comparison test-data/compound_fragments_result.txt @ 6:77abacd33c31 draft

planemo upload commit 1f791337b9b8f08326c01bf4799f50493ef54f80

5:78d5a12406c2

"compoundName"	"inchikey"	"elemcomposition"	"fragment"	"fragment_mz"	"ppm"	"fileid"	"CorWithPrecursor"	"AbsoluteIntensity"	"relativeIntensity"	"corValid"
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	84	NA	"7"	0.601436519480403	406.383798606	0.00344160476662782	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	123	NA	"7"	-0.167860259307508	295.871994004	0.00250569650751035	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	126	NA	"7"	0.907929868611774	430.137959956	0.00364277527394095	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	137	NA	"7"	0.676403388268515	430.806630151	0.00364843814371653	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	146	NA	"7"	-0.125051837812104	538.358772757	0.00455928145962519	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	148	NA	"7"	0.1558553290912	143.310915941	0.00121367912083162	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	149	NA	"7"	-0.276972713799663	617.416199707	0.00522880720932724	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	150	NA	"7"	-0.410733329402461	5080.527405	0.0430262411887723	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	151	NA	"7"	-0.243340932574313	218.539256565	0.00185077690023418	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	154	NA	"7"	0.991757449276389	16836.882397703	0.14258908675458	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	164	NA	"7"	0.146040591250743	1829.10214243	0.0154903976822645	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	180	NA	"7"	0.39213526382476	209.753137589	0.00177636854770712	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	182	NA	"7"	1	118079.7407496	1	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	132	NA	"1"	0.710501933879621	105.532976149	6.84594522892331e-05	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	144	NA	"1"	0.276479394498518	203.085251814	0.00013174180824369	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	146	NA	"1"	0.604633971720309	166.134730821	0.000107771931516144	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	156	NA	"1"	0.191791879044897	459.381193152	0.000298001496998986	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	158	NA	"1"	-0.331971393756239	13878.1056368	0.00900275482959977	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	160	NA	"1"	0.77523958114776	386.949028017	0.000251014606889261	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	162	NA	"1"	-0.476769537229124	213.45186329	0.000138466649801652	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	172	NA	"1"	0.593280623618274	794.89456843	0.000515649693282338	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	173	NA	"1"	0.89953946593837	207.738348006	0.000134760281031794	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	174	NA	"1"	0.150820546879602	1525.52666664	0.000989612193854381	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	175	NA	"1"	0.646696639290413	163.18886233	0.000105860940745588	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	176	NA	"1"	0.506660895270366	1125.51529793	0.000730124020482966	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	177	NA	"1"	-0.349150043770229	185.412219041	0.000120277276605531	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	186	NA	"1"	-0.386785516946622	13148.1585083	0.00852923667024592	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	188	NA	"1"	-0.333885650073135	540.530680192	0.000350643331229711	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	190	NA	"1"	0.710817170481525	358.462937357	0.000232535623015143	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	191	NA	"1"	0.943541098312933	285.348824959	0.000185106352354628	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	200	NA	"1"	0.285023586376285	2249.33108917	0.00145914556758363	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	204	NA	"1"	0.272327432166324	220.729373931	0.000143187585481591	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	218	NA	"1"	1	1541539.884122	1	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	219	NA	"1"	0.989745977797565	55751.12976688	0.0361658691683048	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	99	NA	"2"	0.667400010170284	282.404261107	0.000748607853773036	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	107	NA	"2"	0.644182822419527	250.776102526	0.000664766739544435	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	121	NA	"2"	0.468461643454679	182.548945409	0.000483907621278365	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	126	NA	"2"	0.99471830230169	148406.8197	0.393402388283387	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	127	NA	"2"	0.685580673617811	301.425851346	0.000799031001739535	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	131	NA	"2"	0.71686560485514	235.917765632	0.00062537970037848	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	132	NA	"2"	0.825023006886452	3437.337815361	0.00911182456866446	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	133	NA	"2"	0.609229728784487	1059.475870153	0.00280849854804084	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	135	NA	"2"	-0.0630703589928776	1620.073705625	0.00429455240855075	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	139	NA	"2"	0.388512588178974	560.54565096	0.00148591552783965	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	141	NA	"2"	0.971318347491603	11361.06560494	0.0301163406874599	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	146	NA	"2"	0.677368485127156	744.749183894	0.00197420919205914	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	147	NA	"2"	0.814646347538386	171.753984928	0.00045529193337915	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	149	NA	"2"	-0.156704527239734	1569.49830252	0.00416048522477764	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	151	NA	"2"	0.451637386634768	547.910546303	0.00145242191643876	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	153	NA	"2"	0.307104196288287	353.766232977	0.00093777685707774	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	156	NA	"2"	0.486407391413412	347.237878558	0.000920471249254685	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	159	NA	"2"	0.161971228755214	544.50952719	0.00144340636685447	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	163	NA	"2"	-0.0146119879123163	804.357781409	0.00213222190786309	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	165	NA	"2"	0.907832718528441	5504.73675146	0.0145921635493123	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	167	NA	"2"	0.967321684550227	14122.07723917	0.0374353343373474	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	168	NA	"2"	0.977465016016083	20360.7667386	0.0539730874796597	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	173	NA	"2"	0.825972891702218	4449.28006372	0.0117943192014181	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	174	NA	"2"	0.438640287775404	357.580513016	0.00094788789429259	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	175	NA	"2"	-0.153796105444945	275.919033053	0.000731416566942933	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	177	NA	"2"	-0.495623187250053	34391.2702636	0.0911656747658185	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	179	NA	"2"	0.00427133435060827	165.392969587	0.000438429914287877	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	180	NA	"2"	0.855262507886083	2962.451229122	0.00785297731644369	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	181	NA	"2"	0.514902430711196	334.53332619	0.000886793543245312	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	182	NA	"2"	0.983758938668445	16217.3405395	0.0429895372243752	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	191	NA	"2"	0.248678055177222	2196.72544869	0.00582316257207377	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	192	NA	"2"	0.98871539868282	29705.473639	0.0787443885550213	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	193	NA	"2"	0.375698142428829	714.29845333	0.0018934892483728	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	195	NA	"2"	0.144605138810588	367.760202152	0.000974872597732636	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	207	NA	"2"	0.7622236383338	134.383083348	0.000356227739674342	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	209	NA	"2"	1	377239.244397	1	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	210	NA	"2"	0.765065526384015	386.747904794	0.00102520591518043	TRUE
"Acetochlor"	NA	NA	NA	90	NA	"1"	-0.413542784417976	168.935868988	0.00157592376551218	FALSE
"Acetochlor"	NA	NA	NA	105	NA	"1"	0.0886345509407037	645.152495867	0.00601832610627245	TRUE
"Acetochlor"	NA	NA	NA	106	NA	"1"	-0.293052763132192	236.024559512	0.00220176280388344	FALSE
"Acetochlor"	NA	NA	NA	108	NA	"1"	-0.116561248444136	164.247659203	0.0015321896475765	FALSE
"Acetochlor"	NA	NA	NA	109	NA	"1"	-0.378222721795233	71.653102161	0.00066841830124432	FALSE
"Acetochlor"	NA	NA	NA	131	NA	"1"	-0.138102380187011	668.788094532	0.00623881155954778	FALSE
"Acetochlor"	NA	NA	NA	133	NA	"1"	-0.271231157310156	164.479385851	0.00153435131717262	FALSE
"Acetochlor"	NA	NA	NA	146	NA	"1"	0.425554853536635	292.081740854	0.00272469404893927	TRUE
"Acetochlor"	NA	NA	NA	148	NA	"1"	0.0578513509605613	6853.478112981	0.0639328941767335	TRUE
"Acetochlor"	NA	NA	NA	149	NA	"1"	0.301743295670748	176.969023715	0.00165086131147061	TRUE
"Acetochlor"	NA	NA	NA	158	NA	"1"	0.97190874911017	424.736170283	0.00396216522181653	TRUE
"Acetochlor"	NA	NA	NA	170	NA	"1"	-0.13939212527027	148.949374199	0.00138947909679882	FALSE
"Acetochlor"	NA	NA	NA	181	NA	"1"	0.141259460310622	150.438060279	0.00140336635346559	TRUE
"Acetochlor"	NA	NA	NA	182	NA	"1"	-0.0210426315627036	162.282338626	0.00151385609045391	FALSE
"Acetochlor"	NA	NA	NA	187	NA	"1"	-0.0923918791297787	2237.85539434	0.0208759070577874	FALSE
"Acetochlor"	NA	NA	NA	188	NA	"1"	-0.191587550018626	4602.40566264	0.0429336913808246	FALSE
"Acetochlor"	NA	NA	NA	192	NA	"1"	-0.296095034301861	308.925148018	0.00288181832219726	FALSE
"Acetochlor"	NA	NA	NA	194	NA	"1"	0.259284492453656	715.460827596	0.00667419967266773	TRUE
"Acetochlor"	NA	NA	NA	196	NA	"1"	0.256252254525688	141.90940619	0.00132380652554271	TRUE
"Acetochlor"	NA	NA	NA	198	NA	"1"	0.26612556611455	206.362589833	0.0019250601519892	TRUE
"Acetochlor"	NA	NA	NA	206	NA	"1"	-0.103848204114401	1366.751734653	0.0127497881479963	FALSE
"Acetochlor"	NA	NA	NA	208	NA	"1"	0.14680023271578	230.938957684	0.00215432160130942	TRUE
"Acetochlor"	NA	NA	NA	209	NA	"1"	-0.285178652800338	250.230108255	0.00233427972879905	FALSE
"Acetochlor"	NA	NA	NA	210	NA	"1"	-0.150121465648155	2176.80463217	0.0203063930310583	FALSE
"Acetochlor"	NA	NA	NA	211	NA	"1"	0.351817549891049	157.548359398	0.00146969501077594	TRUE
"Acetochlor"	NA	NA	NA	212	NA	"1"	-0.274380798967957	244.831272599	0.00228391651424104	FALSE
"Acetochlor"	NA	NA	NA	214	NA	"1"	-0.258732686623694	176.2052269075	0.00164373620803241	FALSE
"Acetochlor"	NA	NA	NA	216	NA	"1"	-0.418583624117481	94.821614269	0.000884546522333634	FALSE
"Acetochlor"	NA	NA	NA	224	NA	"1"	-0.0120963321458483	107197.9956677	1	FALSE
"Acetochlor"	NA	NA	NA	226	NA	"1"	-0.257432677982489	399.374764942	0.00372558052465841	FALSE
"Acetochlor"	NA	NA	NA	228	NA	"1"	0.263942241843786	184.647782791	0.00172249286603627	TRUE
"Acetochlor"	NA	NA	NA	229	NA	"1"	-0.00925902828729661	307.596475608	0.00286942375827165	FALSE
"Acetochlor"	NA	NA	NA	234	NA	"1"	0.145449046631585	301.330885896	0.00281097500022376	TRUE
"Acetochlor"	NA	NA	NA	236	NA	"1"	0.115607205627716	138.344456677	0.00129055077770157	TRUE
"Acetochlor"	NA	NA	NA	238	NA	"1"	-0.149430685867243	2391.6560440125	0.0223106414361172	FALSE
"Acetochlor"	NA	NA	NA	240	NA	"1"	0.156192678570762	600.865685468	0.00560519515057545	TRUE
"Acetochlor"	NA	NA	NA	241	NA	"1"	0.202965937972007	160.343672044	0.0014957711759933	TRUE
"Acetochlor"	NA	NA	NA	242	NA	"1"	0.124997914136909	329.957005985	0.00307801469542233	TRUE
"Acetochlor"	NA	NA	NA	252	NA	"1"	-0.19893084330067	2059.789746802	0.0192148158552058	FALSE
"Acetochlor"	NA	NA	NA	253	NA	"1"	-0.0791613436472404	452.481779105	0.00422099103893356	FALSE
"Acetochlor"	NA	NA	NA	256	NA	"1"	0.186204065321267	164.824254505	0.00153756843566305	TRUE
"Acetochlor"	NA	NA	NA	261	NA	"1"	-0.242902770076295	257.921786798	0.00240603180303412	FALSE
"Acetochlor"	NA	NA	NA	270	NA	"1"	1	16594.42395571	0.154801625276191	TRUE
"Acetochlor"	NA	NA	NA	271	NA	"1"	-0.253532188775508	779.655446051	0.00727304126532208	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	77	NA	"3"	0.69477920751872	870.478060227	0.0014242295653631	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	89	NA	"3"	0.676653604256223	165.940935375	0.000271503667999917	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	95	NA	"3"	0.521609484198171	238.079426778	0.000389532802737732	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	99	NA	"3"	0.214978774915306	758.42315006	0.00124089132480787	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	103	NA	"3"	-0.175614809818246	205.276515963	0.000335862437512779	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	105	NA	"3"	0.987595651529689	30618.35601838	0.0500961137065514	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	109	NA	"3"	-0.0331819338939282	119.257135388	0.000195122135595017	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	125	NA	"3"	0.221534949124524	125.521258344	0.000205371157968629	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	131	NA	"3"	-0.0769400909861422	114.41145277	0.000187193889308003	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	133	NA	"3"	0.572601862795851	129.429865364	0.000211766211367009	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	145	NA	"3"	0.718567048619817	288.210931778	0.00047155528537047	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	147	NA	"3"	0.57814551993529	376.0975962	0.000615350737076991	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	151	NA	"3"	0.998571995173738	159431.3573291	0.260853045158726	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	155	NA	"3"	0.274165989375019	547.054241654	0.00089506084118621	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	157	NA	"3"	0.521741962188308	155.837506292	0.000254972978636183	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	159	NA	"3"	0.599002952882604	238.00416661	0.000389409666082994	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	167	NA	"3"	0.564592368281745	257.318804747	0.000421011242200641	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	168	NA	"3"	-0.146991507106656	151.218960753	0.000247416361868721	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	169	NA	"3"	-0.107419781343326	3788.50213244	0.00619854421610022	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	171	NA	"3"	0.111676250736762	382.563049794	0.000625929165853998	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	173	NA	"3"	0.884908337751885	458.223273266	0.0007497203699226	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	176	NA	"3"	-0.310670506555032	259.803405295	0.000425076412502183	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	179	NA	"3"	0.442667912965062	428.589997766	0.000701235992183494	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	183	NA	"3"	0.203058950554087	944.86580463	0.00154593880735342	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	185	NA	"3"	0.086056322407198	684.03097247	0.0011191748294745	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	187	NA	"3"	0.188752374223928	691.000221263	0.00113057754096475	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	188	NA	"3"	0.532318575773762	155.360950946	0.000254193264311013	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	193	NA	"3"	0.532333874252887	550.277831083	0.000900335105502736	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	194	NA	"3"	0.404771811623703	213.046855456	0.00034857585068709	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	197	NA	"3"	-0.376007038146267	9309.2124023	0.0152312345817688	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	199	NA	"3"	0.693343211910461	425.048076161	0.00069544088981558	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	201	NA	"3"	0.131155119793369	874.082128059	0.00143012634805809	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	211	NA	"3"	0.135597286354562	4465.9266051	0.0073069098445358	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	212	NA	"3"	-0.168353630773146	322.224400034	0.000527206299823496	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	229	NA	"3"	1	611192.241333	1	TRUE
