diff test-data/compound_fragments_result.txt @ 0:91a3242fd67f draft

"planemo upload commit c7676a9c7ac542043691d735285ae19e430bf032"
author workflow4metabolomics
date Mon, 25 Apr 2022 08:23:54 +0000
parents
children 856001213966
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/compound_fragments_result.txt	Mon Apr 25 08:23:54 2022 +0000
@@ -0,0 +1,1385 @@
+"compoundName"	"fileid"	"fragments_mz"	"CorWithPrecursor"	"AbsoluteIntensity"	"relativeIntensity"	"corValid"
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+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	123	-0.167860259307508	295.871994004	0.00250569650751035	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	126	0.907929868611774	430.137959956	0.00364277527394095	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	137	0.676403388268515	430.806630151	0.00364843814371653	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	146	-0.125051837812104	538.358772757	0.00455928145962519	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	148	0.1558553290912	143.310915941	0.00121367912083162	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	149	-0.276972713799663	617.416199707	0.00522880720932724	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	150	-0.410733329402461	5080.527405	0.0430262411887723	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	151	-0.243340932574313	218.539256565	0.00185077690023418	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	154	0.991757449276389	16836.882397703	0.14258908675458	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	164	0.146040591250743	1829.10214243	0.0154903976822645	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	180	0.39213526382476	209.753137589	0.00177636854770712	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	182	1	118079.7407496	1	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	84	0.601436519480403	406.383798606	0.00344160476662782	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	123	-0.167860259307508	295.871994004	0.00250569650751035	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	126	0.907929868611774	430.137959956	0.00364277527394095	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	137	0.676403388268515	430.806630151	0.00364843814371653	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	146	-0.125051837812104	538.358772757	0.00455928145962519	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	148	0.1558553290912	143.310915941	0.00121367912083162	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	149	-0.276972713799663	617.416199707	0.00522880720932724	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	150	-0.410733329402461	5080.527405	0.0430262411887723	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	151	-0.243340932574313	218.539256565	0.00185077690023418	FALSE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	154	0.991757449276389	16836.882397703	0.14258908675458	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	164	0.146040591250743	1829.10214243	0.0154903976822645	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	180	0.39213526382476	209.753137589	0.00177636854770712	TRUE
+"2-diethylamino-6-methyl pyrimidin-4-ol one"	"7"	182	1	118079.7407496	1	TRUE
+"5-hydroxy-thiabendazole"	"1"	132	0.710501933879621	105.532976149	6.84594522892331e-05	TRUE
+"5-hydroxy-thiabendazole"	"1"	144	0.276479394498518	203.085251814	0.00013174180824369	TRUE
