237 C079 Progesterone 2 0.16023981186600048
238 C079 Etoxazole 2 0.057812695018331514
239 C080 Diethofencarb 2 0.511845636769791
240 C080 Prometon 2 0.300031218332216
241 C080 2,2',3,3',4,5',6,6'-Octachlorobiphenyl 2 0.12064211458558788
242 C081 Estrone 1 0.11703644068228687
243 C081 Spirotetramat 3 0.07313605416641866
244 C081 Benzofluoranthene 1 0.05389100883827439
245 C082 Perylene_2H12 0 0.0
246 C082 Perylene 0 0.0
247 C082 Phenanthrene_2H10 0 0.0
248 C083 Ethofumesate 1 0.043480931832514336
249 C083 Benalaxyl 1 0.008158199350569542
250 C083 Tris(3,5-xylenyl)phosphate 1 0.004816230209514116
251 C084 Perylene_2H12 0 0.0
252 C084 Perylene 0 0.0
253 C084 Phenanthrene_2H10 0 0.0
254 C085 Perylene_2H12 0 0.0
255 C085 Perylene 0 0.0
256 C085 Phenanthrene_2H10 0 0.0
257 C086 Spirotetramat 1 0.08487887164972997
258 C086 Phantolide 1 0.07672750046561576
259 C086 Celestolide 1 0.0670424465060362
260 C087 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl 1 0.0023188635945688304
261 C087 Perylene_2H12 0 0.0
262 C087 Perylene 0 0.0
263 C088 Sulfentrazone 1 0.34010281957807026
264 C088 Ethiprole 2 0.07806706863464179
265 C088 Fipronil 1 0.05064949095675088
266 C089 Estrone 2 0.11242430338327276
267 C089 17-beta-Estradiol 2 0.11103518523395653
268 C089 17-alpha-Ethynylestradiol 2 0.07960933211421765
269 C090 Safrole 1 0.30173468935347697
270 C090 Buprofezin 1 0.26111202665989397
271 C090 1,4-Naphthoquinone 1 0.2374499719747145
272 C091 Acephate 1 0.3895204858101274
273 C091 4-Methoxybenzyl alcohol 2 0.3316368489450632
274 C091 Limonene 1 0.31504473007440903
275 C092 Triticonazole 3 0.16885819011116895
276 C092 cis-Cypermethrin_isomer1 2 0.09179449317000099
277 C092 cis-Cypermethrin_isomer2 2 0.08307720063117018
278 C093 Acenaphthene 1 0.3550344475361788
279 C093 Spirotetramat 2 0.35440311073510106
280 C093 Methiocarb 1 0.22669489487832103
281 C094 Azoxystrobin 2 0.0867021742419802
282 C094 Boscalid 2 0.04111792442550393
283 C094 Carfentrazone-ethyl 2 0.03748072093357795
284 C095 Triclosan 1 0.4569843475650367
285 C095 2,2',4,4',5,5'-Hexachlorobiphenyl 1 0.30890539007051365
286 C095 2,2',3,4,4',5'-Hexachlorobiphenyl 1 0.3001391366557777
287 C096 Chlorpyrifos oxon 2 0.4951348549387391
288 C096 Endosulfan 2 0.10681348861365984
289 C096 Chlorpyrifos 1 0.08773935144928954
290 C097 Triadimenol_isomer1 1 0.6530903778998592
291 C097 Triadimenol_isomer2 1 0.6220057644083183
292 C097 Boscalid 1 0.24681643339242704
293 C098 Tebufenpyrad 2 0.151238320380335
294 C098 Chlorpyrifos 1 0.10699966329717307
295 C098 Spirodiclofen 1 0.06417906482782681
296 C099 Testosterone 1 0.11646566920503162
297 C099 Butylated hydroxytoluene 1 0.04673587562152655
298 C099 17-alpha-Ethynylestradiol 1 0.037457533457306916
299 C100 Perylene_2H12 0 0.0
300 C100 Perylene 0 0.0
301 C100 Phenanthrene_2H10 0 0.0
302 C101 Perylene_2H12 0 0.0
303 C101 Perylene 0 0.0
304 C101 Phenanthrene_2H10 0 0.0
305 C102 Triticonazole 2 0.5336996347532538
306 C102 Carboxin 3 0.3659524855319685
307 C102 Paclobutrazol 1 0.2268834812634395