"Carbendazim"	NA	NA	NA	160	NA	"3"	0.994444263956995	200635.423844	0.331299115613893	TRUE
"Carbendazim"	NA	NA	NA	174	NA	"3"	-0.327599422633271	174354.292947145	0.28790241498823	FALSE
"Carbendazim"	NA	NA	NA	192	NA	"3"	1	605602.0508	1	TRUE
"Cefoperazone"	NA	NA	NA	347	NA	"10"	0.226884700924027	55.521286247	0.00372463293062797	TRUE
"Cefoperazone"	NA	NA	NA	441	NA	"10"	0.950924061290588	356.13324352	0.0238911180948661	TRUE
"Cefoperazone"	NA	NA	NA	524	NA	"10"	0.63708852921762	114.893221858	0.00770758580293832	TRUE
"Cefoperazone"	NA	NA	NA	561	NA	"10"	0.111067154638739	72.667052267	0.00487485276622093	TRUE
"Cefoperazone"	NA	NA	NA	564	NA	"10"	-0.75489933245436	748.1662902	0.0501905663652606	FALSE
"Cefoperazone"	NA	NA	NA	586	NA	"10"	0.187524556076074	129.148378375	0.00866388975379182	TRUE
"Cefoperazone"	NA	NA	NA	614	NA	"10"	0.0285742507974875	422.54654697	0.0283464395361093	TRUE
"Cefoperazone"	NA	NA	NA	628	NA	"10"	0.43993219756173	173.41936492	0.011633798873392	TRUE
"Cefoperazone"	NA	NA	NA	629	NA	"10"	0.559404696846334	796.2319794	0.0534150422542233	TRUE
"Cefoperazone"	NA	NA	NA	646	NA	"10"	1	14906.512207	1	TRUE
"Cefoperazone"	NA	NA	NA	647	NA	"10"	0.297300736007047	14057.66561646	0.943055318457299	TRUE
"Chlorfenvinphos"	NA	NA	NA	127	NA	"3"	0.727473295311465	24137.73558819	0.300644369405397	TRUE
"Chlorfenvinphos"	NA	NA	NA	155	NA	"3"	0.745209586723937	80286.67104569	1	TRUE
"Chlorfenvinphos"	NA	NA	NA	157	NA	"3"	0.017393610004476	139.23782349	0.00173425827321651	TRUE
"Chlorfenvinphos"	NA	NA	NA	170	NA	"3"	0.799420559123311	545.251562146	0.00679130863248403	TRUE
"Chlorfenvinphos"	NA	NA	NA	171	NA	"3"	-0.531295080469301	99.739204413	0.0012422884535372	FALSE
"Chlorfenvinphos"	NA	NA	NA	173	NA	"3"	-0.198218744905989	168.180216313	0.0020947464145984	FALSE
"Chlorfenvinphos"	NA	NA	NA	181	NA	"3"	-0.128976632201229	461.190903668	0.00574430223175579	FALSE
"Chlorfenvinphos"	NA	NA	NA	185	NA	"3"	-0.2544333889353	247.534089571	0.00308312807527082	FALSE
"Chlorfenvinphos"	NA	NA	NA	203	NA	"3"	-0.172388876944166	163.480865011	0.00203621426672387	FALSE
"Chlorfenvinphos"	NA	NA	NA	205	NA	"3"	0.752272235645639	6250.3470306075	0.0778503697961336	TRUE
"Chlorfenvinphos"	NA	NA	NA	213	NA	"3"	0.264335947671665	352.834961408	0.004394689140956	TRUE
"Chlorfenvinphos"	NA	NA	NA	217	NA	"3"	-0.442009813945246	491.887822143	0.00612664363506956	FALSE
"Chlorfenvinphos"	NA	NA	NA	227	NA	"3"	0.458106805328464	167.324791902	0.00208409178911874	TRUE
"Chlorfenvinphos"	NA	NA	NA	229	NA	"3"	-0.395326148767009	213.640604973	0.00266097226588732	FALSE
"Chlorfenvinphos"	NA	NA	NA	231	NA	"3"	0.234108428261132	159.982762809	0.00199264411795024	TRUE
"Chlorfenvinphos"	NA	NA	NA	239	NA	"3"	-0.171996620639336	142.366676804	0.00177322929135997	FALSE
"Chlorfenvinphos"	NA	NA	NA	247	NA	"3"	-0.232816566716532	148.446807872	0.0018489595587731	FALSE
"Chlorfenvinphos"	NA	NA	NA	256	NA	"3"	0.394955111460252	475.08197783	0.00591732066658534	TRUE
"Chlorfenvinphos"	NA	NA	NA	257	NA	"3"	0.227845777482218	243.51356935	0.00303305101803785	TRUE
"Chlorfenvinphos"	NA	NA	NA	263	NA	"3"	0.313835212054095	156.506553191	0.0019493466493577	TRUE
"Chlorfenvinphos"	NA	NA	NA	269	NA	"3"	0.0471043568125147	652.63590526	0.00812882009877573	TRUE
"Chlorfenvinphos"	NA	NA	NA	270	NA	"3"	0.414268218911412	122.097583527	0.00152077028399292	TRUE
"Chlorfenvinphos"	NA	NA	NA	271	NA	"3"	-0.208600220564307	998.660381296	0.0124386821409954	FALSE
"Chlorfenvinphos"	NA	NA	NA	277	NA	"3"	-0.0965894124411186	2095.40770716	0.0260990732318137	FALSE
"Chlorfenvinphos"	NA	NA	NA	281	NA	"3"	-0.469852594334717	209.236600657	0.00260611877328836	FALSE
"Chlorfenvinphos"	NA	NA	NA	285	NA	"3"	0.0829139920350994	331.69540905	0.00413138824576793	TRUE
"Chlorfenvinphos"	NA	NA	NA	297	NA	"3"	0.377407626252506	235.281828857	0.00293052166433834	TRUE
"Chlorfenvinphos"	NA	NA	NA	299	NA	"3"	0.0684165551844081	4636.7299574	0.0577521760089082	TRUE
"Chlorfenvinphos"	NA	NA	NA	301	NA	"3"	0.755131276527433	309.120713465	0.00385021211415135	TRUE
"Chlorfenvinphos"	NA	NA	NA	303	NA	"3"	0.256144790638075	675.674108275	0.00841576938581104	TRUE
"Chlorfenvinphos"	NA	NA	NA	313	NA	"3"	-0.204360058382281	243.367131218	0.00303122707727542	FALSE
"Chlorfenvinphos"	NA	NA	NA	315	NA	"3"	-0.382059666252692	364.384241579	0.00453853967082075	FALSE
"Chlorfenvinphos"	NA	NA	NA	317	NA	"3"	0.310202941106162	455.98356629	0.00567944293057693	TRUE
"Chlorfenvinphos"	NA	NA	NA	318	NA	"3"	0.415225959687801	228.938733097	0.00285151607502464	TRUE
"Chlorfenvinphos"	NA	NA	NA	323	NA	"3"	-0.314263466258524	563.653416619	0.00702051049417945	FALSE
"Chlorfenvinphos"	NA	NA	NA	327	NA	"3"	-0.140520115757785	2409.41143152	0.0300101050415808	FALSE
"Chlorfenvinphos"	NA	NA	NA	331	NA	"3"	0.71483882497497	12451.37509615	0.155086453753502	TRUE
"Chlorfenvinphos"	NA	NA	NA	341	NA	"3"	-0.150166105415009	1974.064373155	0.0245876974028676	FALSE
"Chlorfenvinphos"	NA	NA	NA	342	NA	"3"	0.842450324350269	114.13835049	0.00142163511082737	TRUE
"Chlorfenvinphos"	NA	NA	NA	343	NA	"3"	-0.147385439331454	393.598319057	0.0049024117444477	FALSE
"Chlorfenvinphos"	NA	NA	NA	359	NA	"3"	1	22584.7152179	0.28130092982741	TRUE
"Chlorfenvinphos"	NA	NA	NA	360	NA	"3"	-0.226912638302916	850.672736164	0.0105954416229301	FALSE
"Chlorfenvinphos"	NA	NA	NA	119	NA	"6"	0.0731250401711081	66.353376868	0.000891803512611579	TRUE
"Chlorfenvinphos"	NA	NA	NA	127	NA	"6"	0.967444814451871	20710.93127215	0.278359325927056	TRUE
"Chlorfenvinphos"	NA	NA	NA	155	NA	"6"	0.963091521050382	74403.5832217	1	TRUE
"Chlorfenvinphos"	NA	NA	NA	170	NA	"6"	0.449862694478131	251.752763748	0.00338361074624395	TRUE
"Chlorfenvinphos"	NA	NA	NA	177	NA	"6"	0.170534803208042	308.496086376	0.00414625308376313	TRUE
"Chlorfenvinphos"	NA	NA	NA	181	NA	"6"	-0.0163271234849685	354.258750916	0.00476131303865322	FALSE
"Chlorfenvinphos"	NA	NA	NA	185	NA	"6"	0.257029822176199	620.034171576	0.00833339127940232	TRUE
"Chlorfenvinphos"	NA	NA	NA	187	NA	"6"	0.089332028465713	255.646638389	0.00343594525047605	TRUE
"Chlorfenvinphos"	NA	NA	NA	195	NA	"6"	-0.00564478295778355	215.919657704	0.00290200617167355	FALSE
"Chlorfenvinphos"	NA	NA	NA	205	NA	"6"	0.920038935805411	4144.892359716	0.0557082358166203	TRUE
"Chlorfenvinphos"	NA	NA	NA	215	NA	"6"	-0.485598529136673	111.581706056	0.00149968188660377	FALSE
"Chlorfenvinphos"	NA	NA	NA	217	NA	"6"	-0.102544969577153	184.536623947	0.00248021151611929	FALSE
"Chlorfenvinphos"	NA	NA	NA	227	NA	"6"	-0.218545060535632	385.765646933	0.00518477242935378	FALSE
"Chlorfenvinphos"	NA	NA	NA	257	NA	"6"	-0.190658380546032	116.439049717	0.00156496561959989	FALSE
"Chlorfenvinphos"	NA	NA	NA	263	NA	"6"	-0.283711355460578	130.036875959	0.00174772329944822	FALSE
"Chlorfenvinphos"	NA	NA	NA	269	NA	"6"	-0.096686341821556	521.926541329	0.00701480384047927	FALSE
"Chlorfenvinphos"	NA	NA	NA	271	NA	"6"	-0.29431709758827	286.086881162	0.00384506859447277	FALSE
"Chlorfenvinphos"	NA	NA	NA	277	NA	"6"	-0.244117217731705	7365.76094096	0.0989973953137751	FALSE
"Chlorfenvinphos"	NA	NA	NA	287	NA	"6"	-0.285814972272172	1436.521243097	0.0193071513614688	FALSE
"Chlorfenvinphos"	NA	NA	NA	299	NA	"6"	0.0846894086356431	4075.071828875	0.054769833016409	TRUE
"Chlorfenvinphos"	NA	NA	NA	301	NA	"6"	0.659557765349154	184.163766389	0.00247520023115349	TRUE
"Chlorfenvinphos"	NA	NA	NA	303	NA	"6"	0.432503000199826	558.96223402	0.00751257143563184	TRUE
"Chlorfenvinphos"	NA	NA	NA	315	NA	"6"	-0.531353518553151	228.835577496	0.00307559888364704	FALSE
"Chlorfenvinphos"	NA	NA	NA	317	NA	"6"	0.102388860009693	371.096517574	0.00498761620751847	TRUE
"Chlorfenvinphos"	NA	NA	NA	327	NA	"6"	-0.0392538720434494	857.215583061	0.0115211599487992	FALSE
"Chlorfenvinphos"	NA	NA	NA	331	NA	"6"	0.927142862540353	10942.34945269	0.147067506414108	TRUE
"Chlorfenvinphos"	NA	NA	NA	341	NA	"6"	0.27843013514813	681.509114277	0.0091596275981267	TRUE
"Chlorfenvinphos"	NA	NA	NA	359	NA	"6"	1	70775.23458992	0.951234221865785	TRUE
"Chlorfenvinphos"	NA	NA	NA	360	NA	"6"	0.211699399531209	336.06626725	0.0045168021847634	TRUE
"Chlormequat"	NA	NA	NA	104	NA	"3"	0.258848039085982	1344.00603488	0.0035075545862099	TRUE
"Chlormequat"	NA	NA	NA	122	NA	"3"	1	383174.65968	1	TRUE
"Chlormequat"	NA	NA	NA	104	NA	"7"	-0.238480528781348	249.84195518	0.00659545474896182	FALSE
"Chlormequat"	NA	NA	NA	122	NA	"7"	1	37880.9293202	1	TRUE
"Desisopropylatrazine"	NA	NA	NA	79	NA	"1"	-0.00233999251843864	530.25218964	0.0010623465213357	TRUE
"Desisopropylatrazine"	NA	NA	NA	115	NA	"1"	0.0134526232413478	19215.13916	0.0384970333785257	TRUE
"Desisopropylatrazine"	NA	NA	NA	130	NA	"1"	0.263395383425939	3994.6477049	0.00800317316208218	TRUE
"Desisopropylatrazine"	NA	NA	NA	132	NA	"1"	-0.0312768712385	7326.0765379	0.0146776045005323	FALSE
"Desisopropylatrazine"	NA	NA	NA	133	NA	"1"	0.249785689081156	9816.328859	0.0196667604950881	TRUE
"Desisopropylatrazine"	NA	NA	NA	142	NA	"1"	-0.064738762712863	4465.0982056	0.0089457085492884	FALSE
"Desisopropylatrazine"	NA	NA	NA	146	NA	"1"	0.267964087777204	1514.5723649	0.00303440648544061	TRUE
"Desisopropylatrazine"	NA	NA	NA	156	NA	"1"	-0.877674937275134	2233.4023818	0.00447456379700939	FALSE
"Desisopropylatrazine"	NA	NA	NA	159	NA	"1"	-0.178626327953242	56937.500976	0.114072807764298	FALSE
"Desisopropylatrazine"	NA	NA	NA	174	NA	"1"	1	499132.98438	1	TRUE
"Dichlorvos"	NA	NA	NA	77	NA	"8"	0.673126587009387	741.86317154	0.00161896017936163	TRUE
"Dichlorvos"	NA	NA	NA	79	NA	"8"	0.878900088282318	1378.256703748	0.00300775507655178	TRUE
"Dichlorvos"	NA	NA	NA	95	NA	"8"	0.23830151975066	167.451852342	0.000365428412276191	TRUE
"Dichlorvos"	NA	NA	NA	99	NA	"8"	0.0952811367061809	779.789044359	0.00170172541184249	TRUE
"Dichlorvos"	NA	NA	NA	105	NA	"8"	0.421334905224525	170.538307904	0.000372163951715189	TRUE
"Dichlorvos"	NA	NA	NA	107	NA	"8"	0.259129043686515	193.227040286	0.000421677333233239	TRUE
"Dichlorvos"	NA	NA	NA	109	NA	"8"	0.967088540122942	63244.728942055	0.138018305315196	TRUE
"Dichlorvos"	NA	NA	NA	111	NA	"8"	0.669971084873578	362.689319128	0.000791493078068717	TRUE
"Dichlorvos"	NA	NA	NA	117	NA	"8"	0.427724412537125	150.021759756	0.000327390904954265	TRUE
"Dichlorvos"	NA	NA	NA	119	NA	"8"	0.352320220252662	842.015996927	0.00183752263450484	TRUE
"Dichlorvos"	NA	NA	NA	121	NA	"8"	0.347913703205373	778.073791986	0.00169798223466916	TRUE
"Dichlorvos"	NA	NA	NA	123	NA	"8"	0.375380270767784	270.12158084	0.000589483478548166	TRUE
"Dichlorvos"	NA	NA	NA	127	NA	"8"	0.948284758535013	7147.09441171	0.0155970287980156	TRUE
"Dichlorvos"	NA	NA	NA	133	NA	"8"	0.111433255667834	852.743870701	0.00186093396036062	TRUE
"Dichlorvos"	NA	NA	NA	135	NA	"8"	0.0748728027193132	220.929068083	0.000482131176490902	TRUE
"Dichlorvos"	NA	NA	NA	137	NA	"8"	0.453769927098964	505.667025571	0.00110351181972854	TRUE
"Dichlorvos"	NA	NA	NA	139	NA	"8"	0.467524552074558	137.935647968	0.000301015510597557	TRUE
"Dichlorvos"	NA	NA	NA	143	NA	"8"	0.278796612798532	266.444155698	0.000581458272424074	TRUE
"Dichlorvos"	NA	NA	NA	145	NA	"8"	0.994170372012309	44316.40897363	0.0967112321692371	TRUE
"Dichlorvos"	NA	NA	NA	146	NA	"8"	0.346301417994264	207.562618724	0.000452961714948885	TRUE
"Dichlorvos"	NA	NA	NA	147	NA	"8"	-0.183799172220307	819.102781302	0.00178751936557185	FALSE
"Dichlorvos"	NA	NA	NA	149	NA	"8"	0.291827272614207	273.867382537	0.000597657902107486	TRUE
"Dichlorvos"	NA	NA	NA	151	NA	"8"	-0.0612144593206886	544.88402842	0.00118909467166422	FALSE
"Dichlorvos"	NA	NA	NA	153	NA	"8"	0.459453598609755	595.225358962	0.00129895402666414	TRUE
"Dichlorvos"	NA	NA	NA	157	NA	"8"	-0.0788899965991259	259.340542296	0.000565956131775221	FALSE
"Dichlorvos"	NA	NA	NA	159	NA	"8"	0.0596826580176188	1143.682675356	0.00249584664700842	TRUE
"Dichlorvos"	NA	NA	NA	161	NA	"8"	0.106726535917086	9549.15720075	0.0208390251026838	TRUE
"Dichlorvos"	NA	NA	NA	163	NA	"8"	0.0347987341572495	754.856181158	0.00164731468729325	TRUE
"Dichlorvos"	NA	NA	NA	165	NA	"8"	-0.380495498071025	1334.653779975	0.00291260087561511	FALSE
"Dichlorvos"	NA	NA	NA	175	NA	"8"	0.149156761794573	7231.4122008	0.015781034620363	TRUE
"Dichlorvos"	NA	NA	NA	176	NA	"8"	-0.107338339253918	284.52136421	0.00062090797401014	FALSE
"Dichlorvos"	NA	NA	NA	177	NA	"8"	0.0961702542234717	389.493910798	0.000849988455926194	TRUE
"Dichlorvos"	NA	NA	NA	178	NA	"8"	0.493220332481887	482.049106835	0.00105197068462459	TRUE
"Dichlorvos"	NA	NA	NA	179	NA	"8"	-0.0861608852458405	2525.723908887	0.00551186066301337	FALSE
"Dichlorvos"	NA	NA	NA	185	NA	"8"	0.0918293472268129	668.89163876	0.00145971517255995	TRUE
"Dichlorvos"	NA	NA	NA	189	NA	"8"	-0.197479261216347	5542.6118852	0.0120955834930694	FALSE
"Dichlorvos"	NA	NA	NA	191	NA	"8"	0.387244221989	1667.67687608	0.00363935366788881	TRUE
"Dichlorvos"	NA	NA	NA	192	NA	"8"	0.819756995871118	124.725039958	0.000272186139988758	TRUE
"Dichlorvos"	NA	NA	NA	193	NA	"8"	-0.217736800465349	3528.26782225	0.00769970167745111	FALSE
"Dichlorvos"	NA	NA	NA	203	NA	"8"	-0.00105621012897679	9102.7295684	0.0198647907863461	TRUE
"Dichlorvos"	NA	NA	NA	204	NA	"8"	0.224749665606753	212.49892521	0.000463734164560272	TRUE
"Dichlorvos"	NA	NA	NA	206	NA	"8"	0.0812819184416861	745.68288134	0.00162729589179507	TRUE
"Dichlorvos"	NA	NA	NA	219	NA	"8"	0.850573767933108	128.129454139	0.000279615557170436	TRUE
"Dichlorvos"	NA	NA	NA	221	NA	"8"	1	458234.353752	1	TRUE
"Dichlorvos"	NA	NA	NA	222	NA	"8"	0.129303934081555	360.408204103	0.000786515024794618	TRUE
"Fluopyram"	NA	NA	NA	130	NA	"2"	0.988179415765439	17795.909718935	0.0154226372206749	TRUE
"Fluopyram"	NA	NA	NA	145	NA	"2"	0.928241190042729	3449.545446807	0.00298951213186528	TRUE
"Fluopyram"	NA	NA	NA	150	NA	"2"	0.988115406284376	12058.53886978	0.0104504053648994	TRUE
"Fluopyram"	NA	NA	NA	152	NA	"2"	0.714803770971941	843.962879701	0.000731411516855211	TRUE
"Fluopyram"	NA	NA	NA	170	NA	"2"	0.996118661695746	54335.19384732	0.0470890219301705	TRUE
"Fluopyram"	NA	NA	NA	172	NA	"2"	0.93623116209915	4358.1586747	0.00377695219022824	TRUE
"Fluopyram"	NA	NA	NA	173	NA	"2"	0.996725515129425	33891.795142293	0.0293719663390324	TRUE
"Fluopyram"	NA	NA	NA	190	NA	"2"	0.994751234429169	52936.742621562	0.0458770689439894	TRUE
"Fluopyram"	NA	NA	NA	208	NA	"2"	0.998926992897114	741312.313808205	0.642450487985915	TRUE