+"5-hydroxy-thiabendazole"	"1"	146	0.604633971720309	166.134730821	0.000107771931516144	TRUE
+"5-hydroxy-thiabendazole"	"1"	156	0.191791879044897	459.381193152	0.000298001496998986	TRUE
+"5-hydroxy-thiabendazole"	"1"	158	-0.331971393756239	13878.1056368	0.00900275482959977	FALSE
+"5-hydroxy-thiabendazole"	"1"	160	0.77523958114776	386.949028017	0.000251014606889261	TRUE
+"5-hydroxy-thiabendazole"	"1"	162	-0.476769537229124	213.45186329	0.000138466649801652	FALSE
+"5-hydroxy-thiabendazole"	"1"	172	0.593280623618274	794.89456843	0.000515649693282338	TRUE
+"5-hydroxy-thiabendazole"	"1"	173	0.89953946593837	207.738348006	0.000134760281031794	TRUE
+"5-hydroxy-thiabendazole"	"1"	174	0.150820546879602	1525.52666664	0.000989612193854381	TRUE
+"5-hydroxy-thiabendazole"	"1"	175	0.646696639290413	163.18886233	0.000105860940745588	TRUE
+"5-hydroxy-thiabendazole"	"1"	176	0.506660895270366	1125.51529793	0.000730124020482966	TRUE
+"5-hydroxy-thiabendazole"	"1"	177	-0.349150043770229	185.412219041	0.000120277276605531	FALSE
+"5-hydroxy-thiabendazole"	"1"	186	-0.386785516946622	13148.1585083	0.00852923667024592	FALSE
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+"5-hydroxy-thiabendazole"	"1"	190	0.710817170481525	358.462937357	0.000232535623015143	TRUE
+"5-hydroxy-thiabendazole"	"1"	191	0.943541098312933	285.348824959	0.000185106352354628	TRUE
+"5-hydroxy-thiabendazole"	"1"	200	0.285023586376285	2249.33108917	0.00145914556758363	TRUE
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+"5-hydroxy-thiabendazole"	"1"	218	1	1541539.884122	1	TRUE
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+"5-hydroxy-thiabendazole"	"1"	146	0.604633971720309	166.134730821	0.000107771931516144	TRUE
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+"5-hydroxy-thiabendazole"	"1"	158	-0.331971393756239	13878.1056368	0.00900275482959977	FALSE
+"5-hydroxy-thiabendazole"	"1"	160	0.77523958114776	386.949028017	0.000251014606889261	TRUE
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+"5-hydroxy-thiabendazole"	"1"	172	0.593280623618274	794.89456843	0.000515649693282338	TRUE
+"5-hydroxy-thiabendazole"	"1"	173	0.89953946593837	207.738348006	0.000134760281031794	TRUE
+"5-hydroxy-thiabendazole"	"1"	174	0.150820546879602	1525.52666664	0.000989612193854381	TRUE
+"5-hydroxy-thiabendazole"	"1"	175	0.646696639290413	163.18886233	0.000105860940745588	TRUE
+"5-hydroxy-thiabendazole"	"1"	176	0.506660895270366	1125.51529793	0.000730124020482966	TRUE
+"5-hydroxy-thiabendazole"	"1"	177	-0.349150043770229	185.412219041	0.000120277276605531	FALSE
+"5-hydroxy-thiabendazole"	"1"	186	-0.386785516946622	13148.1585083	0.00852923667024592	FALSE
+"5-hydroxy-thiabendazole"	"1"	188	-0.333885650073135	540.530680192	0.000350643331229711	FALSE
+"5-hydroxy-thiabendazole"	"1"	190	0.710817170481525	358.462937357	0.000232535623015143	TRUE
+"5-hydroxy-thiabendazole"	"1"	191	0.943541098312933	285.348824959	0.000185106352354628	TRUE
+"5-hydroxy-thiabendazole"	"1"	200	0.285023586376285	2249.33108917	0.00145914556758363	TRUE
+"5-hydroxy-thiabendazole"	"1"	204	0.272327432166324	220.729373931	0.000143187585481591	TRUE
+"5-hydroxy-thiabendazole"	"1"	218	1	1541539.884122	1	TRUE
+"5-hydroxy-thiabendazole"	"1"	219	0.989745977797565	55751.12976688	0.0361658691683048	TRUE
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+"acetamiprid-N-desmethyl"	"2"	131	0.71686560485514	235.917765632	0.00062537970037848	TRUE