308 C103 Perylene_2H12 1 0.06707997408159612
309 C103 17-alpha-Ethynylestradiol 1 0.018682328889378926
310 C103 Progesterone 1 0.01295087988307018
311 C104 Estrone 1 0.004077028550281328
312 C104 Testosterone 1 0.0031342530947578136
313 C104 Spiromesifen 1 0.002757914839881182
314 C105 Pyridaben 1 0.006150557887796118
315 C105 Perylene_2H12 0 0.0
316 C105 Perylene 0 0.0
317 C106 Testosterone 1 0.15489171142643712
318 C106 Etoxazole 1 0.016352928684328513
319 C106 Spirotetramat 1 0.0062904645069006395
320 C107 Perylene_2H12 0 0.0
321 C107 Perylene 0 0.0
322 C107 Phenanthrene_2H10 0 0.0
323 C108 Spiromesifen 1 0.020951237553340774
324 C108 17-beta-Estradiol 1 0.013392022272573741
325 C108 Testosterone 1 0.013048242174815913
326 C109 Bumetrizole 1 0.0017496917647964528
327 C109 cis-Cypermethrin_isomer2 1 0.0013562725531987426
328 C109 Perylene_2H12 0 0.0
329 C110 Tris(isopropylphenyl)phosphate 1 0.014005356003130229
330 C110 Perylene_2H12 0 0.0
331 C110 Perylene 0 0.0
332 C111 Perylene_2H12 0 0.0
333 C111 Perylene 0 0.0
334 C111 Phenanthrene_2H10 0 0.0
335 C112 Acephate 1 0.003432198616120097
336 C112 2,3,4,5,6-Pentabromobenzyl alcohol 1 0.0010556194775620822
337 C112 Perylene_2H12 0 0.0
338 C113 Spirotetramat 1 0.09923582187652268
339 C113 Fenamidone 1 0.04349532389192298
340 C113 Tri-m-cresyl phosphate 1 0.03446113009328269
341 C114 2,2',3,5,5',6-Hexachlorobiphenyl 1 0.007142459164134815
342 C114 cis-Heptachlor epoxide 1 0.006496649197557233
343 C114 2,2',3,4,5,5'-Hexachlorobiphenyl 1 0.0064322479247378925
344 C115 7,12-Dimethylbenz[a]anthracene 1 0.33353495402905736
345 C115 Enzacamene 1 0.16429960277928815
346 C115 Spirodiclofen 1 0.09200841804501496
347 C116 Phantolide 1 0.6765447886087635
348 C116 Celestolide 1 0.5855305782559419
349 C116 Progesterone 2 0.27148697274385963
350 C117 Tefluthrin 1 0.2383451182372184
351 C117 Fenhexamid 1 0.13194163406015644
352 C117 Butylated hydroxytoluene 1 0.07956712732379319
353 C118 Perylene_2H12 0 0.0
354 C118 Perylene 0 0.0
355 C118 Phenanthrene_2H10 0 0.0
356 C119 Difenoconazole_isomer2 1 0.43317358996336186
357 C119 Difenoconazole_isomer1 1 0.3935774707401791
358 C119 Hydroxychrysene 1 0.20696032716784896
359 C120 1,4-Naphthoquinone 1 0.31792806800860685
360 C120 Praziquantel 1 0.3024801127581045
361 C120 alpha-Amylcinnamyl alcohol 1 0.2293394517123256
362 C121 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl 2 0.16503091278673038
363 C121 Octachlorodibenzo-p-dioxin 1 0.018991433893482
364 C121 Perylene_2H12 0 0.0
365 C122 Testosterone 2 0.13014922112429486
366 C122 Tris(4-tert-butylphenyl) phosphate 1 0.06438796272159912
367 C122 Metconazole 1 0.04286615974011067
368 C123 Indoxacarb 1 0.5045532698301611
369 C123 Myclobutanil 2 0.3553554295702141
370 C123 2,2',5-Trichlorobiphenyl 1 0.17187616901661615
371 C124 Pyridaben 1 0.7076048326997509
372 C124 Phantolide 1 0.6025849351431068
373 C124 Celestolide 1 0.521520395195447
374 C125 2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl 2 0.24826009298596555