"Fluopyram"	NA	NA	NA	209	NA	"2"	0.479662731083597	434.75375842	0.000376774753431255	TRUE
"Fluopyram"	NA	NA	NA	223	NA	"2"	0.919762443227137	180.747808449	0.000156643179369186	TRUE
"Fluopyram"	NA	NA	NA	233	NA	"2"	0.447788622500763	228.889230719	0.000198364434572427	TRUE
"Fluopyram"	NA	NA	NA	239	NA	"2"	0.490523688542752	454.236178877	0.000393658987372342	TRUE
"Fluopyram"	NA	NA	NA	251	NA	"2"	0.399282659683872	207.703212752	0.000180003795840478	TRUE
"Fluopyram"	NA	NA	NA	253	NA	"2"	0.291997563579388	381.209336282	0.000330371045451865	TRUE
"Fluopyram"	NA	NA	NA	277	NA	"2"	0.472534154830253	407.468348983	0.000353128141495666	TRUE
"Fluopyram"	NA	NA	NA	293	NA	"2"	0.439013773646497	230.165272235	0.000199470302476379	TRUE
"Fluopyram"	NA	NA	NA	295	NA	"2"	0.556087836877115	396.002507198	0.000343191390799996	TRUE
"Fluopyram"	NA	NA	NA	297	NA	"2"	0.269891270141561	261.36091041	0.000226505672853008	TRUE
"Fluopyram"	NA	NA	NA	305	NA	"2"	0.13304535194746	151.392195691	0.000131202447588246	TRUE
"Fluopyram"	NA	NA	NA	307	NA	"2"	0.658489317811748	176.850197312	0.000153265355838801	TRUE
"Fluopyram"	NA	NA	NA	309	NA	"2"	0.620367265623824	877.951049335	0.0007608670051297	TRUE
"Fluopyram"	NA	NA	NA	312	NA	"2"	-0.101202655215579	313.370437142	0.000271579179938356	FALSE
"Fluopyram"	NA	NA	NA	315	NA	"2"	-0.0918425876545814	1665.552336677	0.00144343334318478	FALSE
"Fluopyram"	NA	NA	NA	317	NA	"2"	0.747044352703202	276.576972023	0.000239692511957673	TRUE
"Fluopyram"	NA	NA	NA	319	NA	"2"	0.411135022271651	205.162689204	0.000177802077937308	TRUE
"Fluopyram"	NA	NA	NA	321	NA	"2"	0.668663039963109	172.5105753	0.000149504468251542	TRUE
"Fluopyram"	NA	NA	NA	322	NA	"2"	0.457450301072192	363.92931174	0.000315395494671673	TRUE
"Fluopyram"	NA	NA	NA	323	NA	"2"	0.525525654158042	541.443225855	0.000469236053668481	TRUE
"Fluopyram"	NA	NA	NA	325	NA	"2"	-0.375139543472427	284.063552627	0.000246180677974607	FALSE
"Fluopyram"	NA	NA	NA	335	NA	"2"	0.85099649332553	354.179540117	0.000306945958059	TRUE
"Fluopyram"	NA	NA	NA	337	NA	"2"	-0.0800505936255548	6092.33305747	0.00527985610496276	FALSE
"Fluopyram"	NA	NA	NA	339	NA	"2"	0.0817418256376614	1257.39245224	0.001089705889791	TRUE
"Fluopyram"	NA	NA	NA	351	NA	"2"	0.0922108519959764	325.871292118	0.000282412913885544	TRUE
"Fluopyram"	NA	NA	NA	353	NA	"2"	0.73819712073071	219.68107702	0.000190384285413725	TRUE
"Fluopyram"	NA	NA	NA	355	NA	"2"	0.558938657015514	404.386810763	0.0003504575589405	TRUE
"Fluopyram"	NA	NA	NA	357	NA	"2"	0.962259996620823	6087.032030074	0.00527526202555257	TRUE
"Fluopyram"	NA	NA	NA	361	NA	"2"	0.552153478272702	857.635546693	0.000743260789310912	TRUE
"Fluopyram"	NA	NA	NA	365	NA	"2"	-0.00936270431495669	3128.58431621	0.00271135455760717	FALSE
"Fluopyram"	NA	NA	NA	377	NA	"2"	0.95522089194523	6353.409628619	0.00550611535819805	TRUE
"Fluopyram"	NA	NA	NA	379	NA	"2"	0.976200924337964	23757.38885012	0.0205890901523317	TRUE
"Fluopyram"	NA	NA	NA	380	NA	"2"	0.802086185702225	299.634428489	0.000259675013101082	TRUE
"Fluopyram"	NA	NA	NA	383	NA	"2"	0.514484227137365	296.36061955	0.000256837801157807	TRUE
"Fluopyram"	NA	NA	NA	397	NA	"2"	1	1153882.4044359	1	TRUE
"Fluopyram"	NA	NA	NA	398	NA	"2"	0.629183355208795	786.96763037	0.000682017185932154	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	105	NA	"3"	0.933250800122397	148.864868642	0.000349259198550838	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	111	NA	"3"	-0.136986211620653	819.476129504	0.00192261329911496	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	125	NA	"3"	0.937808762193969	1183.686924417	0.00277710617910255	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	129	NA	"3"	0.93947878913899	361.506768723	0.000848148830994743	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	130	NA	"3"	0.688489556152789	331.007312771	0.000776592555567199	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	139	NA	"3"	0.773254709339752	1538.894389073	0.00361047590264274	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	142	NA	"3"	0.570848007480712	609.52418229	0.00143003469754783	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	143	NA	"3"	0.806393964441417	697.26483626	0.00163588736624957	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	144	NA	"3"	0.617078750669289	821.504440261	0.00192737201885766	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	151	NA	"3"	0.969913176100367	8918.60934376	0.020924388541131	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	163	NA	"3"	0.943479253411026	4190.003754782	0.00983037412836093	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	165	NA	"3"	0.974027692942281	11141.070391724	0.0261386138415883	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	177	NA	"3"	0.976181868104272	5276.840125508	0.0123802544544473	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	179	NA	"3"	0.985734009124796	18898.49200271	0.0443386826650093	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	181	NA	"3"	0.815011717512525	2102.659529777	0.00493315305951243	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	183	NA	"3"	0.629817289150805	328.86962314	0.000771577216662296	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	191	NA	"3"	0.627994719460226	789.382863066	0.00185201000490732	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	193	NA	"3"	0.834581905027916	786.770006146	0.00184587985262806	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	207	NA	"3"	0.912806973260801	1817.33848199	0.00426374729985384	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	213	NA	"3"	0.533276651096227	209.824030864	0.000492278490719679	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	219	NA	"3"	0.973387546070147	5785.704654759	0.0135741265834354	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	225	NA	"3"	0.158710766132164	598.46658039	0.00140409191324474	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	234	NA	"3"	0.533892369953371	498.037124195	0.00116846942083577	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	236	NA	"3"	0.757916887845443	401.455109619	0.000941873600660352	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	237	NA	"3"	0.819617372910582	1804.698136231	0.00423409116224753	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	242	NA	"3"	0.0281666681525705	492.2943644595	0.00115499604944205	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	249	NA	"3"	0.148844380563395	668.821608301	0.00156915530856678	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	251	NA	"3"	-0.0957358039667109	294.37336396	0.000690643844375629	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	252	NA	"3"	0.571270701114537	262.84086132	0.000616663887245291	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	261	NA	"3"	0.307249106849353	301.249457372	0.000706776185714076	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	262	NA	"3"	-0.0664296147654578	356.3203392	0.000835980693306733	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	264	NA	"3"	-0.234448577231542	1060.76663015	0.00248871682402531	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	266	NA	"3"	0.442854013871549	224.958957681	0.000527787287781417	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	268	NA	"3"	0.333877814717464	167.482578998	0.00039293912556858	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	276	NA	"3"	0.814390714374443	472.387895585	0.00110829250260451	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	278	NA	"3"	0.275231308762053	379.986748698	0.000891505621983662	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	280	NA	"3"	0.650641022624376	416.402436187	0.000976942259540319	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	282	NA	"3"	0.782140125615591	155.801819332	0.000365534320145864	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	288	NA	"3"	0.702501554923525	901.789572159	0.00211573292011017	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	292	NA	"3"	-0.282700274468723	1574.001168335	0.00369284164615631	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	296	NA	"3"	-0.00403563274731662	354.472442154	0.000831645251055126	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	306	NA	"3"	0.939487898745732	6832.34144213	0.0160296926875516	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	307	NA	"3"	0.647420935806109	170.978830823	0.000401141854133558	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	324	NA	"3"	1	426230.3448547	1	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	325	NA	"3"	0.526687588803207	740.769098256	0.0017379548575044	TRUE
"Isoproturon"	NA	NA	NA	72	NA	"2"	0.993086605464471	59907.1442268	0.115787147683237	TRUE
"Isoproturon"	NA	NA	NA	120	NA	"2"	0.927282017838371	790.062006494	0.00152701363761405	TRUE
"Isoproturon"	NA	NA	NA	134	NA	"2"	0.71269989274101	432.2311039	0.000835406315999436	TRUE
"Isoproturon"	NA	NA	NA	137	NA	"2"	0.213034502535958	770.65881154	0.00148951158959186	TRUE
"Isoproturon"	NA	NA	NA	147	NA	"2"	-0.543816345969317	1151.6802063	0.00222594095999428	FALSE
"Isoproturon"	NA	NA	NA	149	NA	"2"	0.500520723996853	390.29506684	0.000754353310068573	TRUE
"Isoproturon"	NA	NA	NA	161	NA	"2"	0.400505614578046	614.84665681	0.00118836144792821	TRUE
"Isoproturon"	NA	NA	NA	162	NA	"2"	0.804730923860733	2048.22309885	0.00395875840011529	TRUE
"Isoproturon"	NA	NA	NA	165	NA	"2"	0.985177338187729	41795.7801207	0.0807819205510825	TRUE
"Isoproturon"	NA	NA	NA	174	NA	"2"	-0.672244697055266	2538.22496785	0.00490582271945875	FALSE
"Isoproturon"	NA	NA	NA	175	NA	"2"	-0.891117335203028	41310.6113296	0.0798441974933163	FALSE
"Isoproturon"	NA	NA	NA	179	NA	"2"	0.106337033555785	305.46005153	0.000590386147667693	TRUE
"Isoproturon"	NA	NA	NA	189	NA	"2"	-0.557815616548336	2256.78026215	0.00436185287873026	FALSE
"Isoproturon"	NA	NA	NA	193	NA	"2"	-0.457037805653279	900.73918538	0.00174092793819098	FALSE
"Isoproturon"	NA	NA	NA	207	NA	"2"	1	517390.275393	1	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	99	NA	"5"	0.0390122357382497	146.313006405	0.00728513388971739	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	101	NA	"5"	-0.00307888841729598	435.762945656	0.0216972604232751	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	105	NA	"5"	0.592401757892981	89.451040273	0.00445389525494049	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	111	NA	"5"	0.238541386362055	129.625732421	0.00645425064690212	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	113	NA	"5"	-0.181700362244182	214.697242755	0.0106900828412605	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	115	NA	"5"	-0.231992590984375	169.733005041	0.00845124912412097	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	125	NA	"5"	-0.250900317999769	976.859200016	0.0486392169662613	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	127	NA	"5"	-0.120496404762161	251.457530026	0.0125204301300888	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	133	NA	"5"	-0.00480587756063445	106.381536014	0.00529688885696561	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	135	NA	"5"	-0.090209154235706	265.367501262	0.0132130274961485	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	143	NA	"5"	-0.131857430656449	2027.15360119	0.100934877647263	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	145	NA	"5"	-0.00327881805976476	340.208190446	0.0169394524702548	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	155	NA	"5"	-0.103996527690727	89.39838505	0.00445127347606401	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	157	NA	"5"	0.0930278278084389	283.279369826	0.014104885054885	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	159	NA	"5"	-0.0612368257690917	11570.4075283	0.576107142306516	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	171	NA	"5"	-0.19710660695736	343.725625045	0.0171145905706306	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	173	NA	"5"	0.0378284550947032	276.705667733	0.0137775710239911	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	174	NA	"5"	-0.540544488822746	145.849533325	0.00726205690206577	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	175	NA	"5"	0.184070758387235	1172.409335654	0.0583759379542223	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	177	NA	"5"	-0.140789116062933	180.05658699	0.00896527503724966	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	183	NA	"5"	-0.260101643573225	92.657263754	0.00461353770856342	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	185	NA	"5"	0.435155306012117	212.018755439	0.0105567171262197	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	187	NA	"5"	-0.0466843753550633	941.066299451	0.0468570372453718	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	189	NA	"5"	-0.395771460619492	146.580297463	0.00729844269385517	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	190	NA	"5"	-0.103737669048405	148.989129555	0.0074183818895511	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	193	NA	"5"	-0.153009009646862	1596.369196382	0.0794855058946147	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	197	NA	"5"	-0.244011968974358	179.884572989	0.00895671021407378	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	199	NA	"5"	0.150914124088504	276.667024113	0.0137756469028716	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	201	NA	"5"	-0.10556131251179	239.864170096	0.0119431801548682	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	203	NA	"5"	-0.0442733202671276	1407.858670707	0.0700992971568763	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	205	NA	"5"	-0.206299059029665	130.40357304	0.00649298044402344	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	213	NA	"5"	0.034041946036616	282.143243319	0.0140483156908721	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	215	NA	"5"	-0.0174569064315414	4632.372268515	0.23065244185969	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	216	NA	"5"	0.11460473836849	152.968408575	0.00761651588431708	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	217	NA	"5"	-0.0749466491463488	149.235903278	0.00743066910622917	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	219	NA	"5"	-0.229702200918307	275.246332175	0.0137049086189782	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	229	NA	"5"	-0.0736331507746074	508.844859597	0.0253361134621037	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	231	NA	"5"	-0.398924747325029	548.515546309	0.027311373702427	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	233	NA	"5"	-0.0593443075085707	5883.46527449	0.292946152316215	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	239	NA	"5"	-0.250539714331339	289.00519777	0.0143899822190159	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	243	NA	"5"	-0.0531886469417714	3332.41069708	0.165925495622409	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	245	NA	"5"	-0.230543139716182	369.79291249	0.0184125181017819	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	247	NA	"5"	-0.0791167715438849	453.035788533	0.0225572999789294	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	257	NA	"5"	0.106470337603423	20083.7772675	1	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	261	NA	"5"	0.355868386838636	138.486630433	0.00689544743443765	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	275	NA	"5"	1	7538.973325	0.375376266356017	TRUE
"Methamidophos"	NA	NA	NA	94	NA	"10"	0.976908842717177	9354.73397623	0.0482149771671354	TRUE