+"acetamiprid-N-desmethyl"	"2"	132	0.825023006886452	3437.337815361	0.00911182456866446	TRUE
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+"Acetochlor"	"1"	196	0.256252254525688	141.90940619	0.00132380652554271	TRUE
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+"Chlorfenvinphos"	"3"	270	0.414268218911412	122.097583527	0.00152077028399292	TRUE
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+"Chlorfenvinphos"	"3"	277	-0.0965894124411186	2095.40770716	0.0260990732318137	FALSE
+"Chlorfenvinphos"	"3"	281	-0.469852594334717	209.236600657	0.00260611877328836	FALSE
+"Chlorfenvinphos"	"3"	285	0.0829139920350994	331.69540905	0.00413138824576793	TRUE
+"Chlorfenvinphos"	"3"	297	0.377407626252506	235.281828857	0.00293052166433834	TRUE
+"Chlorfenvinphos"	"3"	299	0.0684165551844081	4636.7299574	0.0577521760089082	TRUE
+"Chlorfenvinphos"	"3"	301	0.755131276527433	309.120713465	0.00385021211415135	TRUE
+"Chlorfenvinphos"	"3"	303	0.256144790638075	675.674108275	0.00841576938581104	TRUE
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+"Chlorfenvinphos"	"3"	315	-0.382059666252692	364.384241579	0.00453853967082075	FALSE
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+"Chlorfenvinphos"	"3"	205	0.752272235645639	6250.3470306075	0.0778503697961336	TRUE
+"Chlorfenvinphos"	"3"	213	0.264335947671665	352.834961408	0.004394689140956	TRUE
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+"Chlorfenvinphos"	"3"	231	0.234108428261132	159.982762809	0.00199264411795024	TRUE
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+"Chlorfenvinphos"	"3"	269	0.0471043568125147	652.63590526	0.00812882009877573	TRUE
+"Chlorfenvinphos"	"3"	270	0.414268218911412	122.097583527	0.00152077028399292	TRUE
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+"Chlorfenvinphos"	"3"	297	0.377407626252506	235.281828857	0.00293052166433834	TRUE
+"Chlorfenvinphos"	"3"	299	0.0684165551844081	4636.7299574	0.0577521760089082	TRUE
+"Chlorfenvinphos"	"3"	301	0.755131276527433	309.120713465	0.00385021211415135	TRUE
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+"Chlorfenvinphos"	"3"	315	-0.382059666252692	364.384241579	0.00453853967082075	FALSE
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+"Chlorfenvinphos"	"3"	359	1	22584.7152179	0.28130092982741	TRUE
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+"Chlorfenvinphos"	"6"	119	0.0731250401711081	66.353376868	0.000891803512611579	TRUE
+"Chlorfenvinphos"	"6"	127	0.967444814451871	20710.93127215	0.278359325927056	TRUE
+"Chlorfenvinphos"	"6"	155	0.963091521050382	74403.5832217	1	TRUE
+"Chlorfenvinphos"	"6"	170	0.449862694478131	251.752763748	0.00338361074624395	TRUE
+"Chlorfenvinphos"	"6"	177	0.170534803208042	308.496086376	0.00414625308376313	TRUE
+"Chlorfenvinphos"	"6"	181	-0.0163271234849685	354.258750916	0.00476131303865322	FALSE
+"Chlorfenvinphos"	"6"	185	0.257029822176199	620.034171576	0.00833339127940232	TRUE
+"Chlorfenvinphos"	"6"	187	0.089332028465713	255.646638389	0.00343594525047605	TRUE
+"Chlorfenvinphos"	"6"	195	-0.00564478295778355	215.919657704	0.00290200617167355	FALSE
+"Chlorfenvinphos"	"6"	205	0.920038935805411	4144.892359716	0.0557082358166203	TRUE
+"Chlorfenvinphos"	"6"	215	-0.485598529136673	111.581706056	0.00149968188660377	FALSE
+"Chlorfenvinphos"	"6"	217	-0.102544969577153	184.536623947	0.00248021151611929	FALSE