375 C125 Endosulfan 1 0.2465672514103301
376 C125 2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl 1 0.23748098935395204
377 C126 Boscalid 2 0.7849854997021458
378 C126 Hydroxyfluoren-9-one 2 0.16146903540814592
379 C126 Epoxiconazole 2 0.11431527796038154
380 C127 Chlorpyrifos oxon 1 0.06370988970438786
381 C127 1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin 1 0.048343740279893965
382 C127 Chlorpyrifos 2 0.0473928411630094
383 C128 Spirotetramat 2 0.4099600979476956
384 C128 Etoxazole 2 0.03295371156467606
385 C128 Progesterone 1 0.005491138035803362
386 C129 Perylene_2H12 0 0.0
387 C129 Perylene 0 0.0
388 C129 Phenanthrene_2H10 0 0.0
389 C130 Diclobutrazol 1 0.12259983041141136
390 C130 Diniconazole 1 0.08810828784278397
391 C130 Chlorpyrifos oxon 1 0.07067495979790965
392 C131 Boscalid 2 0.4723517552315655
393 C131 Eucalyptol 1 0.19453052989021216
394 C131 beta-Hexachlorocyclohexane 1 0.12103059672461725
395 C132 Prometryn 1 0.4995639250817017
396 C132 7,12-Dimethylbenz[a]anthracene 1 0.465485129235019
397 C132 Terbutryn 1 0.12610906960127524
398 C133 Dimethachlor 2 0.9046302361414544
399 C133 Iprovalicarb isomer 2 2 0.6209087338629522
400 C133 Iprovalicarb isomer 1 2 0.61567879697979
401 C134 Coumarin 1 0.7242097228435042
402 C134 Tris(isopropylphenyl)phosphate 1 0.491895103368642
403 C134 Spiroxamine_isomer1 1 0.31211135864989265
404 C135 Coumarin 1 0.17743527097036982
405 C135 Monolinuron 1 0.14421645838849775
406 C135 Metobromuron 1 0.10115722181602198
407 C136 Pyracarbolid 1 0.8115583661696311
408 C136 Metconazole 1 0.6457097667608181
409 C136 trans-Fenvalerate 1 0.6398503673797634
410 C137 Perylene_2H12 0 0.0
411 C137 Perylene 0 0.0
412 C137 Phenanthrene_2H10 0 0.0
413 C138 Perylene_2H12 0 0.0
414 C138 Perylene 0 0.0
415 C138 Phenanthrene_2H10 0 0.0
416 C139 Perylene_2H12 0 0.0
417 C139 Perylene 0 0.0
418 C139 Phenanthrene_2H10 0 0.0
419 C140 Rotenone 1 0.0015990284859575886
420 C140 Perylene_2H12 0 0.0
421 C140 Perylene 0 0.0
422 C141 Tebufenpyrad 2 0.2938100129854653
423 C141 Tris(isopropylphenyl)phosphate 2 0.020202034111700597
424 C141 Ipconazole 1 0.017041584156450424
425 C142 Perylene_2H12 0 0.0
426 C142 Perylene 0 0.0
427 C142 Phenanthrene_2H10 0 0.0
428 C143 Dimethomorph_isomer2 1 0.16685279162562694
429 C143 Dimethomorph _isomer1 1 0.16482807037456434
430 C143 2,3,4,5,6-Pentabromotoluene 1 0.032682863992618404
431 C144 Etoxazole 2 0.1027909809180103
432 C144 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol 2 0.04732776045289416
433 C144 Azoxystrobin 2 0.035630773587232864
434 C145 Perylene_2H12 0 0.0
435 C145 Perylene 0 0.0
436 C145 Phenanthrene_2H10 0 0.0
437 C146 Propargite_isomer1 1 0.0633083562823998
438 C146 Propargite_isomer2 1 0.05654738208679003
439 C146 2,2',3,3',4,5',6,6'-Octachlorobiphenyl 1 0.035712333462604294
440 C147 2,2',3,4,4',5',6-Heptabromodiphenyl ether 1 0.03047378825096018
441 C147 Chlorferone 1 0.01855122445019196
442 C147 Progesterone 2 0.007867919703105094
443 C148 Buprofezin 1 0.01875857752389424
444 C148 Perylene_2H12 0 0.0