"Methamidophos"	NA	NA	NA	100	NA	"10"	0.513584871583348	164.780854231	0.000849292469942643	TRUE
"Methamidophos"	NA	NA	NA	110	NA	"10"	0.284212959905891	434.336410282	0.0022386013496283	TRUE
"Methamidophos"	NA	NA	NA	112	NA	"10"	0.703154152581651	915.166019881	0.00471683201946947	TRUE
"Methamidophos"	NA	NA	NA	114	NA	"10"	-0.0808744594898649	205.122636803	0.00105721694225077	FALSE
"Methamidophos"	NA	NA	NA	124	NA	"10"	-0.178837358040908	522.942952646	0.00269528589328229	FALSE
"Methamidophos"	NA	NA	NA	125	NA	"10"	0.944616104231969	4800.928386691	0.0247443329904978	TRUE
"Methamidophos"	NA	NA	NA	142	NA	"10"	1	194021.3295923	1	TRUE
"Methamidophos"	NA	NA	NA	143	NA	"10"	0.462998313752461	215.166582594	0.0011089841670817	TRUE
"Metolachlor"	NA	NA	NA	176	NA	"2"	0.791796112912307	995.27586705	0.00140948787866654	TRUE
"Metolachlor"	NA	NA	NA	196	NA	"2"	0.390316117761383	165.330739505	0.000234137771263337	TRUE
"Metolachlor"	NA	NA	NA	212	NA	"2"	0.793947617278503	3303.57566825	0.00467845148748308	TRUE
"Metolachlor"	NA	NA	NA	220	NA	"2"	0.784265545338331	134.73387814	0.000190807166506454	TRUE
"Metolachlor"	NA	NA	NA	222	NA	"2"	0.837765555939223	149.329081531	0.000211476573800797	TRUE
"Metolachlor"	NA	NA	NA	224	NA	"2"	0.333881608192525	1240.410666011	0.0017566424106045	TRUE
"Metolachlor"	NA	NA	NA	238	NA	"2"	0.0957538782410419	278.464510935	0.000394355339856714	TRUE
"Metolachlor"	NA	NA	NA	240	NA	"2"	0.702714684679668	309.572997085	0.000438410496425569	TRUE
"Metolachlor"	NA	NA	NA	241	NA	"2"	0.310895385493475	198.540365455	0.000281168515985718	TRUE
"Metolachlor"	NA	NA	NA	243	NA	"2"	0.131240121206885	350.776814924	0.000496762440566436	TRUE
"Metolachlor"	NA	NA	NA	248	NA	"2"	0.61859332075056	330.1702237165	0.000467579837542316	TRUE
"Metolachlor"	NA	NA	NA	252	NA	"2"	0.917041451436126	706125.8788487	1	TRUE
"Metolachlor"	NA	NA	NA	253	NA	"2"	0.855704337813672	610.27153687	0.000864253180842224	TRUE
"Metolachlor"	NA	NA	NA	256	NA	"2"	0.912087870841402	160.856989391	0.000227802144361666	TRUE
"Metolachlor"	NA	NA	NA	266	NA	"2"	-0.228646021214337	2686.12464523	0.00380403087564158	FALSE
"Metolachlor"	NA	NA	NA	267	NA	"2"	-0.172706372060116	90.919785974	0.000128758609048913	FALSE
"Metolachlor"	NA	NA	NA	284	NA	"2"	1	27717.1231987	0.0392523826543382	TRUE
"Metolachlor"	NA	NA	NA	285	NA	"2"	0.516690728602645	786.727229625	0.00111414586717558	TRUE
"Metolachlor"	NA	NA	NA	105	NA	"6"	0.147510907385547	67.732931137	0.000302088164521329	TRUE
"Metolachlor"	NA	NA	NA	212	NA	"6"	0.56820247221881	1215.116215726	0.00541940561447594	TRUE
"Metolachlor"	NA	NA	NA	224	NA	"6"	-0.111227845735124	339.173356055	0.00151270962093686	FALSE
"Metolachlor"	NA	NA	NA	252	NA	"6"	0.993045070992658	224215.7723866	1	TRUE
"Metolachlor"	NA	NA	NA	266	NA	"6"	-0.146787460104817	628.791106722	0.00280440176009482	FALSE
"Metolachlor"	NA	NA	NA	284	NA	"6"	1	155026.670419	0.691417328802802	TRUE
"Metolachlor"	NA	NA	NA	285	NA	"6"	0.118321686070868	459.575310689	0.00204970107944318	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	72	NA	"1"	0.831213054372806	1933.43451305	0.00181816864864583	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	91	NA	"1"	0.822308544953969	1277.57458017	0.00120140921882462	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	100	NA	"1"	0.904831380805312	4819.97843154	0.0045326250318924	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	119	NA	"1"	0.996276922706082	196757.537712	0.185027413154208	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	159	NA	"1"	0.318506076968014	5745.2918091	0.00540277385870641	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	160	NA	"1"	-0.60812844929883	81418.296387	0.076564369218524	FALSE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	174	NA	"1"	-0.0254778159834255	6464.1887357	0.00607881219604324	FALSE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	178	NA	"1"	0.189033868824133	1156.2770652	0.00108734311656538	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	192	NA	"1"	1	1063396.68462	1	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	193	NA	"1"	0.843516913487705	669.860601479	0.000629925418394897	TRUE
"Nigericin"	NA	NA	NA	303	NA	"8"	0.69388156788724	256.771903521	2.6267948084131e-05	TRUE
"Nigericin"	NA	NA	NA	345	NA	"8"	0.488441108859454	170.187350269	1.74102867959473e-05	TRUE
"Nigericin"	NA	NA	NA	361	NA	"8"	-0.298158261851774	270.481686601	2.76704686296107e-05	FALSE
"Nigericin"	NA	NA	NA	377	NA	"8"	0.921913240362568	212.930380819	2.17829291764015e-05	TRUE
"Nigericin"	NA	NA	NA	399	NA	"8"	-0.00219607480717936	155.459186543	1.59035851871495e-05	TRUE
"Nigericin"	NA	NA	NA	419	NA	"8"	-0.128312924215981	334.087566385	3.41773953030539e-05	FALSE
"Nigericin"	NA	NA	NA	485	NA	"8"	-0.153312907002539	192.458596704	1.96886511228122e-05	FALSE
"Nigericin"	NA	NA	NA	491	NA	"8"	-0.422922944471844	124.569573874	1.27435558739663e-05	FALSE
"Nigericin"	NA	NA	NA	501	NA	"8"	0.330721867433802	1962.279740704	0.000200742611043264	TRUE
"Nigericin"	NA	NA	NA	502	NA	"8"	0.746783956260905	200.27525187	2.04883004975159e-05	TRUE
"Nigericin"	NA	NA	NA	507	NA	"8"	-0.354836880533629	218.69433498	2.23725857805091e-05	FALSE
"Nigericin"	NA	NA	NA	509	NA	"8"	-0.728921794848418	199.1876421	2.03770372456477e-05	FALSE
"Nigericin"	NA	NA	NA	523	NA	"8"	0.0880948030696946	240.14782524	2.45672930699186e-05	TRUE
"Nigericin"	NA	NA	NA	525	NA	"8"	0.117962948439402	576.361316696	5.89621720175225e-05	TRUE
"Nigericin"	NA	NA	NA	559	NA	"8"	0.84810344800213	103.529180519	1.05911086913109e-05	TRUE
"Nigericin"	NA	NA	NA	567	NA	"8"	-0.752351991905382	249.41364288	2.55151927948768e-05	FALSE
"Nigericin"	NA	NA	NA	568	NA	"8"	-0.532840101817629	259.228322029	2.65192414419954e-05	FALSE
"Nigericin"	NA	NA	NA	573	NA	"8"	0.244836394250901	221.88957263	2.26994608612938e-05	TRUE
"Nigericin"	NA	NA	NA	580	NA	"8"	0.992118727855313	194.64446546	1.99122670489084e-05	TRUE
"Nigericin"	NA	NA	NA	583	NA	"8"	-0.188987118257525	7100.821918505	0.000726419125115431	FALSE
"Nigericin"	NA	NA	NA	589	NA	"8"	-0.259152968299446	295.832520469	3.0263876937929e-05	FALSE
"Nigericin"	NA	NA	NA	597	NA	"8"	-0.0565070203738975	733.689611459	7.50569683029789e-05	FALSE
"Nigericin"	NA	NA	NA	599	NA	"8"	0.972283168725802	643.235493679	6.58034478154985e-05	TRUE
"Nigericin"	NA	NA	NA	605	NA	"8"	0.429575707714564	667.355635634	6.82709554671057e-05	TRUE
"Nigericin"	NA	NA	NA	607	NA	"8"	0.386766245051255	160.19072342	1.63876247699032e-05	TRUE
"Nigericin"	NA	NA	NA	641	NA	"8"	-0.367379921280677	128.127842899	1.31075693222306e-05	FALSE
"Nigericin"	NA	NA	NA	643	NA	"8"	-0.327136371457191	200.36151887	2.04971256728809e-05	FALSE
"Nigericin"	NA	NA	NA	649	NA	"8"	0.0943387745709055	318.911627299	3.26248859569277e-05	TRUE
"Nigericin"	NA	NA	NA	659	NA	"8"	-0.44098780723767	191.511249542	1.95917368353539e-05	FALSE
"Nigericin"	NA	NA	NA	662	NA	"8"	0.545210082812083	564.714775576	5.77707225898213e-05	TRUE
"Nigericin"	NA	NA	NA	663	NA	"8"	0.781327728555262	298.1920786	3.05052614104381e-05	TRUE
"Nigericin"	NA	NA	NA	665	NA	"8"	0.175836851592496	7548.058466541	0.000772171741597377	TRUE
"Nigericin"	NA	NA	NA	666	NA	"8"	0.677134729766668	281.057827949	2.87524154004613e-05	TRUE
"Nigericin"	NA	NA	NA	669	NA	"8"	0.492874926182605	356.941339497	3.65153525226741e-05	TRUE
"Nigericin"	NA	NA	NA	673	NA	"8"	0.468263078612871	302.894679066	3.09863407777965e-05	TRUE
"Nigericin"	NA	NA	NA	686	NA	"8"	0.979254974248858	2607.612306107	0.000266760590785424	TRUE
"Nigericin"	NA	NA	NA	687	NA	"8"	0.115882523363508	3219.00846012	0.00032930685154147	TRUE
"Nigericin"	NA	NA	NA	688	NA	"8"	-0.0312413984218769	432.271391383	4.4221670328409e-05	FALSE
"Nigericin"	NA	NA	NA	689	NA	"8"	0.303565798366849	331.674744123	3.39305618721164e-05	TRUE
"Nigericin"	NA	NA	NA	690	NA	"8"	0.917857589616908	218.260694507	2.2328224052159e-05	TRUE
"Nigericin"	NA	NA	NA	698	NA	"8"	0.996559990627632	785.784382825	8.03863004103169e-05	TRUE
"Nigericin"	NA	NA	NA	701	NA	"8"	-0.762539621315271	315.705478664	3.22968946746288e-05	FALSE
"Nigericin"	NA	NA	NA	703	NA	"8"	0.888427798130252	2052.161657913	0.000209937595005967	TRUE
"Nigericin"	NA	NA	NA	704	NA	"8"	0.976064645824982	20306.616162854	0.00207738125478592	TRUE
"Nigericin"	NA	NA	NA	705	NA	"8"	0.460902244572369	318.047350886	3.25364698660871e-05	TRUE
"Nigericin"	NA	NA	NA	706	NA	"8"	-0.0507438235593349	253.04758263	2.58869474120484e-05	FALSE
"Nigericin"	NA	NA	NA	711	NA	"8"	0.582341602837042	280.26337147	2.86711419384535e-05	TRUE
"Nigericin"	NA	NA	NA	715	NA	"8"	0.228528344235473	1563.55045611	0.000159952322060259	TRUE
"Nigericin"	NA	NA	NA	716	NA	"8"	0.996781845725518	2603.190510313	0.000266308237935432	TRUE
"Nigericin"	NA	NA	NA	717	NA	"8"	0.107960596669131	379.933180811	3.88674342174119e-05	TRUE
"Nigericin"	NA	NA	NA	729	NA	"8"	0.999145606196272	21682.60615534	0.002218146008216	TRUE
"Nigericin"	NA	NA	NA	730	NA	"8"	0.955282483269449	859696.24143705	0.0879475360369561	TRUE
"Nigericin"	NA	NA	NA	731	NA	"8"	0.874035041277187	1660.164900783	0.000169836048363826	TRUE
"Nigericin"	NA	NA	NA	732	NA	"8"	-0.745052004293459	456.192295545	4.66687958122979e-05	FALSE
"Nigericin"	NA	NA	NA	738	NA	"8"	-0.369885793196866	289.26318264	2.95918290126186e-05	FALSE
"Nigericin"	NA	NA	NA	747	NA	"8"	1	3244089.5208734	0.331872661868578	TRUE
"Nigericin"	NA	NA	NA	748	NA	"8"	-0.0779329807538978	9775103.20557247	1	FALSE
"Nigericin"	NA	NA	NA	749	NA	"8"	0.660672365160515	19038.053184765	0.00194760636122103	TRUE
"Omethoate"	NA	NA	NA	88	NA	"2"	0.837631756199775	429.379247656	0.00784836708858288	TRUE
"Omethoate"	NA	NA	NA	125	NA	"2"	0.548807659284321	307.230954691	0.00561569131846479	TRUE
"Omethoate"	NA	NA	NA	141	NA	"2"	0.233106246919951	2547.8089448	0.0465698796099839	TRUE
"Omethoate"	NA	NA	NA	154	NA	"2"	0.523937302026516	1394.67151636	0.0254923685486383	TRUE
"Omethoate"	NA	NA	NA	155	NA	"2"	0.872926704493106	3686.16078187	0.0673771336681627	TRUE
"Omethoate"	NA	NA	NA	158	NA	"2"	-0.123269295641998	5749.6453247	0.10509433649563	FALSE
"Omethoate"	NA	NA	NA	172	NA	"2"	-0.631790695963711	180.908488267	0.0033067183221149	FALSE
"Omethoate"	NA	NA	NA	173	NA	"2"	0.562650313404861	570.920797354	0.0104355206279798	TRUE
"Omethoate"	NA	NA	NA	182	NA	"2"	0.211300127108905	2353.4972763	0.0430181725530914	TRUE
"Omethoate"	NA	NA	NA	183	NA	"2"	0.989920907401226	54709.3736582	1	TRUE
"Omethoate"	NA	NA	NA	196	NA	"2"	0.964719396165272	12714.1094668	0.232393621360613	TRUE
"Omethoate"	NA	NA	NA	214	NA	"2"	1	20372.4348769	0.37237558236689	TRUE
"Prochloraz"	NA	NA	NA	202	NA	"1"	0.110771379792084	320.311538685	0.00111224181016321	TRUE
"Prochloraz"	NA	NA	NA	238	NA	"1"	0.362075322645066	257.66075992	0.000894694806181419	TRUE
"Prochloraz"	NA	NA	NA	244	NA	"1"	0.116711108766966	894.255809314	0.00310519160247456	TRUE
"Prochloraz"	NA	NA	NA	245	NA	"1"	-0.33165515456703	179.53681564	0.000623419167595921	FALSE
"Prochloraz"	NA	NA	NA	266	NA	"1"	0.187426096999297	6848.746319913	0.0237814161659027	TRUE
"Prochloraz"	NA	NA	NA	280	NA	"1"	0.197004643465757	2133.000283721	0.00740657706676483	TRUE
"Prochloraz"	NA	NA	NA	291	NA	"1"	-0.478570735237658	389.368725297	0.00135203426521318	FALSE
"Prochloraz"	NA	NA	NA	294	NA	"1"	-0.0104641890032387	1008.16582397	0.00350072990064777	FALSE
"Prochloraz"	NA	NA	NA	303	NA	"1"	0.726379019581865	206.674549112	0.000717651557489022	TRUE
"Prochloraz"	NA	NA	NA	308	NA	"1"	0.213578908908872	287987.3205252	1	TRUE
"Prochloraz"	NA	NA	NA	310	NA	"1"	-0.104795573407594	261.194522859	0.000906965356608971	FALSE
"Prochloraz"	NA	NA	NA	315	NA	"1"	-0.719137147882456	338.202372563	0.00117436549618304	FALSE
"Prochloraz"	NA	NA	NA	316	NA	"1"	-0.414325790160877	2865.441486445	0.00994988765900984	FALSE
"Prochloraz"	NA	NA	NA	318	NA	"1"	-0.0146190767976322	199.611021524	0.000693124340196544	FALSE
"Prochloraz"	NA	NA	NA	330	NA	"1"	-0.100952287856643	276.492937091	0.000960087189209449	FALSE
"Prochloraz"	NA	NA	NA	332	NA	"1"	0.0730849767291783	376.843055239	0.00130854044043243	TRUE
"Prochloraz"	NA	NA	NA	334	NA	"1"	0.256923538184557	113.467085369	0.000394000281547365	TRUE
"Prochloraz"	NA	NA	NA	335	NA	"1"	-0.432559277132849	215.835879809	0.000749463134055284	FALSE
"Prochloraz"	NA	NA	NA	340	NA	"1"	0.164051069587271	381.260290641	0.00132387873863925	TRUE
"Prochloraz"	NA	NA	NA	344	NA	"1"	0.0951799660822054	1388.246995462	0.00482051429531782	TRUE
"Prochloraz"	NA	NA	NA	358	NA	"1"	-0.338701570029738	811.082062751	0.00281638115619756	FALSE
"Prochloraz"	NA	NA	NA	359	NA	"1"	0.0947541243923221	228.147804732	0.000792214755552185	TRUE
"Prochloraz"	NA	NA	NA	376	NA	"1"	1	10308.57720772	0.035795246780033	TRUE
"Prochloraz"	NA	NA	NA	377	NA	"1"	-0.0914354549210393	369.333282477	0.00128246369251066	FALSE
"Prochloraz"	NA	NA	NA	136	NA	"7"	0.944908525655583	143.928166396	0.000949178809656671	TRUE
"Prochloraz"	NA	NA	NA	202	NA	"7"	0.227219474826345	394.165222649	0.00259944447435434	TRUE
"Prochloraz"	NA	NA	NA	233	NA	"7"	-0.160181971496585	190.591785906	0.00125691648137069	FALSE
"Prochloraz"	NA	NA	NA	234	NA	"7"	-0.215390395430049	278.200731283	0.00183468076872653	FALSE
"Prochloraz"	NA	NA	NA	238	NA	"7"	0.171437804200547	205.77438355	0.00135704281744572	TRUE
"Prochloraz"	NA	NA	NA	244	NA	"7"	-0.0722661579933315	872.686310784	0.0057551997945598	FALSE
"Prochloraz"	NA	NA	NA	266	NA	"7"	-0.248405378950945	4327.34904575	0.0285380417125085	FALSE
"Prochloraz"	NA	NA	NA	280	NA	"7"	-0.310554448197158	1298.919650077	0.00856612738265254	FALSE
"Prochloraz"	NA	NA	NA	293	NA	"7"	0.749156351291992	200.444505207	0.00132189328620453	TRUE
"Prochloraz"	NA	NA	NA	294	NA	"7"	0.368691768696427	1575.694126647	0.0103914022735398	TRUE
"Prochloraz"	NA	NA	NA	304	NA	"7"	-0.0471320285371403	809.598223213	0.00533914588820071	FALSE
"Prochloraz"	NA	NA	NA	308	NA	"7"	-0.181127485034532	151634.4074812	1	FALSE
"Prochloraz"	NA	NA	NA	310	NA	"7"	0.972222645802573	105.641312124	0.000696684307201831	TRUE
"Prochloraz"	NA	NA	NA	315	NA	"7"	0.245209450661914	440.677309527	0.00290618281725825	TRUE
"Prochloraz"	NA	NA	NA	316	NA	"7"	0.0468248391732196	2305.138855487	0.0152019511519692	TRUE
"Prochloraz"	NA	NA	NA	334	NA	"7"	-0.117192670406485	201.20180177	0.00132688751261778	FALSE
"Prochloraz"	NA	NA	NA	344	NA	"7"	0.0172168957967989	697.322455414	0.0045987086110417	TRUE
"Prochloraz"	NA	NA	NA	358	NA	"7"	-0.02670740410531	305.289077308	0.00201332324489645	FALSE
"Prochloraz"	NA	NA	NA	360	NA	"7"	0.955423389695647	135.6890707	0.000894843544772799	TRUE
"Prochloraz"	NA	NA	NA	376	NA	"7"	1	375.156909479	0.00247408827396587	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	113	NA	"5"	-0.366092969375946	527.826451544	0.0576739280872289	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	128	NA	"5"	0.382005468968477	236.805536746	0.0258749925415739	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	129	NA	"5"	0.0354255654285688	209.208140355	0.0228595122635519	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	130	NA	"5"	0.343557987221976	354.06029941	0.038687049856979	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	131	NA	"5"	0.504235767820085	318.10253716	0.0347580588257077	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	140	NA	"5"	0.133841907512124	1235.91298662	0.135044305763544	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	144	NA	"5"	-0.125957159650464	305.941217187	0.033429229829895	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	155	NA	"5"	-0.357274519521877	9151.9074398	1	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	157	NA	"5"	-0.0351539509074643	2257.3347168	0.246651829866991	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	172	NA	"5"	1	7086.8286743	0.774355370278403	TRUE