+"Chlorfenvinphos"	"6"	227	-0.218545060535632	385.765646933	0.00518477242935378	FALSE
+"Chlorfenvinphos"	"6"	257	-0.190658380546032	116.439049717	0.00156496561959989	FALSE
+"Chlorfenvinphos"	"6"	263	-0.283711355460578	130.036875959	0.00174772329944822	FALSE
+"Chlorfenvinphos"	"6"	269	-0.096686341821556	521.926541329	0.00701480384047927	FALSE
+"Chlorfenvinphos"	"6"	271	-0.29431709758827	286.086881162	0.00384506859447277	FALSE
+"Chlorfenvinphos"	"6"	277	-0.244117217731705	7365.76094096	0.0989973953137751	FALSE
+"Chlorfenvinphos"	"6"	287	-0.285814972272172	1436.521243097	0.0193071513614688	FALSE
+"Chlorfenvinphos"	"6"	299	0.0846894086356431	4075.071828875	0.054769833016409	TRUE
+"Chlorfenvinphos"	"6"	301	0.659557765349154	184.163766389	0.00247520023115349	TRUE
+"Chlorfenvinphos"	"6"	303	0.432503000199826	558.96223402	0.00751257143563184	TRUE
+"Chlorfenvinphos"	"6"	315	-0.531353518553151	228.835577496	0.00307559888364704	FALSE
+"Chlorfenvinphos"	"6"	317	0.102388860009693	371.096517574	0.00498761620751847	TRUE
+"Chlorfenvinphos"	"6"	327	-0.0392538720434494	857.215583061	0.0115211599487992	FALSE
+"Chlorfenvinphos"	"6"	331	0.927142862540353	10942.34945269	0.147067506414108	TRUE
+"Chlorfenvinphos"	"6"	341	0.27843013514813	681.509114277	0.0091596275981267	TRUE
+"Chlorfenvinphos"	"6"	359	1	70775.23458992	0.951234221865785	TRUE
+"Chlorfenvinphos"	"6"	360	0.211699399531209	336.06626725	0.0045168021847634	TRUE
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+"Chlormequat"	"3"	122	1	383174.65968	1	TRUE
+"Chlormequat"	"3"	104	0.258848039085982	1344.00603488	0.0035075545862099	TRUE
+"Chlormequat"	"3"	122	1	383174.65968	1	TRUE
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+"Chlormequat"	"7"	122	1	37880.9293202	1	TRUE
+"Desisopropylatrazine"	"1"	79	-0.00233999251843864	530.25218964	0.0010623465213357	TRUE
+"Desisopropylatrazine"	"1"	115	0.0134526232413478	19215.13916	0.0384970333785257	TRUE
+"Desisopropylatrazine"	"1"	130	0.263395383425939	3994.6477049	0.00800317316208218	TRUE
+"Desisopropylatrazine"	"1"	132	-0.0312768712385	7326.0765379	0.0146776045005323	FALSE
+"Desisopropylatrazine"	"1"	133	0.249785689081156	9816.328859	0.0196667604950881	TRUE
+"Desisopropylatrazine"	"1"	142	-0.064738762712863	4465.0982056	0.0089457085492884	FALSE
+"Desisopropylatrazine"	"1"	146	0.267964087777204	1514.5723649	0.00303440648544061	TRUE
+"Desisopropylatrazine"	"1"	156	-0.877674937275134	2233.4023818	0.00447456379700939	FALSE
+"Desisopropylatrazine"	"1"	159	-0.178626327953242	56937.500976	0.114072807764298	FALSE
+"Desisopropylatrazine"	"1"	174	1	499132.98438	1	TRUE
+"Desisopropylatrazine"	"1"	79	-0.00233999251843864	530.25218964	0.0010623465213357	TRUE
+"Desisopropylatrazine"	"1"	115	0.0134526232413478	19215.13916	0.0384970333785257	TRUE
+"Desisopropylatrazine"	"1"	130	0.263395383425939	3994.6477049	0.00800317316208218	TRUE
+"Desisopropylatrazine"	"1"	132	-0.0312768712385	7326.0765379	0.0146776045005323	FALSE
+"Desisopropylatrazine"	"1"	133	0.249785689081156	9816.328859	0.0196667604950881	TRUE
+"Desisopropylatrazine"	"1"	142	-0.064738762712863	4465.0982056	0.0089457085492884	FALSE
+"Desisopropylatrazine"	"1"	146	0.267964087777204	1514.5723649	0.00303440648544061	TRUE
+"Desisopropylatrazine"	"1"	156	-0.877674937275134	2233.4023818	0.00447456379700939	FALSE
+"Desisopropylatrazine"	"1"	159	-0.178626327953242	56937.500976	0.114072807764298	FALSE
+"Desisopropylatrazine"	"1"	174	1	499132.98438	1	TRUE