445 C148 Perylene 0 0.0
446 C149 Metalaxyl 2 0.29742589743178666
447 C149 1,4-Naphthoquinone 1 0.2740480911849054
448 C149 Praziquantel 1 0.260732240603901
449 C150 trans-Prallethrin 1 0.00633664692361121
450 C150 Perylene_2H12 0 0.0
451 C150 Perylene 0 0.0
452 C151 Spirotetramat 1 0.011452966094891676
453 C151 Perylene_2H12 0 0.0
454 C151 Perylene 0 0.0
455 C152 Tris(3,5-xylenyl)phosphate 1 0.05756111981021594
456 C152 Tris(isopropylphenyl)phosphate 1 0.0449470954588726
457 C152 Perylene_2H12 0 0.0
458 C153 Ethiofencarb 1 0.8284613374855048
459 C153 1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane 1 0.4257874890609336
460 C153 Isomethyl-alpha-ionone 1 0.36103138237616267
461 C154 7,12-Dimethylbenz[a]anthracene 1 0.29226381053937395
462 C154 Enzacamene 1 0.14396940230197552
463 C154 Triflumizole 1 0.10858411907186044
464 C155 Perylene_2H12 0 0.0
465 C155 Perylene 0 0.0
466 C155 Phenanthrene_2H10 0 0.0
467 C156 7,12-Dimethylbenz[a]anthracene 1 0.08248293081186396
468 C156 Methoprotryne 1 0.0432082364937662
469 C156 Progesterone 1 0.02316539180928352
470 C157 Perylene_2H12 0 0.0
471 C157 Perylene 0 0.0
472 C157 Phenanthrene_2H10 0 0.0
473 C158 Tris(4-tert-butylphenyl) phosphate 1 0.012341356867974116
474 C158 Perylene_2H12 0 0.0
475 C158 Perylene 0 0.0
476 C159 Trifluralin 1 0.1883562158254524
477 C159 Fenpropathrin 1 0.015975881134824614
478 C159 Ethiprole 1 0.007596489095240584
479 C160 Bumetrizole 1 0.04337092323628775
480 C160 trans-Cypermethrin_isomer2 1 0.030241071137562938
481 C160 Perylene_2H12 1 0.029465908012253836
482 C161 Perylene_2H12 0 0.0
483 C161 Perylene 0 0.0
484 C161 Phenanthrene_2H10 0 0.0
485 C162 Perylene_2H12 0 0.0
486 C162 Perylene 0 0.0
487 C162 Phenanthrene_2H10 0 0.0
488 C163 Perylene_2H12 0 0.0
489 C163 Perylene 0 0.0
490 C163 Phenanthrene_2H10 0 0.0
491 C164 7,12-Dimethylbenz[a]anthracene 1 0.2284760273276565
492 C164 Enzacamene 1 0.112547485896346
493 C164 Fenamidone 1 0.0486288864876461
494 C165 Boscalid 1 0.08498662209290331
495 C165 Buprofezin 1 0.08205704595848827
496 C165 Ipconazole 1 0.08152620214218925
497 C166 Tris(2-butoxyethyl) phosphate 1 0.008342150525801997
498 C166 Rotenone 1 0.0015006556689027325
499 C166 Perylene_2H12 0 0.0
500 C167 Perylene_2H12 0 0.0
501 C167 Perylene 0 0.0
502 C167 Phenanthrene_2H10 0 0.0
503 C168 Perylene_2H12 0 0.0
504 C168 Perylene 0 0.0
505 C168 Phenanthrene_2H10 0 0.0
506 C169 Perylene_2H12 0 0.0
507 C169 Perylene 0 0.0
508 C169 Phenanthrene_2H10 0 0.0
509 C170 Perylene_2H12 0 0.0
510 C170 Perylene 0 0.0
511 C170 Phenanthrene_2H10 0 0.0
512 C171 2,4-D butyl ester 1 0.6610587362108564
513 C171 Terbutryn 1 0.6012657870951452
514 C171 Estrone 2 0.31623371975319553
515 C172 Perylene_2H12 1 0.06765194944236241
516 C172 17-alpha-Ethynylestradiol 1 0.01884162876915315
517 C172 Progesterone 1 0.01306130902820296
518 C173 Spiromesifen 1 0.016586079079264453
519 C173 Rotenone 1 0.0025109428261963678
520 C173 Perylene_2H12 0 0.0
521 C174 Perylene_2H12 0 0.0
522 C174 Perylene 0 0.0
523 C174 Phenanthrene_2H10 0 0.0