"Rifaximin"	NA	NA	NA	346	NA	"8"	0.728429173484556	176.740460381	0.000392943004325989	TRUE
"Rifaximin"	NA	NA	NA	347	NA	"8"	0.551480939860562	845.098484031	0.00187888804041035	TRUE
"Rifaximin"	NA	NA	NA	348	NA	"8"	0.179348753684697	167.926384926	0.00037334687290154	TRUE
"Rifaximin"	NA	NA	NA	360	NA	"8"	0.200163985279701	229.001089096	0.000509132859274702	TRUE
"Rifaximin"	NA	NA	NA	361	NA	"8"	0.700514149024748	256.791428577	0.000570918482461169	TRUE
"Rifaximin"	NA	NA	NA	362	NA	"8"	0.908194936508141	4488.974861598	0.00998023465966812	TRUE
"Rifaximin"	NA	NA	NA	388	NA	"8"	0.63244225649038	458.896043769	0.00102025302934701	TRUE
"Rifaximin"	NA	NA	NA	456	NA	"8"	0.766811495693977	248.79816724	0.000553147248204154	TRUE
"Rifaximin"	NA	NA	NA	494	NA	"8"	0.51297218010457	561.101913887	0.00124748499183791	TRUE
"Rifaximin"	NA	NA	NA	512	NA	"8"	0.562289965734367	950.848405878	0.00211399941167317	TRUE
"Rifaximin"	NA	NA	NA	570	NA	"8"	0.338156532760222	482.596581437	0.00107294589014035	TRUE
"Rifaximin"	NA	NA	NA	622	NA	"8"	0.186144048287016	595.90526104	0.0013248624738328	TRUE
"Rifaximin"	NA	NA	NA	624	NA	"8"	0.823777819004196	345.76896097	0.000768740185656059	TRUE
"Rifaximin"	NA	NA	NA	640	NA	"8"	0.305127871832912	242.34437657	0.000538798683706279	TRUE
"Rifaximin"	NA	NA	NA	658	NA	"8"	0.600134887843284	633.800680162	0.00140911448838505	TRUE
"Rifaximin"	NA	NA	NA	672	NA	"8"	-0.108595525134696	256.3156743	0.000569860748909257	FALSE
"Rifaximin"	NA	NA	NA	676	NA	"8"	0.851831244395334	3521.297128727	0.00782881899200492	TRUE
"Rifaximin"	NA	NA	NA	677	NA	"8"	0.663026015501381	1354.23228747	0.00301083352644092	TRUE
"Rifaximin"	NA	NA	NA	690	NA	"8"	0.538589896436938	329.921241745	0.000733506315660688	TRUE
"Rifaximin"	NA	NA	NA	691	NA	"8"	-0.143300097159239	199.258279815	0.000443006354846814	FALSE
"Rifaximin"	NA	NA	NA	694	NA	"8"	0.976250294569171	13176.79045907	0.029295655444143	TRUE
"Rifaximin"	NA	NA	NA	695	NA	"8"	0.485090629105654	2340.68678512	0.0052039951437745	TRUE
"Rifaximin"	NA	NA	NA	701	NA	"8"	0.396844712081517	259.470815652	0.000576875502176593	TRUE
"Rifaximin"	NA	NA	NA	703	NA	"8"	0.338525737242399	180.17039776	0.00040056870528574	TRUE
"Rifaximin"	NA	NA	NA	704	NA	"8"	0.184179884919558	1021.845474262	0.00227184556240179	TRUE
"Rifaximin"	NA	NA	NA	708	NA	"8"	0.161277644177134	765.49311641	0.00170190325579431	TRUE
"Rifaximin"	NA	NA	NA	709	NA	"8"	0.603627393944018	566.135319689	0.00125867564729714	TRUE
"Rifaximin"	NA	NA	NA	718	NA	"8"	0.886076915189961	1544.86607077	0.00343466523636434	TRUE
"Rifaximin"	NA	NA	NA	719	NA	"8"	0.631861760218661	625.064932854	0.00138969250212996	TRUE
"Rifaximin"	NA	NA	NA	726	NA	"8"	0.436210154679794	780.54448371	0.00173536661485384	TRUE
"Rifaximin"	NA	NA	NA	727	NA	"8"	0.683818622475658	367.037548538	0.000816026147674741	TRUE
"Rifaximin"	NA	NA	NA	728	NA	"8"	0.456657852307783	308.91019535	0.000686792939014015	TRUE
"Rifaximin"	NA	NA	NA	736	NA	"8"	0.963587972826795	20359.23705387	0.0452642239161706	TRUE
"Rifaximin"	NA	NA	NA	737	NA	"8"	0.475488850792648	10027.19182742	0.0222932251795978	TRUE
"Rifaximin"	NA	NA	NA	750	NA	"8"	0.24587454682353	431.02099704	0.000958279078482518	TRUE
"Rifaximin"	NA	NA	NA	751	NA	"8"	0.648035546708184	363.814557991	0.000808860546851238	TRUE
"Rifaximin"	NA	NA	NA	754	NA	"8"	0.985440295816136	182701.2351504	0.406195457900849	TRUE
"Rifaximin"	NA	NA	NA	755	NA	"8"	0.060221206927448	15844.77037246	0.0352273138792795	TRUE
"Rifaximin"	NA	NA	NA	768	NA	"8"	0.894497716561007	4371.18513866	0.00971835547529683	TRUE
"Rifaximin"	NA	NA	NA	769	NA	"8"	0.727989068923473	3834.252394655	0.00852460524348515	TRUE
"Rifaximin"	NA	NA	NA	786	NA	"8"	1	449786.5044936	1	TRUE
"Rifaximin"	NA	NA	NA	787	NA	"8"	0.502031583649476	1585.108786094	0.00352413594062504	TRUE
"Spinosad A (Spinosyn A)"	NA	NA	NA	650	NA	"10"	-0.319972463486621	301.336536892	0.000725005400459278	FALSE
"Spinosad A (Spinosyn A)"	NA	NA	NA	672	NA	"10"	-0.0751124332871545	147.356142516	0.000354533838534279	FALSE
"Spinosad A (Spinosyn A)"	NA	NA	NA	714	NA	"10"	0.297354389109674	156.982562536	0.000377694675827935	TRUE
"Spinosad A (Spinosyn A)"	NA	NA	NA	732	NA	"10"	1	391698.27023234	0.94241264002707	TRUE
"Spinosad A (Spinosyn A)"	NA	NA	NA	733	NA	"10"	-0.252914244331709	415633.506593342	1	FALSE
"TCMTB"	NA	NA	NA	81	NA	"4"	0.37122794225711	225.766800173	0.00370523391040966	TRUE
"TCMTB"	NA	NA	NA	133	NA	"4"	0.852030361970682	108.790925507	0.00178545218351194	TRUE
"TCMTB"	NA	NA	NA	139	NA	"4"	-0.433048450364907	146.048198231	0.00239691015784902	FALSE
"TCMTB"	NA	NA	NA	157	NA	"4"	-0.228697268192068	531.528373955	0.00872332404061995	FALSE
"TCMTB"	NA	NA	NA	167	NA	"4"	0.150333851615877	212.684405793	0.00349052859833993	TRUE
"TCMTB"	NA	NA	NA	179	NA	"4"	-0.17837964882576	1037.96452143	0.0170348401078349	FALSE
"TCMTB"	NA	NA	NA	180	NA	"4"	0.789611889046075	20869.9768059	0.342513362068421	TRUE
"TCMTB"	NA	NA	NA	193	NA	"4"	-0.166605827659421	150.142760278	0.00246410918858868	FALSE
"TCMTB"	NA	NA	NA	195	NA	"4"	-0.182545269304725	161.612817282	0.00265235318253724	FALSE
"TCMTB"	NA	NA	NA	197	NA	"4"	-0.242749284253616	110.914985894	0.00182031178451457	FALSE
"TCMTB"	NA	NA	NA	203	NA	"4"	-0.312531258837773	175.738325112	0.00288417783777161	FALSE
"TCMTB"	NA	NA	NA	206	NA	"4"	-0.0611854467140295	132.843214032	0.00218019292926153	FALSE
"TCMTB"	NA	NA	NA	207	NA	"4"	-0.101127912669245	1589.964396964	0.0260941378247854	FALSE
"TCMTB"	NA	NA	NA	209	NA	"4"	-0.156399927520568	1072.447051034	0.0176007596226065	FALSE
"TCMTB"	NA	NA	NA	211	NA	"4"	0.17680025099723	170.462800996	0.0027975971233583	TRUE
"TCMTB"	NA	NA	NA	212	NA	"4"	0.793502338978203	8421.26882924	0.138207968624554	TRUE
"TCMTB"	NA	NA	NA	221	NA	"4"	-0.0518016280736369	625.5821654935	0.010266913698373	FALSE
"TCMTB"	NA	NA	NA	223	NA	"4"	-0.122424017975061	256.69197036	0.00421277084309532	FALSE
"TCMTB"	NA	NA	NA	225	NA	"4"	0.390061336386313	194.082402714	0.00318523671061755	TRUE
"TCMTB"	NA	NA	NA	239	NA	"4"	1	60931.861694	1	TRUE
"TCMTB"	NA	NA	NA	81	NA	"9"	0.199905171881859	504.416463383	0.00917134682541392	TRUE
"TCMTB"	NA	NA	NA	89	NA	"9"	-0.199107007659055	149.391085399	0.00271624254218471	FALSE
"TCMTB"	NA	NA	NA	99	NA	"9"	-0.0338812622433734	125.761179447	0.00228660140500962	FALSE
"TCMTB"	NA	NA	NA	109	NA	"9"	0.126483758021084	210.522521964	0.00382773998006215	TRUE
"TCMTB"	NA	NA	NA	119	NA	"9"	-0.79394237724823	127.158565038	0.00231200879916552	FALSE
"TCMTB"	NA	NA	NA	121	NA	"9"	-0.821911171544641	157.729379176	0.00286785017142061	FALSE
"TCMTB"	NA	NA	NA	123	NA	"9"	0.0805464330600702	205.188810103	0.00373076193732346	TRUE
"TCMTB"	NA	NA	NA	125	NA	"9"	0.0321761514069641	122.26306915	0.00222299843980867	TRUE
"TCMTB"	NA	NA	NA	133	NA	"9"	-0.199696627444678	412.972375868	0.00750870196226088	FALSE
"TCMTB"	NA	NA	NA	135	NA	"9"	-0.00914152198049568	188.844723215	0.00343359223673672	FALSE
"TCMTB"	NA	NA	NA	139	NA	"9"	0.0356119841376918	204.951471794	0.00372644663022147	TRUE
"TCMTB"	NA	NA	NA	147	NA	"9"	0.368323214591474	192.940634707	0.00350806447859693	TRUE
"TCMTB"	NA	NA	NA	149	NA	"9"	0.217409002829919	126.687723869	0.00230344792145027	TRUE
"TCMTB"	NA	NA	NA	151	NA	"9"	-0.491987609751591	238.69669676	0.00434000543397092	FALSE
"TCMTB"	NA	NA	NA	153	NA	"9"	-0.323263979793048	164.52813863	0.00299146584509828	FALSE
"TCMTB"	NA	NA	NA	157	NA	"9"	0.0235401472310745	524.488719947	0.00953630245212462	TRUE
"TCMTB"	NA	NA	NA	161	NA	"9"	-0.208033920560992	241.425545684	0.00438962161768608	FALSE
"TCMTB"	NA	NA	NA	163	NA	"9"	-0.101839082838135	132.498260018	0.00240909562752766	FALSE
"TCMTB"	NA	NA	NA	165	NA	"9"	-0.139851929152631	231.5828352	0.00421066054463649	FALSE
"TCMTB"	NA	NA	NA	167	NA	"9"	-0.146067756874238	119.464797018	0.00217211999689992	FALSE
"TCMTB"	NA	NA	NA	175	NA	"9"	-0.304775982977829	383.484092949	0.00697254327282744	FALSE
"TCMTB"	NA	NA	NA	177	NA	"9"	0.511849259901944	181.200629236	0.00329460661248235	TRUE
"TCMTB"	NA	NA	NA	179	NA	"9"	-0.183784064101631	1750.86946875	0.0318344707391953	FALSE
"TCMTB"	NA	NA	NA	180	NA	"9"	0.0824682602917446	54999.170022145	1	TRUE
"TCMTB"	NA	NA	NA	181	NA	"9"	-0.186412259346711	596.373793601	0.010843323514898	FALSE
"TCMTB"	NA	NA	NA	183	NA	"9"	0.22178450880952	494.953159792	0.0089992841636103	TRUE
"TCMTB"	NA	NA	NA	193	NA	"9"	0.193475698040205	809.099626569	0.0147111242995707	TRUE
"TCMTB"	NA	NA	NA	195	NA	"9"	-0.404056320613755	725.98131943	0.0131998595458384	FALSE
"TCMTB"	NA	NA	NA	196	NA	"9"	0.174130986610192	133.296440371	0.00242360821658453	TRUE
"TCMTB"	NA	NA	NA	197	NA	"9"	0.106256782096321	523.726283058	0.00952243975403857	TRUE
"TCMTB"	NA	NA	NA	198	NA	"9"	-0.00716378372760408	208.4981954115	0.00379093348731535	FALSE
"TCMTB"	NA	NA	NA	203	NA	"9"	-0.144194753912229	459.324955954	0.00835148886372388	FALSE
"TCMTB"	NA	NA	NA	206	NA	"9"	0.325500568016324	152.820631021	0.00277859885811855	TRUE
"TCMTB"	NA	NA	NA	207	NA	"9"	-0.425345150875628	3160.93913257	0.0574724878811311	FALSE
"TCMTB"	NA	NA	NA	209	NA	"9"	0.212622900608598	3198.85811233	0.0581619342808629	TRUE
"TCMTB"	NA	NA	NA	211	NA	"9"	-0.529929003540618	578.71673209	0.0105222811881886	FALSE
"TCMTB"	NA	NA	NA	212	NA	"9"	-0.0150310618117631	20718.67312981	0.376708832541796	FALSE
"TCMTB"	NA	NA	NA	219	NA	"9"	0.0614914753429088	123.263058663	0.00224118034169187	TRUE
"TCMTB"	NA	NA	NA	221	NA	"9"	0.209076519592657	2733.66568752	0.0497037625553133	TRUE
"TCMTB"	NA	NA	NA	223	NA	"9"	0.0847402042583731	543.135544781	0.0098753407471842	TRUE
"TCMTB"	NA	NA	NA	225	NA	"9"	0.382588834038783	381.507453195	0.00693660382586481	TRUE
"TCMTB"	NA	NA	NA	239	NA	"9"	1	27067.5244917	0.492144235645765	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	79	NA	"4"	0.0521595798449914	279.873629576	0.00690652095555926	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	109	NA	"4"	0.922563790701349	9640.82224867	0.237909305675332	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	125	NA	"4"	-0.441808918074544	178.089407913	0.00439476284199285	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	127	NA	"4"	0.769422232032552	1076.07612804	0.0265546358881489	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	140	NA	"4"	0.348604833045235	1970.98268515	0.0486384988777101	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	145	NA	"4"	0.820960207936605	4235.84716059	0.104529202066952	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	185	NA	"4"	0.31275352450403	348.909767164	0.00861014530796692	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	187	NA	"4"	-0.260474354038597	107.324927324	0.00264848767902871	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	197	NA	"4"	-0.0360245652498858	2081.96281053	0.0513771869161251	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	199	NA	"4"	0.34691746641912	144.142693995	0.00355705015215411	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	201	NA	"4"	0.095844899247823	127.383673675	0.00314348305328139	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	211	NA	"4"	0.589929547507267	156.726169586	0.00386757614917167	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	213	NA	"4"	0.214402092378455	334.711538323	0.00825977158690306	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	215	NA	"4"	0.177739314274526	412.352368363	0.0101757363760497	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	221	NA	"4"	0.950607639404665	40523.0985871	1	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	225	NA	"4"	-0.377401610724356	503.974612244	0.012436724480996	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	227	NA	"4"	0.163495046198974	177.141063216	0.00437136027086513	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	229	NA	"4"	0.602334206324447	1013.548554406	0.0250116252148756	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	239	NA	"4"	-0.216616311827602	1313.5219316555	0.0324141533459547	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	257	NA	"4"	1	25290.7478033	0.624106958379313	TRUE

6:77abacd33c31

"compoundName"	"inchikey"	"elemcomposition"	"fragment"	"fragment_mz"	"ppm"	"fileid"	"CorWithPrecursor"	"AbsoluteIntensity"	"relativeIntensity"	"corValid"
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	83.995	NA	"7"	0.601436519480403	406.383798606	0.00344160476662782	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	122.888	NA	"7"	-0.167860259307508	295.871994004	0.00250569650751035	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	125.993	NA	"7"	0.907929868611774	430.137959956	0.00364277527394095	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	137.011	NA	"7"	0.676403388268515	430.806630151	0.00364843814371653	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	145.902	NA	"7"	-0.125051837812104	538.358772757	0.00455928145962519	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	148.003	NA	"7"	0.1558553290912	143.310915941	0.00121367912083162	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	148.956	NA	"7"	-0.276972713799663	617.416199707	0.00522880720932724	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	149.919	NA	"7"	-0.410733329402461	5080.527405	0.0430262411887723	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	150.92	NA	"7"	-0.243340932574313	218.539256565	0.00185077690023418	FALSE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	154.063	NA	"7"	0.991757449276389	16836.882397703	0.14258908675458	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	163.93	NA	"7"	0.146040591250743	1829.10214243	0.0154903976822645	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	180.131	NA	"7"	0.39213526382476	209.753137589	0.00177636854770712	TRUE
"2-diethylamino-6-methyl pyrimidin-4-ol one"	NA	NA	NA	182.099	NA	"7"	1	118079.7407496	1	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	131.953	NA	"1"	0.710501933879621	105.532976149	6.84594522892331e-05	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	143.959	NA	"1"	0.276479394498518	203.085251814	0.00013174180824369	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	146.026	NA	"1"	0.604633971720309	166.134730821	0.000107771931516144	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	156.031	NA	"1"	0.191791879044897	459.381193152	0.000298001496998986	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	157.917	NA	"1"	-0.331971393756239	13878.1056368	0.00900275482959977	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	159.915	NA	"1"	0.77523958114776	386.949028017	0.000251014606889261	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	162.008	NA	"1"	-0.476769537229124	213.45186329	0.000138466649801652	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	171.928	NA	"1"	0.593280623618274	794.89456843	0.000515649693282338	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	173.03	NA	"1"	0.89953946593837	207.738348006	0.000134760281031794	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	173.955	NA	"1"	0.150820546879602	1525.52666664	0.000989612193854381	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	174.943	NA	"1"	0.646696639290413	163.18886233	0.000105860940745588	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	175.947	NA	"1"	0.506660895270366	1125.51529793	0.000730124020482966	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	177.081	NA	"1"	-0.349150043770229	185.412219041	0.000120277276605531	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	185.962	NA	"1"	-0.386785516946622	13148.1585083	0.00852923667024592	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	187.958	NA	"1"	-0.333885650073135	540.530680192	0.000350643331229711	FALSE