+"Dichlorvos"	"8"	77	0.673126587009387	741.86317154	0.00161896017936163	TRUE
+"Dichlorvos"	"8"	79	0.878900088282318	1378.256703748	0.00300775507655178	TRUE
+"Dichlorvos"	"8"	95	0.23830151975066	167.451852342	0.000365428412276191	TRUE
+"Dichlorvos"	"8"	99	0.0952811367061809	779.789044359	0.00170172541184249	TRUE
+"Dichlorvos"	"8"	105	0.421334905224525	170.538307904	0.000372163951715189	TRUE
+"Dichlorvos"	"8"	107	0.259129043686515	193.227040286	0.000421677333233239	TRUE
+"Dichlorvos"	"8"	109	0.967088540122942	63244.728942055	0.138018305315196	TRUE
+"Dichlorvos"	"8"	111	0.669971084873578	362.689319128	0.000791493078068717	TRUE
+"Dichlorvos"	"8"	117	0.427724412537125	150.021759756	0.000327390904954265	TRUE
+"Dichlorvos"	"8"	119	0.352320220252662	842.015996927	0.00183752263450484	TRUE
+"Dichlorvos"	"8"	121	0.347913703205373	778.073791986	0.00169798223466916	TRUE
+"Dichlorvos"	"8"	123	0.375380270767784	270.12158084	0.000589483478548166	TRUE
+"Dichlorvos"	"8"	127	0.948284758535013	7147.09441171	0.0155970287980156	TRUE
+"Dichlorvos"	"8"	133	0.111433255667834	852.743870701	0.00186093396036062	TRUE
+"Dichlorvos"	"8"	135	0.0748728027193132	220.929068083	0.000482131176490902	TRUE
+"Dichlorvos"	"8"	137	0.453769927098964	505.667025571	0.00110351181972854	TRUE
+"Dichlorvos"	"8"	139	0.467524552074558	137.935647968	0.000301015510597557	TRUE
+"Dichlorvos"	"8"	143	0.278796612798532	266.444155698	0.000581458272424074	TRUE
+"Dichlorvos"	"8"	145	0.994170372012309	44316.40897363	0.0967112321692371	TRUE
+"Dichlorvos"	"8"	146	0.346301417994264	207.562618724	0.000452961714948885	TRUE
+"Dichlorvos"	"8"	147	-0.183799172220307	819.102781302	0.00178751936557185	FALSE
+"Dichlorvos"	"8"	149	0.291827272614207	273.867382537	0.000597657902107486	TRUE
+"Dichlorvos"	"8"	151	-0.0612144593206886	544.88402842	0.00118909467166422	FALSE
+"Dichlorvos"	"8"	153	0.459453598609755	595.225358962	0.00129895402666414	TRUE
+"Dichlorvos"	"8"	157	-0.0788899965991259	259.340542296	0.000565956131775221	FALSE
+"Dichlorvos"	"8"	159	0.0596826580176188	1143.682675356	0.00249584664700842	TRUE
+"Dichlorvos"	"8"	161	0.106726535917086	9549.15720075	0.0208390251026838	TRUE
+"Dichlorvos"	"8"	163	0.0347987341572495	754.856181158	0.00164731468729325	TRUE
+"Dichlorvos"	"8"	165	-0.380495498071025	1334.653779975	0.00291260087561511	FALSE
+"Dichlorvos"	"8"	175	0.149156761794573	7231.4122008	0.015781034620363	TRUE
+"Dichlorvos"	"8"	176	-0.107338339253918	284.52136421	0.00062090797401014	FALSE
+"Dichlorvos"	"8"	177	0.0961702542234717	389.493910798	0.000849988455926194	TRUE
+"Dichlorvos"	"8"	178	0.493220332481887	482.049106835	0.00105197068462459	TRUE
+"Dichlorvos"	"8"	179	-0.0861608852458405	2525.723908887	0.00551186066301337	FALSE
+"Dichlorvos"	"8"	185	0.0918293472268129	668.89163876	0.00145971517255995	TRUE
+"Dichlorvos"	"8"	189	-0.197479261216347	5542.6118852	0.0120955834930694	FALSE
+"Dichlorvos"	"8"	191	0.387244221989	1667.67687608	0.00363935366788881	TRUE
+"Dichlorvos"	"8"	192	0.819756995871118	124.725039958	0.000272186139988758	TRUE
+"Dichlorvos"	"8"	193	-0.217736800465349	3528.26782225	0.00769970167745111	FALSE
+"Dichlorvos"	"8"	203	-0.00105621012897679	9102.7295684	0.0198647907863461	TRUE
+"Dichlorvos"	"8"	204	0.224749665606753	212.49892521	0.000463734164560272	TRUE
+"Dichlorvos"	"8"	206	0.0812819184416861	745.68288134	0.00162729589179507	TRUE