"5-hydroxy-thiabendazole"	NA	NA	NA	189.973	NA	"1"	0.710817170481525	358.462937357	0.000232535623015143	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	191.023	NA	"1"	0.943541098312933	285.348824959	0.000185106352354628	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	199.973	NA	"1"	0.285023586376285	2249.33108917	0.00145914556758363	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	203.906	NA	"1"	0.272327432166324	220.729373931	0.000143187585481591	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	217.969	NA	"1"	1	1541539.884122	1	TRUE
"5-hydroxy-thiabendazole"	NA	NA	NA	219.035	NA	"1"	0.989745977797565	55751.12976688	0.0361658691683048	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	98.903	NA	"2"	0.667400010170284	282.404261107	0.000748607853773036	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	107.007	NA	"2"	0.644182822419527	250.776102526	0.000664766739544435	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	121.054	NA	"2"	0.468461643454679	182.548945409	0.000483907621278365	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	125.902	NA	"2"	0.99471830230169	148406.8197	0.393402388283387	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	126.975	NA	"2"	0.685580673617811	301.425851346	0.000799031001739535	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	131.057	NA	"2"	0.71686560485514	235.917765632	0.00062537970037848	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	131.996	NA	"2"	0.825023006886452	3437.337815361	0.00911182456866446	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	133.055	NA	"2"	0.609229728784487	1059.475870153	0.00280849854804084	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	135.007	NA	"2"	-0.0630703589928776	1620.073705625	0.00429455240855075	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	138.935	NA	"2"	0.388512588178974	560.54565096	0.00148591552783965	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	140.981	NA	"2"	0.971318347491603	11361.06560494	0.0301163406874599	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	146.013	NA	"2"	0.677368485127156	744.749183894	0.00197420919205914	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	147.042	NA	"2"	0.814646347538386	171.753984928	0.00045529193337915	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	149.011	NA	"2"	-0.156704527239734	1569.49830252	0.00416048522477764	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	150.987	NA	"2"	0.451637386634768	547.910546303	0.00145242191643876	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	153.048	NA	"2"	0.307104196288287	353.766232977	0.00093777685707774	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	156.045	NA	"2"	0.486407391413412	347.237878558	0.000920471249254685	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	158.997	NA	"2"	0.161971228755214	544.50952719	0.00144340636685447	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	162.993	NA	"2"	-0.0146119879123163	804.357781409	0.00213222190786309	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	164.96	NA	"2"	0.907832718528441	5504.73675146	0.0145921635493123	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	166.957	NA	"2"	0.967321684550227	14122.07723917	0.0374353343373474	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	168.02	NA	"2"	0.977465016016083	20360.7667386	0.0539730874796597	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	173.048	NA	"2"	0.825972891702218	4449.28006372	0.0117943192014181	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	174.07	NA	"2"	0.438640287775404	357.580513016	0.00094788789429259	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	174.963	NA	"2"	-0.153796105444945	275.919033053	0.000731416566942933	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	176.921	NA	"2"	-0.495623187250053	34391.2702636	0.0911656747658185	FALSE
"acetamiprid-N-desmethyl"	NA	NA	NA	178.923	NA	"2"	0.00427133435060827	165.392969587	0.000438429914287877	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	179.978	NA	"2"	0.855262507886083	2962.451229122	0.00785297731644369	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	181.06	NA	"2"	0.514902430711196	334.53332619	0.000886793543245312	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	181.985	NA	"2"	0.983758938668445	16217.3405395	0.0429895372243752	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	191.083	NA	"2"	0.248678055177222	2196.72544869	0.00582316257207377	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	191.986	NA	"2"	0.98871539868282	29705.473639	0.0787443885550213	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	192.999	NA	"2"	0.375698142428829	714.29845333	0.0018934892483728	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	194.904	NA	"2"	0.144605138810588	367.760202152	0.000974872597732636	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	207.107	NA	"2"	0.7622236383338	134.383083348	0.000356227739674342	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	208.999	NA	"2"	1	377239.244397	1	TRUE
"acetamiprid-N-desmethyl"	NA	NA	NA	209.92	NA	"2"	0.765065526384015	386.747904794	0.00102520591518043	TRUE
"Acetochlor"	NA	NA	NA	89.874	NA	"1"	-0.269169215326054	168.935868988	0.00157592376551218	FALSE
"Acetochlor"	NA	NA	NA	104.901	NA	"1"	-0.0785444555067005	645.152495867	0.00601832610627245	FALSE
"Acetochlor"	NA	NA	NA	105.911	NA	"1"	-0.214021828821939	236.024559512	0.00220176280388344	FALSE
"Acetochlor"	NA	NA	NA	107.902	NA	"1"	0.229834363270768	164.247659203	0.0015321896475765	TRUE
"Acetochlor"	NA	NA	NA	109.04	NA	"1"	0.0693660213151957	71.653102161	0.00066841830124432	TRUE
"Acetochlor"	NA	NA	NA	131.065	NA	"1"	0.275382213415642	668.788094532	0.00623881155954778	TRUE
"Acetochlor"	NA	NA	NA	133.066	NA	"1"	0.232730365384801	164.479385851	0.00153435131717262	TRUE
"Acetochlor"	NA	NA	NA	146.003	NA	"1"	0.238776514563385	292.081740854	0.00272469404893927	TRUE
"Acetochlor"	NA	NA	NA	148.04	NA	"1"	0.848013374156104	6853.478112981	0.0639328941767335	TRUE
"Acetochlor"	NA	NA	NA	149.072	NA	"1"	0.43012557894486	176.969023715	0.00165086131147061	TRUE
"Acetochlor"	NA	NA	NA	158.097	NA	"1"	-0.187457915805965	424.736170283	0.00396216522181653	FALSE
"Acetochlor"	NA	NA	NA	170.058	NA	"1"	0.27891286089238	148.949374199	0.00138947909679882	TRUE
"Acetochlor"	NA	NA	NA	181.058	NA	"1"	0.593807518881685	150.438060279	0.00140336635346559	TRUE
"Acetochlor"	NA	NA	NA	182.023	NA	"1"	0.0171710480794254	162.282338626	0.00151385609045391	TRUE
"Acetochlor"	NA	NA	NA	186.923	NA	"1"	0.167850555256652	2237.85539434	0.0208759070577874	TRUE
"Acetochlor"	NA	NA	NA	187.969	NA	"1"	0.15010415252038	4602.40566264	0.0429336913808246	TRUE
"Acetochlor"	NA	NA	NA	192.09	NA	"1"	-0.0494618790977389	308.925148018	0.00288181832219726	FALSE
"Acetochlor"	NA	NA	NA	194.047	NA	"1"	0.481640135213594	715.460827596	0.00667419967266773	TRUE
"Acetochlor"	NA	NA	NA	196.076	NA	"1"	0.488808833334345	141.90940619	0.00132380652554271	TRUE
"Acetochlor"	NA	NA	NA	197.899	NA	"1"	-0.0131087749554602	206.362589833	0.0019250601519892	FALSE
"Acetochlor"	NA	NA	NA	206.09	NA	"1"	0.437198391977441	1366.751734653	0.0127497881479963	TRUE
"Acetochlor"	NA	NA	NA	208.031	NA	"1"	0.272368476601906	230.938957684	0.00215432160130942	TRUE
"Acetochlor"	NA	NA	NA	208.999	NA	"1"	0.512291291404337	250.230108255	0.00233427972879905	TRUE
"Acetochlor"	NA	NA	NA	210.072	NA	"1"	0.0986490383878261	2176.80463217	0.0203063930310583	TRUE
"Acetochlor"	NA	NA	NA	211.082	NA	"1"	0.443012775142981	157.548359398	0.00146969501077594	TRUE
"Acetochlor"	NA	NA	NA	212.139	NA	"1"	0.182083279114841	244.831272599	0.00228391651424104	TRUE
"Acetochlor"	NA	NA	NA	214.155	NA	"1"	-0.118657843857387	176.2052269075	0.00164373620803241	FALSE
"Acetochlor"	NA	NA	NA	216.069	NA	"1"	0.422582457747943	94.821614269	0.000884546522333634	TRUE
"Acetochlor"	NA	NA	NA	224.071	NA	"1"	1	107197.9956677	1	TRUE
"Acetochlor"	NA	NA	NA	226.048	NA	"1"	0.403562369502733	399.374764942	0.00372558052465841	TRUE
"Acetochlor"	NA	NA	NA	227.978	NA	"1"	-0.510674734892151	184.647782791	0.00172249286603627	FALSE
"Acetochlor"	NA	NA	NA	229.025	NA	"1"	-0.0932224533221071	307.596475608	0.00286942375827165	FALSE
"Acetochlor"	NA	NA	NA	234.14	NA	"1"	-0.175135783569486	301.330885896	0.00281097500022376	FALSE
"Acetochlor"	NA	NA	NA	236.091	NA	"1"	-0.0109948114694005	138.344456677	0.00129055077770157	FALSE
"Acetochlor"	NA	NA	NA	238.007	NA	"1"	0.019859751552863	2391.6560440125	0.0223106414361172	TRUE
"Acetochlor"	NA	NA	NA	240.058	NA	"1"	0.125151140046387	600.865685468	0.00560519515057545	TRUE
"Acetochlor"	NA	NA	NA	240.914	NA	"1"	0.381232989922453	160.343672044	0.0014957711759933	TRUE
"Acetochlor"	NA	NA	NA	242.107	NA	"1"	-0.243658069956812	329.957005985	0.00307801469542233	FALSE
"Acetochlor"	NA	NA	NA	252.113	NA	"1"	-0.0929426303591254	2059.789746802	0.0192148158552058	FALSE
"Acetochlor"	NA	NA	NA	253.107	NA	"1"	-0.0834749080159067	452.481779105	0.00422099103893356	FALSE
"Acetochlor"	NA	NA	NA	255.859	NA	"1"	0.227887226659568	164.824254505	0.00153756843566305	TRUE
"Acetochlor"	NA	NA	NA	260.975	NA	"1"	-0.229475406648878	257.921786798	0.00240603180303412	FALSE
"Acetochlor"	NA	NA	NA	270.154	NA	"1"	-0.0120963321458483	16594.42395571	0.154801625276191	FALSE
"Acetochlor"	NA	NA	NA	271.027	NA	"1"	-0.160453132671047	779.655446051	0.00727304126532208	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	76.947	NA	"3"	0.69477920751872	870.478060227	0.0014242295653631	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	89.07	NA	"3"	0.676653604256223	165.940935375	0.000271503667999917	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	94.963	NA	"3"	0.521609484198171	238.079426778	0.000389532802737732	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	98.902	NA	"3"	0.214978774915306	758.42315006	0.00124089132480787	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	103.018	NA	"3"	-0.175614809818246	205.276515963	0.000335862437512779	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	104.93	NA	"3"	0.987595651529689	30618.35601838	0.0500961137065514	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	108.949	NA	"3"	-0.0331819338939282	119.257135388	0.000195122135595017	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	124.978	NA	"3"	0.221534949124524	125.521258344	0.000205371157968629	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	131.039	NA	"3"	-0.0769400909861422	114.41145277	0.000187193889308003	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	133.022	NA	"3"	0.572601862795851	129.429865364	0.000211766211367009	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	144.985	NA	"3"	0.718567048619817	288.210931778	0.00047155528537047	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	146.941	NA	"3"	0.57814551993529	376.0975962	0.000615350737076991	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	150.959	NA	"3"	0.998571995173738	159431.3573291	0.260853045158726	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	154.985	NA	"3"	0.274165989375019	547.054241654	0.00089506084118621	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	157.025	NA	"3"	0.521741962188308	155.837506292	0.000254972978636183	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	159.055	NA	"3"	0.599002952882604	238.00416661	0.000389409666082994	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	167.063	NA	"3"	0.564592368281745	257.318804747	0.000421011242200641	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	168.022	NA	"3"	-0.146991507106656	151.218960753	0.000247416361868721	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	168.992	NA	"3"	-0.107419781343326	3788.50213244	0.00619854421610022	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	171.005	NA	"3"	0.111676250736762	382.563049794	0.000625929165853998	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	173.037	NA	"3"	0.884908337751885	458.223273266	0.0007497203699226	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	176.13	NA	"3"	-0.310670506555032	259.803405295	0.000425076412502183	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	179.156	NA	"3"	0.442667912965062	428.589997766	0.000701235992183494	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	183.05	NA	"3"	0.203058950554087	944.86580463	0.00154593880735342	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	185.002	NA	"3"	0.086056322407198	684.03097247	0.0011191748294745	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	187.002	NA	"3"	0.188752374223928	691.000221263	0.00113057754096475	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	187.959	NA	"3"	0.532318575773762	155.360950946	0.000254193264311013	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	193.087	NA	"3"	0.532333874252887	550.277831083	0.000900335105502736	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	194.112	NA	"3"	0.404771811623703	213.046855456	0.00034857585068709	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	197.006	NA	"3"	-0.376007038146267	9309.2124023	0.0152312345817688	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	198.959	NA	"3"	0.693343211910461	425.048076161	0.00069544088981558	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	200.991	NA	"3"	0.131155119793369	874.082128059	0.00143012634805809	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	211.044	NA	"3"	0.135597286354562	4465.9266051	0.0073069098445358	TRUE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	212.135	NA	"3"	-0.168353630773146	322.224400034	0.000527206299823496	FALSE
"Benzophenone-3 (Oxybenzone)"	NA	NA	NA	229.046	NA	"3"	1	611192.241333	1	TRUE
"Carbendazim"	NA	NA	NA	159.911	NA	"3"	0.994444263956995	200635.423844	0.331299115613893	TRUE
"Carbendazim"	NA	NA	NA	173.916	NA	"3"	-0.327599422633271	174354.292947145	0.28790241498823	FALSE
"Carbendazim"	NA	NA	NA	191.999	NA	"3"	1	605602.0508	1	TRUE
"Cefoperazone"	NA	NA	NA	347.224	NA	"10"	0.226884700924027	55.521286247	0.00372463293062797	TRUE
"Cefoperazone"	NA	NA	NA	441.058	NA	"10"	0.950924061290588	356.13324352	0.0238911180948661	TRUE
"Cefoperazone"	NA	NA	NA	524.107	NA	"10"	0.63708852921762	114.893221858	0.00770758580293832	TRUE
"Cefoperazone"	NA	NA	NA	561.244	NA	"10"	0.111067154638739	72.667052267	0.00487485276622093	TRUE
"Cefoperazone"	NA	NA	NA	564.201	NA	"10"	-0.75489933245436	748.1662902	0.0501905663652606	FALSE
"Cefoperazone"	NA	NA	NA	586.116	NA	"10"	0.187524556076074	129.148378375	0.00866388975379182	TRUE
"Cefoperazone"	NA	NA	NA	614.197	NA	"10"	0.0285742507974875	422.54654697	0.0283464395361093	TRUE
"Cefoperazone"	NA	NA	NA	628.058	NA	"10"	0.43993219756173	173.41936492	0.011633798873392	TRUE
"Cefoperazone"	NA	NA	NA	629.087	NA	"10"	0.559404696846334	796.2319794	0.0534150422542233	TRUE
"Cefoperazone"	NA	NA	NA	645.646	NA	"10"	1	14906.512207	1	TRUE
"Cefoperazone"	NA	NA	NA	646.858	NA	"10"	0.297300736007047	14057.66561646	0.943055318457299	TRUE
"Chlorfenvinphos"	NA	NA	NA	126.943	NA	"3"	0.997743600123511	24137.73558819	0.300644369405397	TRUE
"Chlorfenvinphos"	NA	NA	NA	154.96	NA	"3"	1	80286.67104569	1	TRUE
"Chlorfenvinphos"	NA	NA	NA	157.105	NA	"3"	0.345715860318511	139.23782349	0.00173425827321651	TRUE
"Chlorfenvinphos"	NA	NA	NA	169.892	NA	"3"	0.66544701605692	545.251562146	0.00679130863248403	TRUE
"Chlorfenvinphos"	NA	NA	NA	171.059	NA	"3"	-0.390481144321044	99.739204413	0.0012422884535372	FALSE
"Chlorfenvinphos"	NA	NA	NA	173.071	NA	"3"	-0.23044952714109	168.180216313	0.0020947464145984	FALSE