+"Dichlorvos"	"8"	219	0.850573767933108	128.129454139	0.000279615557170436	TRUE
+"Dichlorvos"	"8"	221	1	458234.353752	1	TRUE
+"Dichlorvos"	"8"	222	0.129303934081555	360.408204103	0.000786515024794618	TRUE
+"Dichlorvos"	"8"	77	0.673126587009387	741.86317154	0.00161896017936163	TRUE
+"Dichlorvos"	"8"	79	0.878900088282318	1378.256703748	0.00300775507655178	TRUE
+"Dichlorvos"	"8"	95	0.23830151975066	167.451852342	0.000365428412276191	TRUE
+"Dichlorvos"	"8"	99	0.0952811367061809	779.789044359	0.00170172541184249	TRUE
+"Dichlorvos"	"8"	105	0.421334905224525	170.538307904	0.000372163951715189	TRUE
+"Dichlorvos"	"8"	107	0.259129043686515	193.227040286	0.000421677333233239	TRUE
+"Dichlorvos"	"8"	109	0.967088540122942	63244.728942055	0.138018305315196	TRUE
+"Dichlorvos"	"8"	111	0.669971084873578	362.689319128	0.000791493078068717	TRUE
+"Dichlorvos"	"8"	117	0.427724412537125	150.021759756	0.000327390904954265	TRUE
+"Dichlorvos"	"8"	119	0.352320220252662	842.015996927	0.00183752263450484	TRUE
+"Dichlorvos"	"8"	121	0.347913703205373	778.073791986	0.00169798223466916	TRUE
+"Dichlorvos"	"8"	123	0.375380270767784	270.12158084	0.000589483478548166	TRUE
+"Dichlorvos"	"8"	127	0.948284758535013	7147.09441171	0.0155970287980156	TRUE
+"Dichlorvos"	"8"	133	0.111433255667834	852.743870701	0.00186093396036062	TRUE
+"Dichlorvos"	"8"	135	0.0748728027193132	220.929068083	0.000482131176490902	TRUE
+"Dichlorvos"	"8"	137	0.453769927098964	505.667025571	0.00110351181972854	TRUE
+"Dichlorvos"	"8"	139	0.467524552074558	137.935647968	0.000301015510597557	TRUE
+"Dichlorvos"	"8"	143	0.278796612798532	266.444155698	0.000581458272424074	TRUE
+"Dichlorvos"	"8"	145	0.994170372012309	44316.40897363	0.0967112321692371	TRUE
+"Dichlorvos"	"8"	146	0.346301417994264	207.562618724	0.000452961714948885	TRUE
+"Dichlorvos"	"8"	147	-0.183799172220307	819.102781302	0.00178751936557185	FALSE
+"Dichlorvos"	"8"	149	0.291827272614207	273.867382537	0.000597657902107486	TRUE
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+"TCMTB"	"4"	223	-0.122424017975061	256.69197036	0.00421277084309532	FALSE
+"TCMTB"	"4"	225	0.390061336386313	194.082402714	0.00318523671061755	TRUE
+"TCMTB"	"4"	239	1	60931.861694	1	TRUE
+"TCMTB"	"4"	81	0.37122794225711	225.766800173	0.00370523391040966	TRUE
+"TCMTB"	"4"	133	0.852030361970682	108.790925507	0.00178545218351194	TRUE
+"TCMTB"	"4"	139	-0.433048450364907	146.048198231	0.00239691015784902	FALSE
+"TCMTB"	"4"	157	-0.228697268192068	531.528373955	0.00872332404061995	FALSE
+"TCMTB"	"4"	167	0.150333851615877	212.684405793	0.00349052859833993	TRUE
+"TCMTB"	"4"	179	-0.17837964882576	1037.96452143	0.0170348401078349	FALSE
+"TCMTB"	"4"	180	0.789611889046075	20869.9768059	0.342513362068421	TRUE
+"TCMTB"	"4"	193	-0.166605827659421	150.142760278	0.00246410918858868	FALSE
+"TCMTB"	"4"	195	-0.182545269304725	161.612817282	0.00265235318253724	FALSE
+"TCMTB"	"4"	197	-0.242749284253616	110.914985894	0.00182031178451457	FALSE
+"TCMTB"	"4"	203	-0.312531258837773	175.738325112	0.00288417783777161	FALSE
+"TCMTB"	"4"	206	-0.0611854467140295	132.843214032	0.00218019292926153	FALSE
+"TCMTB"	"4"	207	-0.101127912669245	1589.964396964	0.0260941378247854	FALSE
+"TCMTB"	"4"	209	-0.156399927520568	1072.447051034	0.0176007596226065	FALSE
+"TCMTB"	"4"	211	0.17680025099723	170.462800996	0.0027975971233583	TRUE
+"TCMTB"	"4"	212	0.793502338978203	8421.26882924	0.138207968624554	TRUE