"Chlorfenvinphos"	NA	NA	NA	180.926	NA	"3"	-0.0560035513809352	461.190903668	0.00574430223175579	FALSE
"Chlorfenvinphos"	NA	NA	NA	185.026	NA	"3"	-0.422990002985522	247.534089571	0.00308312807527082	FALSE
"Chlorfenvinphos"	NA	NA	NA	203.182	NA	"3"	-0.215146892999154	163.480865011	0.00203621426672387	FALSE
"Chlorfenvinphos"	NA	NA	NA	204.964	NA	"3"	0.986585654049698	6250.3470306075	0.0778503697961336	TRUE
"Chlorfenvinphos"	NA	NA	NA	213.11	NA	"3"	0.262158548513932	352.834961408	0.004394689140956	TRUE
"Chlorfenvinphos"	NA	NA	NA	217.036	NA	"3"	-0.397293606357589	491.887822143	0.00612664363506956	FALSE
"Chlorfenvinphos"	NA	NA	NA	227.106	NA	"3"	0.193494899789895	167.324791902	0.00208409178911874	TRUE
"Chlorfenvinphos"	NA	NA	NA	229.162	NA	"3"	-0.0383124646830164	213.640604973	0.00266097226588732	FALSE
"Chlorfenvinphos"	NA	NA	NA	231.07	NA	"3"	0.29228026785245	159.982762809	0.00199264411795024	TRUE
"Chlorfenvinphos"	NA	NA	NA	239.092	NA	"3"	-0.218067410917547	142.366676804	0.00177322929135997	FALSE
"Chlorfenvinphos"	NA	NA	NA	247.162	NA	"3"	-0.374118411446528	148.446807872	0.0018489595587731	FALSE
"Chlorfenvinphos"	NA	NA	NA	256.226	NA	"3"	0.290418734616126	475.08197783	0.00591732066658534	TRUE
"Chlorfenvinphos"	NA	NA	NA	257.119	NA	"3"	0.209954189712356	243.51356935	0.00303305101803785	TRUE
"Chlorfenvinphos"	NA	NA	NA	263.069	NA	"3"	0.383284356779546	156.506553191	0.0019493466493577	TRUE
"Chlorfenvinphos"	NA	NA	NA	269.088	NA	"3"	-0.200023997616281	652.63590526	0.00812882009877573	FALSE
"Chlorfenvinphos"	NA	NA	NA	270.119	NA	"3"	0.1555464012582	122.097583527	0.00152077028399292	TRUE
"Chlorfenvinphos"	NA	NA	NA	271.114	NA	"3"	-0.142836916272903	998.660381296	0.0124386821409954	FALSE
"Chlorfenvinphos"	NA	NA	NA	276.998	NA	"3"	-0.141188840163086	2095.40770716	0.0260990732318137	FALSE
"Chlorfenvinphos"	NA	NA	NA	281.144	NA	"3"	0.0621711608630186	209.236600657	0.00260611877328836	TRUE
"Chlorfenvinphos"	NA	NA	NA	284.994	NA	"3"	0.159652185665264	331.69540905	0.00413138824576793	TRUE
"Chlorfenvinphos"	NA	NA	NA	297.247	NA	"3"	0.167118416984202	235.281828857	0.00293052166433834	TRUE
"Chlorfenvinphos"	NA	NA	NA	299.144	NA	"3"	0.0432193162763704	4636.7299574	0.0577521760089082	TRUE
"Chlorfenvinphos"	NA	NA	NA	301.174	NA	"3"	0.820862649434992	309.120713465	0.00385021211415135	TRUE
"Chlorfenvinphos"	NA	NA	NA	303.112	NA	"3"	0.214145770420782	675.674108275	0.00841576938581104	TRUE
"Chlorfenvinphos"	NA	NA	NA	312.985	NA	"3"	-0.127651874714839	243.367131218	0.00303122707727542	FALSE
"Chlorfenvinphos"	NA	NA	NA	315.099	NA	"3"	-0.466033787842438	364.384241579	0.00453853967082075	FALSE
"Chlorfenvinphos"	NA	NA	NA	317.141	NA	"3"	0.248354408495302	455.98356629	0.00567944293057693	TRUE
"Chlorfenvinphos"	NA	NA	NA	318.18	NA	"3"	0.603122596882702	228.938733097	0.00285151607502464	TRUE
"Chlorfenvinphos"	NA	NA	NA	323.294	NA	"3"	-0.322055810437076	563.653416619	0.00702051049417945	FALSE
"Chlorfenvinphos"	NA	NA	NA	327.16	NA	"3"	-0.376000524619286	2409.41143152	0.0300101050415808	FALSE
"Chlorfenvinphos"	NA	NA	NA	330.993	NA	"3"	0.982120463309292	12451.37509615	0.155086453753502	TRUE
"Chlorfenvinphos"	NA	NA	NA	341.156	NA	"3"	-0.169261128513774	1974.064373155	0.0245876974028676	FALSE
"Chlorfenvinphos"	NA	NA	NA	342.217	NA	"3"	0.918097441903344	114.13835049	0.00142163511082737	TRUE
"Chlorfenvinphos"	NA	NA	NA	343.175	NA	"3"	-0.460813984753252	393.598319057	0.0049024117444477	FALSE
"Chlorfenvinphos"	NA	NA	NA	359.114	NA	"3"	0.745209586723937	22584.7152179	0.28130092982741	TRUE
"Chlorfenvinphos"	NA	NA	NA	360.168	NA	"3"	-0.169236671084055	850.672736164	0.0105954416229301	FALSE
"Chlorfenvinphos"	NA	NA	NA	118.953	NA	"6"	0.307888483138897	66.353376868	0.000891803512611579	TRUE
"Chlorfenvinphos"	NA	NA	NA	126.93	NA	"6"	0.98925451632565	20710.93127215	0.278359325927056	TRUE
"Chlorfenvinphos"	NA	NA	NA	154.957	NA	"6"	1	74403.5832217	1	TRUE
"Chlorfenvinphos"	NA	NA	NA	169.937	NA	"6"	0.400965038923134	251.752763748	0.00338361074624395	TRUE
"Chlorfenvinphos"	NA	NA	NA	177.012	NA	"6"	0.152941035271053	308.496086376	0.00414625308376313	TRUE
"Chlorfenvinphos"	NA	NA	NA	180.942	NA	"6"	-0.0396586829705516	354.258750916	0.00476131303865322	FALSE
"Chlorfenvinphos"	NA	NA	NA	184.93	NA	"6"	0.21416204967555	620.034171576	0.00833339127940232	TRUE
"Chlorfenvinphos"	NA	NA	NA	186.967	NA	"6"	0.0344669511741455	255.646638389	0.00343594525047605	TRUE
"Chlorfenvinphos"	NA	NA	NA	194.987	NA	"6"	0.0600010541304002	215.919657704	0.00290200617167355	TRUE
"Chlorfenvinphos"	NA	NA	NA	204.959	NA	"6"	0.974358430327003	4144.892359716	0.0557082358166203	TRUE
"Chlorfenvinphos"	NA	NA	NA	215.074	NA	"6"	-0.450618424806283	111.581706056	0.00149968188660377	FALSE
"Chlorfenvinphos"	NA	NA	NA	216.952	NA	"6"	-0.105278812587947	184.536623947	0.00248021151611929	FALSE
"Chlorfenvinphos"	NA	NA	NA	227.058	NA	"6"	-0.27543786104457	385.765646933	0.00518477242935378	FALSE
"Chlorfenvinphos"	NA	NA	NA	257.123	NA	"6"	-0.192268801241969	116.439049717	0.00156496561959989	FALSE
"Chlorfenvinphos"	NA	NA	NA	263.12	NA	"6"	-0.231513262598985	130.036875959	0.00174772329944822	FALSE
"Chlorfenvinphos"	NA	NA	NA	269.126	NA	"6"	-0.0862995045723987	521.926541329	0.00701480384047927	FALSE
"Chlorfenvinphos"	NA	NA	NA	271.057	NA	"6"	-0.277078978843132	286.086881162	0.00384506859447277	FALSE
"Chlorfenvinphos"	NA	NA	NA	277.032	NA	"6"	-0.220951930554816	7365.76094096	0.0989973953137751	FALSE
"Chlorfenvinphos"	NA	NA	NA	287.097	NA	"6"	-0.246131897006268	1436.521243097	0.0193071513614688	FALSE
"Chlorfenvinphos"	NA	NA	NA	299.097	NA	"6"	0.0508805989280348	4075.071828875	0.054769833016409	TRUE
"Chlorfenvinphos"	NA	NA	NA	301.175	NA	"6"	0.449299997298531	184.163766389	0.00247520023115349	TRUE
"Chlorfenvinphos"	NA	NA	NA	303.002	NA	"6"	0.469612773913552	558.96223402	0.00751257143563184	TRUE
"Chlorfenvinphos"	NA	NA	NA	315.15	NA	"6"	-0.535392132745364	228.835577496	0.00307559888364704	FALSE
"Chlorfenvinphos"	NA	NA	NA	317.058	NA	"6"	0.108398080800289	371.096517574	0.00498761620751847	TRUE
"Chlorfenvinphos"	NA	NA	NA	327.106	NA	"6"	-0.0292180991930868	857.215583061	0.0115211599487992	FALSE
"Chlorfenvinphos"	NA	NA	NA	331.034	NA	"6"	0.935671136523579	10942.34945269	0.147067506414108	TRUE
"Chlorfenvinphos"	NA	NA	NA	341.156	NA	"6"	0.3027544679085	681.509114277	0.0091596275981267	TRUE
"Chlorfenvinphos"	NA	NA	NA	359.083	NA	"6"	0.963091521050382	70775.23458992	0.951234221865785	TRUE
"Chlorfenvinphos"	NA	NA	NA	359.907	NA	"6"	0.316260785934268	336.06626725	0.0045168021847634	TRUE
"Chlormequat"	NA	NA	NA	103.875	NA	"3"	0.258848039085982	1344.00603488	0.0035075545862099	TRUE
"Chlormequat"	NA	NA	NA	121.939	NA	"3"	1	383174.65968	1	TRUE
"Chlormequat"	NA	NA	NA	103.891	NA	"7"	-0.238480528781348	249.84195518	0.00659545474896182	FALSE
"Chlormequat"	NA	NA	NA	121.989	NA	"7"	1	37880.9293202	1	TRUE
"Desisopropylatrazine"	NA	NA	NA	78.873	NA	"1"	-0.00233999251843864	530.25218964	0.0010623465213357	TRUE
"Desisopropylatrazine"	NA	NA	NA	114.851	NA	"1"	0.0134526232413478	19215.13916	0.0384970333785257	TRUE
"Desisopropylatrazine"	NA	NA	NA	129.922	NA	"1"	0.263395383425939	3994.6477049	0.00800317316208218	TRUE
"Desisopropylatrazine"	NA	NA	NA	131.851	NA	"1"	-0.0312768712385	7326.0765379	0.0146776045005323	FALSE
"Desisopropylatrazine"	NA	NA	NA	132.89	NA	"1"	0.249785689081156	9816.328859	0.0196667604950881	TRUE
"Desisopropylatrazine"	NA	NA	NA	141.94	NA	"1"	-0.064738762712863	4465.0982056	0.0089457085492884	FALSE
"Desisopropylatrazine"	NA	NA	NA	145.906	NA	"1"	0.267964087777204	1514.5723649	0.00303440648544061	TRUE
"Desisopropylatrazine"	NA	NA	NA	155.888	NA	"1"	-0.877674937275134	2233.4023818	0.00447456379700939	FALSE
"Desisopropylatrazine"	NA	NA	NA	158.837	NA	"1"	-0.178626327953242	56937.500976	0.114072807764298	FALSE
"Desisopropylatrazine"	NA	NA	NA	173.912	NA	"1"	1	499132.98438	1	TRUE
"Dichlorvos"	NA	NA	NA	76.87	NA	"8"	0.673126587009387	741.86317154	0.00161896017936163	TRUE
"Dichlorvos"	NA	NA	NA	78.905	NA	"8"	0.878900088282318	1378.256703748	0.00300775507655178	TRUE
"Dichlorvos"	NA	NA	NA	94.966	NA	"8"	0.23830151975066	167.451852342	0.000365428412276191	TRUE
"Dichlorvos"	NA	NA	NA	98.879	NA	"8"	0.0952811367061809	779.789044359	0.00170172541184249	TRUE
"Dichlorvos"	NA	NA	NA	104.915	NA	"8"	0.421334905224525	170.538307904	0.000372163951715189	TRUE
"Dichlorvos"	NA	NA	NA	106.991	NA	"8"	0.259129043686515	193.227040286	0.000421677333233239	TRUE
"Dichlorvos"	NA	NA	NA	108.907	NA	"8"	0.967088540122942	63244.728942055	0.138018305315196	TRUE
"Dichlorvos"	NA	NA	NA	111.003	NA	"8"	0.669971084873578	362.689319128	0.000791493078068717	TRUE
"Dichlorvos"	NA	NA	NA	116.962	NA	"8"	0.427724412537125	150.021759756	0.000327390904954265	TRUE
"Dichlorvos"	NA	NA	NA	119.018	NA	"8"	0.352320220252662	842.015996927	0.00183752263450484	TRUE
"Dichlorvos"	NA	NA	NA	121.012	NA	"8"	0.347913703205373	778.073791986	0.00169798223466916	TRUE
"Dichlorvos"	NA	NA	NA	123.095	NA	"8"	0.375380270767784	270.12158084	0.000589483478548166	TRUE
"Dichlorvos"	NA	NA	NA	126.93	NA	"8"	0.948284758535013	7147.09441171	0.0155970287980156	TRUE
"Dichlorvos"	NA	NA	NA	133.034	NA	"8"	0.111433255667834	852.743870701	0.00186093396036062	TRUE
"Dichlorvos"	NA	NA	NA	135.079	NA	"8"	0.0748728027193132	220.929068083	0.000482131176490902	TRUE
"Dichlorvos"	NA	NA	NA	136.984	NA	"8"	0.453769927098964	505.667025571	0.00110351181972854	TRUE
"Dichlorvos"	NA	NA	NA	138.985	NA	"8"	0.467524552074558	137.935647968	0.000301015510597557	TRUE
"Dichlorvos"	NA	NA	NA	143.009	NA	"8"	0.278796612798532	266.444155698	0.000581458272424074	TRUE
"Dichlorvos"	NA	NA	NA	144.921	NA	"8"	0.994170372012309	44316.40897363	0.0967112321692371	TRUE
"Dichlorvos"	NA	NA	NA	145.872	NA	"8"	0.346301417994264	207.562618724	0.000452961714948885	TRUE
"Dichlorvos"	NA	NA	NA	147.046	NA	"8"	-0.183799172220307	819.102781302	0.00178751936557185	FALSE
"Dichlorvos"	NA	NA	NA	148.978	NA	"8"	0.291827272614207	273.867382537	0.000597657902107486	TRUE
"Dichlorvos"	NA	NA	NA	151.105	NA	"8"	-0.0612144593206886	544.88402842	0.00118909467166422	FALSE
"Dichlorvos"	NA	NA	NA	153.072	NA	"8"	0.459453598609755	595.225358962	0.00129895402666414	TRUE
"Dichlorvos"	NA	NA	NA	157.075	NA	"8"	-0.0788899965991259	259.340542296	0.000565956131775221	FALSE
"Dichlorvos"	NA	NA	NA	158.986	NA	"8"	0.0596826580176188	1143.682675356	0.00249584664700842	TRUE
"Dichlorvos"	NA	NA	NA	160.95	NA	"8"	0.106726535917086	9549.15720075	0.0208390251026838	TRUE
"Dichlorvos"	NA	NA	NA	163.019	NA	"8"	0.0347987341572495	754.856181158	0.00164731468729325	TRUE
"Dichlorvos"	NA	NA	NA	165.051	NA	"8"	-0.380495498071025	1334.653779975	0.00291260087561511	FALSE
"Dichlorvos"	NA	NA	NA	175.091	NA	"8"	0.149156761794573	7231.4122008	0.015781034620363	TRUE
"Dichlorvos"	NA	NA	NA	176.036	NA	"8"	-0.107338339253918	284.52136421	0.00062090797401014	FALSE
"Dichlorvos"	NA	NA	NA	177.061	NA	"8"	0.0961702542234717	389.493910798	0.000849988455926194	TRUE
"Dichlorvos"	NA	NA	NA	177.991	NA	"8"	0.493220332481887	482.049106835	0.00105197068462459	TRUE
"Dichlorvos"	NA	NA	NA	179.031	NA	"8"	-0.0861608852458405	2525.723908887	0.00551186066301337	FALSE
"Dichlorvos"	NA	NA	NA	185.101	NA	"8"	0.0918293472268129	668.89163876	0.00145971517255995	TRUE
"Dichlorvos"	NA	NA	NA	188.967	NA	"8"	-0.197479261216347	5542.6118852	0.0120955834930694	FALSE
"Dichlorvos"	NA	NA	NA	190.968	NA	"8"	0.387244221989	1667.67687608	0.00363935366788881	TRUE
"Dichlorvos"	NA	NA	NA	192.082	NA	"8"	0.819756995871118	124.725039958	0.000272186139988758	TRUE
"Dichlorvos"	NA	NA	NA	193.079	NA	"8"	-0.217736800465349	3528.26782225	0.00769970167745111	FALSE
"Dichlorvos"	NA	NA	NA	203.05	NA	"8"	-0.00105621012897679	9102.7295684	0.0198647907863461	TRUE
"Dichlorvos"	NA	NA	NA	204.09	NA	"8"	0.224749665606753	212.49892521	0.000463734164560272	TRUE
"Dichlorvos"	NA	NA	NA	206.076	NA	"8"	0.0812819184416861	745.68288134	0.00162729589179507	TRUE
"Dichlorvos"	NA	NA	NA	219.064	NA	"8"	0.850573767933108	128.129454139	0.000279615557170436	TRUE
"Dichlorvos"	NA	NA	NA	220.928	NA	"8"	1	458234.353752	1	TRUE
"Dichlorvos"	NA	NA	NA	221.982	NA	"8"	0.129303934081555	360.408204103	0.000786515024794618	TRUE
"Fluopyram"	NA	NA	NA	129.966	NA	"2"	0.988179415765439	17795.909718935	0.0154226372206749	TRUE
"Fluopyram"	NA	NA	NA	144.998	NA	"2"	0.928241190042729	3449.545446807	0.00298951213186528	TRUE
"Fluopyram"	NA	NA	NA	149.953	NA	"2"	0.988115406284376	12058.53886978	0.0104504053648994	TRUE
"Fluopyram"	NA	NA	NA	151.993	NA	"2"	0.714803770971941	843.962879701	0.000731411516855211	TRUE
"Fluopyram"	NA	NA	NA	169.972	NA	"2"	0.996118661695746	54335.19384732	0.0470890219301705	TRUE
"Fluopyram"	NA	NA	NA	172.063	NA	"2"	0.93623116209915	4358.1586747	0.00377695219022824	TRUE
"Fluopyram"	NA	NA	NA	172.99	NA	"2"	0.996725515129425	33891.795142293	0.0293719663390324	TRUE
"Fluopyram"	NA	NA	NA	190.021	NA	"2"	0.994751234429169	52936.742621562	0.0458770689439894	TRUE
"Fluopyram"	NA	NA	NA	207.984	NA	"2"	0.998926992897114	741312.313808205	0.642450487985915	TRUE
"Fluopyram"	NA	NA	NA	208.978	NA	"2"	0.479662731083597	434.75375842	0.000376774753431255	TRUE
"Fluopyram"	NA	NA	NA	223.061	NA	"2"	0.919762443227137	180.747808449	0.000156643179369186	TRUE
"Fluopyram"	NA	NA	NA	233.132	NA	"2"	0.447788622500763	228.889230719	0.000198364434572427	TRUE
"Fluopyram"	NA	NA	NA	239.159	NA	"2"	0.490523688542752	454.236178877	0.000393658987372342	TRUE
"Fluopyram"	NA	NA	NA	251.124	NA	"2"	0.399282659683872	207.703212752	0.000180003795840478	TRUE
"Fluopyram"	NA	NA	NA	253.207	NA	"2"	0.291997563579388	381.209336282	0.000330371045451865	TRUE
"Fluopyram"	NA	NA	NA	277.084	NA	"2"	0.472534154830253	407.468348983	0.000353128141495666	TRUE
"Fluopyram"	NA	NA	NA	293.082	NA	"2"	0.439013773646497	230.165272235	0.000199470302476379	TRUE
"Fluopyram"	NA	NA	NA	295.154	NA	"2"	0.556087836877115	396.002507198	0.000343191390799996	TRUE
"Fluopyram"	NA	NA	NA	297.093	NA	"2"	0.269891270141561	261.36091041	0.000226505672853008	TRUE
"Fluopyram"	NA	NA	NA	305.245	NA	"2"	0.13304535194746	151.392195691	0.000131202447588246	TRUE
"Fluopyram"	NA	NA	NA	307.132	NA	"2"	0.658489317811748	176.850197312	0.000153265355838801	TRUE
"Fluopyram"	NA	NA	NA	309.193	NA	"2"	0.620367265623824	877.951049335	0.0007608670051297	TRUE
"Fluopyram"	NA	NA	NA	312.079	NA	"2"	-0.101202655215579	313.370437142	0.000271579179938356	FALSE
"Fluopyram"	NA	NA	NA	315.092	NA	"2"	-0.0918425876545814	1665.552336677	0.00144343334318478	FALSE
"Fluopyram"	NA	NA	NA	317.175	NA	"2"	0.747044352703202	276.576972023	0.000239692511957673	TRUE
"Fluopyram"	NA	NA	NA	319.208	NA	"2"	0.411135022271651	205.162689204	0.000177802077937308	TRUE
"Fluopyram"	NA	NA	NA	321.075	NA	"2"	0.668663039963109	172.5105753	0.000149504468251542	TRUE
"Fluopyram"	NA	NA	NA	322.207	NA	"2"	0.457450301072192	363.92931174	0.000315395494671673	TRUE
"Fluopyram"	NA	NA	NA	323.148	NA	"2"	0.525525654158042	541.443225855	0.000469236053668481	TRUE
"Fluopyram"	NA	NA	NA	325.172	NA	"2"	-0.375139543472427	284.063552627	0.000246180677974607	FALSE
"Fluopyram"	NA	NA	NA	335.143	NA	"2"	0.85099649332553	354.179540117	0.000306945958059	TRUE
"Fluopyram"	NA	NA	NA	337.149	NA	"2"	-0.0800505936255548	6092.33305747	0.00527985610496276	FALSE
"Fluopyram"	NA	NA	NA	339.165	NA	"2"	0.0817418256376614	1257.39245224	0.001089705889791	TRUE
"Fluopyram"	NA	NA	NA	351.264	NA	"2"	0.0922108519959764	325.871292118	0.000282412913885544	TRUE
"Fluopyram"	NA	NA	NA	353.206	NA	"2"	0.73819712073071	219.68107702	0.000190384285413725	TRUE