+"TCMTB"	"4"	221	-0.0518016280736369	625.5821654935	0.010266913698373	FALSE
+"TCMTB"	"4"	223	-0.122424017975061	256.69197036	0.00421277084309532	FALSE
+"TCMTB"	"4"	225	0.390061336386313	194.082402714	0.00318523671061755	TRUE
+"TCMTB"	"4"	239	1	60931.861694	1	TRUE
+"TCMTB"	"9"	81	0.199905171881859	504.416463383	0.00917134682541392	TRUE
+"TCMTB"	"9"	89	-0.199107007659055	149.391085399	0.00271624254218471	FALSE
+"TCMTB"	"9"	99	-0.0338812622433734	125.761179447	0.00228660140500962	FALSE
+"TCMTB"	"9"	109	0.126483758021084	210.522521964	0.00382773998006215	TRUE
+"TCMTB"	"9"	119	-0.79394237724823	127.158565038	0.00231200879916552	FALSE
+"TCMTB"	"9"	121	-0.821911171544641	157.729379176	0.00286785017142061	FALSE
+"TCMTB"	"9"	123	0.0805464330600702	205.188810103	0.00373076193732346	TRUE
+"TCMTB"	"9"	125	0.0321761514069641	122.26306915	0.00222299843980867	TRUE
+"TCMTB"	"9"	133	-0.199696627444678	412.972375868	0.00750870196226088	FALSE
+"TCMTB"	"9"	135	-0.00914152198049568	188.844723215	0.00343359223673672	FALSE
+"TCMTB"	"9"	139	0.0356119841376918	204.951471794	0.00372644663022147	TRUE
+"TCMTB"	"9"	147	0.368323214591474	192.940634707	0.00350806447859693	TRUE
+"TCMTB"	"9"	149	0.217409002829919	126.687723869	0.00230344792145027	TRUE
+"TCMTB"	"9"	151	-0.491987609751591	238.69669676	0.00434000543397092	FALSE
+"TCMTB"	"9"	153	-0.323263979793048	164.52813863	0.00299146584509828	FALSE
+"TCMTB"	"9"	157	0.0235401472310745	524.488719947	0.00953630245212462	TRUE
+"TCMTB"	"9"	161	-0.208033920560992	241.425545684	0.00438962161768608	FALSE
+"TCMTB"	"9"	163	-0.101839082838135	132.498260018	0.00240909562752766	FALSE
+"TCMTB"	"9"	165	-0.139851929152631	231.5828352	0.00421066054463649	FALSE
+"TCMTB"	"9"	167	-0.146067756874238	119.464797018	0.00217211999689992	FALSE
+"TCMTB"	"9"	175	-0.304775982977829	383.484092949	0.00697254327282744	FALSE
+"TCMTB"	"9"	177	0.511849259901944	181.200629236	0.00329460661248235	TRUE
+"TCMTB"	"9"	179	-0.183784064101631	1750.86946875	0.0318344707391953	FALSE
+"TCMTB"	"9"	180	0.0824682602917446	54999.170022145	1	TRUE
+"TCMTB"	"9"	181	-0.186412259346711	596.373793601	0.010843323514898	FALSE
+"TCMTB"	"9"	183	0.22178450880952	494.953159792	0.0089992841636103	TRUE
+"TCMTB"	"9"	193	0.193475698040205	809.099626569	0.0147111242995707	TRUE
+"TCMTB"	"9"	195	-0.404056320613755	725.98131943	0.0131998595458384	FALSE
+"TCMTB"	"9"	196	0.174130986610192	133.296440371	0.00242360821658453	TRUE
+"TCMTB"	"9"	197	0.106256782096321	523.726283058	0.00952243975403857	TRUE
+"TCMTB"	"9"	198	-0.00716378372760408	208.4981954115	0.00379093348731535	FALSE
+"TCMTB"	"9"	203	-0.144194753912229	459.324955954	0.00835148886372388	FALSE
+"TCMTB"	"9"	206	0.325500568016324	152.820631021	0.00277859885811855	TRUE
+"TCMTB"	"9"	207	-0.425345150875628	3160.93913257	0.0574724878811311	FALSE
+"TCMTB"	"9"	209	0.212622900608598	3198.85811233	0.0581619342808629	TRUE
+"TCMTB"	"9"	211	-0.529929003540618	578.71673209	0.0105222811881886	FALSE
+"TCMTB"	"9"	212	-0.0150310618117631	20718.67312981	0.376708832541796	FALSE
+"TCMTB"	"9"	219	0.0614914753429088	123.263058663	0.00224118034169187	TRUE
+"TCMTB"	"9"	221	0.209076519592657	2733.66568752	0.0497037625553133	TRUE
+"TCMTB"	"9"	223	0.0847402042583731	543.135544781	0.0098753407471842	TRUE
+"TCMTB"	"9"	225	0.382588834038783	381.507453195	0.00693660382586481	TRUE
+"TCMTB"	"9"	239	1	27067.5244917	0.492144235645765	TRUE
+"Trichlorfon (Dylox)"	"4"	79	0.0521595798449914	279.873629576	0.00690652095555926	TRUE
+"Trichlorfon (Dylox)"	"4"	109	0.922563790701349	9640.82224867	0.237909305675332	TRUE
+"Trichlorfon (Dylox)"	"4"	125	-0.441808918074544	178.089407913	0.00439476284199285	FALSE
+"Trichlorfon (Dylox)"	"4"	127	0.769422232032552	1076.07612804	0.0265546358881489	TRUE
+"Trichlorfon (Dylox)"	"4"	140	0.348604833045235	1970.98268515	0.0486384988777101	TRUE
+"Trichlorfon (Dylox)"	"4"	145	0.820960207936605	4235.84716059	0.104529202066952	TRUE
+"Trichlorfon (Dylox)"	"4"	185	0.31275352450403	348.909767164	0.00861014530796692	TRUE
+"Trichlorfon (Dylox)"	"4"	187	-0.260474354038597	107.324927324	0.00264848767902871	FALSE
+"Trichlorfon (Dylox)"	"4"	197	-0.0360245652498858	2081.96281053	0.0513771869161251	FALSE
+"Trichlorfon (Dylox)"	"4"	199	0.34691746641912	144.142693995	0.00355705015215411	TRUE
+"Trichlorfon (Dylox)"	"4"	201	0.095844899247823	127.383673675	0.00314348305328139	TRUE
+"Trichlorfon (Dylox)"	"4"	211	0.589929547507267	156.726169586	0.00386757614917167	TRUE
+"Trichlorfon (Dylox)"	"4"	213	0.214402092378455	334.711538323	0.00825977158690306	TRUE
+"Trichlorfon (Dylox)"	"4"	215	0.177739314274526	412.352368363	0.0101757363760497	TRUE
+"Trichlorfon (Dylox)"	"4"	221	0.950607639404665	40523.0985871	1	TRUE
+"Trichlorfon (Dylox)"	"4"	225	-0.377401610724356	503.974612244	0.012436724480996	FALSE
+"Trichlorfon (Dylox)"	"4"	227	0.163495046198974	177.141063216	0.00437136027086513	TRUE
+"Trichlorfon (Dylox)"	"4"	229	0.602334206324447	1013.548554406	0.0250116252148756	TRUE
+"Trichlorfon (Dylox)"	"4"	239	-0.216616311827602	1313.5219316555	0.0324141533459547	FALSE
+"Trichlorfon (Dylox)"	"4"	257	1	25290.7478033	0.624106958379313	TRUE
+"Trichlorfon (Dylox)"	"4"	79	0.0521595798449914	279.873629576	0.00690652095555926	TRUE
+"Trichlorfon (Dylox)"	"4"	109	0.922563790701349	9640.82224867	0.237909305675332	TRUE
+"Trichlorfon (Dylox)"	"4"	125	-0.441808918074544	178.089407913	0.00439476284199285	FALSE
+"Trichlorfon (Dylox)"	"4"	127	0.769422232032552	1076.07612804	0.0265546358881489	TRUE
+"Trichlorfon (Dylox)"	"4"	140	0.348604833045235	1970.98268515	0.0486384988777101	TRUE
+"Trichlorfon (Dylox)"	"4"	145	0.820960207936605	4235.84716059	0.104529202066952	TRUE
+"Trichlorfon (Dylox)"	"4"	185	0.31275352450403	348.909767164	0.00861014530796692	TRUE
+"Trichlorfon (Dylox)"	"4"	187	-0.260474354038597	107.324927324	0.00264848767902871	FALSE
+"Trichlorfon (Dylox)"	"4"	197	-0.0360245652498858	2081.96281053	0.0513771869161251	FALSE
+"Trichlorfon (Dylox)"	"4"	199	0.34691746641912	144.142693995	0.00355705015215411	TRUE
+"Trichlorfon (Dylox)"	"4"	201	0.095844899247823	127.383673675	0.00314348305328139	TRUE
+"Trichlorfon (Dylox)"	"4"	211	0.589929547507267	156.726169586	0.00386757614917167	TRUE
+"Trichlorfon (Dylox)"	"4"	213	0.214402092378455	334.711538323	0.00825977158690306	TRUE
+"Trichlorfon (Dylox)"	"4"	215	0.177739314274526	412.352368363	0.0101757363760497	TRUE
+"Trichlorfon (Dylox)"	"4"	221	0.950607639404665	40523.0985871	1	TRUE
+"Trichlorfon (Dylox)"	"4"	225	-0.377401610724356	503.974612244	0.012436724480996	FALSE
+"Trichlorfon (Dylox)"	"4"	227	0.163495046198974	177.141063216	0.00437136027086513	TRUE
+"Trichlorfon (Dylox)"	"4"	229	0.602334206324447	1013.548554406	0.0250116252148756	TRUE
+"Trichlorfon (Dylox)"	"4"	239	-0.216616311827602	1313.5219316555	0.0324141533459547	FALSE
+"Trichlorfon (Dylox)"	"4"	257	1	25290.7478033	0.624106958379313	TRUE