"Fluopyram"	NA	NA	NA	355.042	NA	"2"	0.558938657015514	404.386810763	0.0003504575589405	TRUE
"Fluopyram"	NA	NA	NA	357.092	NA	"2"	0.962259996620823	6087.032030074	0.00527526202555257	TRUE
"Fluopyram"	NA	NA	NA	361.224	NA	"2"	0.552153478272702	857.635546693	0.000743260789310912	TRUE
"Fluopyram"	NA	NA	NA	365.223	NA	"2"	-0.00936270431495669	3128.58431621	0.00271135455760717	FALSE
"Fluopyram"	NA	NA	NA	377.099	NA	"2"	0.95522089194523	6353.409628619	0.00550611535819805	TRUE
"Fluopyram"	NA	NA	NA	379.135	NA	"2"	0.976200924337964	23757.38885012	0.0205890901523317	TRUE
"Fluopyram"	NA	NA	NA	380.163	NA	"2"	0.802086185702225	299.634428489	0.000259675013101082	TRUE
"Fluopyram"	NA	NA	NA	383.011	NA	"2"	0.514484227137365	296.36061955	0.000256837801157807	TRUE
"Fluopyram"	NA	NA	NA	397.143	NA	"2"	1	1153882.4044359	1	TRUE
"Fluopyram"	NA	NA	NA	397.852	NA	"2"	0.629183355208795	786.96763037	0.000682017185932154	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	104.943	NA	"3"	0.933250800122397	148.864868642	0.000349259198550838	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	111.016	NA	"3"	-0.136986211620653	819.476129504	0.00192261329911496	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	124.953	NA	"3"	0.937808762193969	1183.686924417	0.00277710617910255	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	128.989	NA	"3"	0.93947878913899	361.506768723	0.000848148830994743	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	130.031	NA	"3"	0.688489556152789	331.007312771	0.000776592555567199	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	138.998	NA	"3"	0.773254709339752	1538.894389073	0.00361047590264274	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	142.055	NA	"3"	0.570848007480712	609.52418229	0.00143003469754783	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	143.052	NA	"3"	0.806393964441417	697.26483626	0.00163588736624957	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	144.028	NA	"3"	0.617078750669289	821.504440261	0.00192737201885766	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	150.967	NA	"3"	0.969913176100367	8918.60934376	0.020924388541131	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	163.01	NA	"3"	0.943479253411026	4190.003754782	0.00983037412836093	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	165.016	NA	"3"	0.974027692942281	11141.070391724	0.0261386138415883	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	177.025	NA	"3"	0.976181868104272	5276.840125508	0.0123802544544473	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	179.05	NA	"3"	0.985734009124796	18898.49200271	0.0443386826650093	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	181.003	NA	"3"	0.815011717512525	2102.659529777	0.00493315305951243	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	183.071	NA	"3"	0.629817289150805	328.86962314	0.000771577216662296	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	191.055	NA	"3"	0.627994719460226	789.382863066	0.00185201000490732	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	193.087	NA	"3"	0.834581905027916	786.770006146	0.00184587985262806	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	207.094	NA	"3"	0.912806973260801	1817.33848199	0.00426374729985384	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	213.136	NA	"3"	0.533276651096227	209.824030864	0.000492278490719679	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	219.028	NA	"3"	0.973387546070147	5785.704654759	0.0135741265834354	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	225.246	NA	"3"	0.158710766132164	598.46658039	0.00140409191324474	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	233.996	NA	"3"	0.533892369953371	498.037124195	0.00116846942083577	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	236.081	NA	"3"	0.757916887845443	401.455109619	0.000941873600660352	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	237.098	NA	"3"	0.819617372910582	1804.698136231	0.00423409116224753	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	241.966	NA	"3"	0.0281666681525705	492.2943644595	0.00115499604944205	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	249.215	NA	"3"	0.148844380563395	668.821608301	0.00156915530856678	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	251.196	NA	"3"	-0.0957358039667109	294.37336396	0.000690643844375629	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	252.021	NA	"3"	0.571270701114537	262.84086132	0.000616663887245291	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	260.974	NA	"3"	0.307249106849353	301.249457372	0.000706776185714076	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	262.007	NA	"3"	-0.0664296147654578	356.3203392	0.000835980693306733	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	264.108	NA	"3"	-0.234448577231542	1060.76663015	0.00248871682402531	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	266.097	NA	"3"	0.442854013871549	224.958957681	0.000527787287781417	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	268.218	NA	"3"	0.333877814717464	167.482578998	0.00039293912556858	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	276.183	NA	"3"	0.814390714374443	472.387895585	0.00110829250260451	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	278.186	NA	"3"	0.275231308762053	379.986748698	0.000891505621983662	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	280.045	NA	"3"	0.650641022624376	416.402436187	0.000976942259540319	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	282.042	NA	"3"	0.782140125615591	155.801819332	0.000365534320145864	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	288.14	NA	"3"	0.702501554923525	901.789572159	0.00211573292011017	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	292.107	NA	"3"	-0.282700274468723	1574.001168335	0.00369284164615631	FALSE
"Hydroxy-tebuconazole"	NA	NA	NA	296.201	NA	"3"	-0.00403563274731662	354.472442154	0.000831645251055126	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	306.19	NA	"3"	0.939487898745732	6832.34144213	0.0160296926875516	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	307.097	NA	"3"	0.647420935806109	170.978830823	0.000401141854133558	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	324.177	NA	"3"	1	426230.3448547	1	TRUE
"Hydroxy-tebuconazole"	NA	NA	NA	325.033	NA	"3"	0.526687588803207	740.769098256	0.0017379548575044	TRUE
"Isoproturon"	NA	NA	NA	71.89	NA	"2"	0.993086605464471	59907.1442268	0.115787147683237	TRUE
"Isoproturon"	NA	NA	NA	119.978	NA	"2"	0.927282017838371	790.062006494	0.00152701363761405	TRUE
"Isoproturon"	NA	NA	NA	133.985	NA	"2"	0.71269989274101	432.2311039	0.000835406315999436	TRUE
"Isoproturon"	NA	NA	NA	137.024	NA	"2"	0.213034502535958	770.65881154	0.00148951158959186	TRUE
"Isoproturon"	NA	NA	NA	146.925	NA	"2"	-0.543816345969317	1151.6802063	0.00222594095999428	FALSE
"Isoproturon"	NA	NA	NA	149.063	NA	"2"	0.500520723996853	390.29506684	0.000754353310068573	TRUE
"Isoproturon"	NA	NA	NA	161.063	NA	"2"	0.400505614578046	614.84665681	0.00118836144792821	TRUE
"Isoproturon"	NA	NA	NA	162.055	NA	"2"	0.804730923860733	2048.22309885	0.00395875840011529	TRUE
"Isoproturon"	NA	NA	NA	165.029	NA	"2"	0.985177338187729	41795.7801207	0.0807819205510825	TRUE
"Isoproturon"	NA	NA	NA	173.91	NA	"2"	-0.672244697055266	2538.22496785	0.00490582271945875	FALSE
"Isoproturon"	NA	NA	NA	174.904	NA	"2"	-0.891117335203028	41310.6113296	0.0798441974933163	FALSE
"Isoproturon"	NA	NA	NA	179.091	NA	"2"	0.106337033555785	305.46005153	0.000590386147667693	TRUE
"Isoproturon"	NA	NA	NA	189.09	NA	"2"	-0.557815616548336	2256.78026215	0.00436185287873026	FALSE
"Isoproturon"	NA	NA	NA	192.871	NA	"2"	-0.457037805653279	900.73918538	0.00174092793819098	FALSE
"Isoproturon"	NA	NA	NA	207.103	NA	"2"	1	517390.275393	1	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	98.901	NA	"5"	-0.0145062980310714	146.313006405	0.00728513388971739	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	101.001	NA	"5"	-0.0828141093237674	435.762945656	0.0216972604232751	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	104.913	NA	"5"	0.587019603923614	89.451040273	0.00445389525494049	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	110.87	NA	"5"	-0.390287162095832	129.625732421	0.00645425064690212	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	112.962	NA	"5"	0.436063164175773	214.697242755	0.0106900828412605	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	114.854	NA	"5"	-0.487491202047035	169.733005041	0.00845124912412097	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	124.899	NA	"5"	0.211743045350572	976.859200016	0.0486392169662613	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	126.97	NA	"5"	-0.193115673489529	251.457530026	0.0125204301300888	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	132.921	NA	"5"	-0.0235937319440911	106.381536014	0.00529688885696561	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	134.959	NA	"5"	0.0943867349562522	265.367501262	0.0132130274961485	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	142.949	NA	"5"	0.324562260639024	2027.15360119	0.100934877647263	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	144.918	NA	"5"	0.0513679474641989	340.208190446	0.0169394524702548	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	154.962	NA	"5"	-0.0935008127275434	89.39838505	0.00445127347606401	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	156.946	NA	"5"	-0.124840593853139	283.279369826	0.014104885054885	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	158.921	NA	"5"	0.615282973488168	11570.4075283	0.576107142306516	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	170.98	NA	"5"	-0.157617624578159	343.725625045	0.0171145905706306	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	173.045	NA	"5"	0.13521369536174	276.705667733	0.0137775710239911	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	173.932	NA	"5"	0.0546754802243834	145.849533325	0.00726205690206577	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	174.978	NA	"5"	-0.0449871685056207	1172.409335654	0.0583759379542223	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	177.077	NA	"5"	0.124276700228139	180.05658699	0.00896527503724966	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	183.054	NA	"5"	0.118394234041897	92.657263754	0.00461353770856342	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	184.956	NA	"5"	-0.074153926813293	212.018755439	0.0105567171262197	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	187.004	NA	"5"	0.108830633613764	941.066299451	0.0468570372453718	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	189.021	NA	"5"	0.508419430479885	146.580297463	0.00729844269385517	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	189.911	NA	"5"	0.87690485484064	148.989129555	0.0074183818895511	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	192.981	NA	"5"	-0.0384696232288205	1596.369196382	0.0794855058946147	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	197.022	NA	"5"	-0.0619440037636622	179.884572989	0.00895671021407378	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	198.997	NA	"5"	-0.028668865104496	276.667024113	0.0137756469028716	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	201.02	NA	"5"	0.237137284012593	239.864170096	0.0119431801548682	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	202.991	NA	"5"	-0.0966182688129124	1407.858670707	0.0700992971568763	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	205.027	NA	"5"	0.133069171499041	130.40357304	0.00649298044402344	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	213.08	NA	"5"	-0.457317913367628	282.143243319	0.0140483156908721	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	215.035	NA	"5"	0.104159055038702	4632.372268515	0.23065244185969	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	215.963	NA	"5"	0.149064407342261	152.968408575	0.00761651588431708	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	217.11	NA	"5"	-0.065462150775907	149.235903278	0.00743066910622917	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	219.11	NA	"5"	0.135712941972458	275.246332175	0.0137049086189782	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	229.034	NA	"5"	0.1770967268039	508.844859597	0.0253361134621037	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	231.032	NA	"5"	-0.102884748154224	548.515546309	0.027311373702427	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	233.021	NA	"5"	0.0252727083027678	5883.46527449	0.292946152316215	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	239.07	NA	"5"	0.360021753339356	289.00519777	0.0143899822190159	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	243	NA	"5"	-0.053037039486054	3332.41069708	0.165925495622409	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	244.961	NA	"5"	-0.281228966283381	369.79291249	0.0184125181017819	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	247.121	NA	"5"	-0.000759194687357852	453.035788533	0.0225572999789294	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	256.992	NA	"5"	1	20083.7772675	1	TRUE
"Malathion dicarboxilic acid"	NA	NA	NA	261.023	NA	"5"	-0.0148073154145046	138.486630433	0.00689544743443765	FALSE
"Malathion dicarboxilic acid"	NA	NA	NA	275.072	NA	"5"	0.106470337603423	7538.973325	0.375376266356017	TRUE
"Methamidophos"	NA	NA	NA	93.9	NA	"10"	0.976908842717177	9354.73397623	0.0482149771671354	TRUE
"Methamidophos"	NA	NA	NA	99.88	NA	"10"	0.513584871583348	164.780854231	0.000849292469942643	TRUE
"Methamidophos"	NA	NA	NA	109.875	NA	"10"	0.284212959905891	434.336410282	0.0022386013496283	TRUE
"Methamidophos"	NA	NA	NA	111.944	NA	"10"	0.703154152581651	915.166019881	0.00471683201946947	TRUE
"Methamidophos"	NA	NA	NA	114.009	NA	"10"	-0.0808744594898649	205.122636803	0.00105721694225077	FALSE
"Methamidophos"	NA	NA	NA	123.965	NA	"10"	-0.178837358040908	522.942952646	0.00269528589328229	FALSE
"Methamidophos"	NA	NA	NA	124.905	NA	"10"	0.944616104231969	4800.928386691	0.0247443329904978	TRUE
"Methamidophos"	NA	NA	NA	141.916	NA	"10"	1	194021.3295923	1	TRUE
"Methamidophos"	NA	NA	NA	142.955	NA	"10"	0.462998313752461	215.166582594	0.0011089841670817	TRUE
"Metolachlor"	NA	NA	NA	176.128	NA	"2"	0.760582065871439	995.27586705	0.00140948787866654	TRUE
"Metolachlor"	NA	NA	NA	196.04	NA	"2"	0.191220558744757	165.330739505	0.000234137771263337	TRUE
"Metolachlor"	NA	NA	NA	212.064	NA	"2"	0.931185345473568	3303.57566825	0.00467845148748308	TRUE
"Metolachlor"	NA	NA	NA	220.094	NA	"2"	0.643787158940323	134.73387814	0.000190807166506454	TRUE
"Metolachlor"	NA	NA	NA	222.125	NA	"2"	0.424376972972785	149.329081531	0.000211476573800797	TRUE
"Metolachlor"	NA	NA	NA	224.025	NA	"2"	0.280374162629315	1240.410666011	0.0017566424106045	TRUE
"Metolachlor"	NA	NA	NA	238.138	NA	"2"	0.391062783784674	278.464510935	0.000394355339856714	TRUE
"Metolachlor"	NA	NA	NA	240.107	NA	"2"	0.591264299722738	309.572997085	0.000438410496425569	TRUE
"Metolachlor"	NA	NA	NA	241.023	NA	"2"	0.595274120987579	198.540365455	0.000281168515985718	TRUE
"Metolachlor"	NA	NA	NA	243.012	NA	"2"	0.396358480157969	350.776814924	0.000496762440566436	TRUE
"Metolachlor"	NA	NA	NA	248.131	NA	"2"	0.678240672160261	330.1702237165	0.000467579837542316	TRUE
"Metolachlor"	NA	NA	NA	252.088	NA	"2"	1	706125.8788487	1	TRUE
"Metolachlor"	NA	NA	NA	253.149	NA	"2"	0.617816316710038	610.27153687	0.000864253180842224	TRUE
"Metolachlor"	NA	NA	NA	256.233	NA	"2"	0.912395716840148	160.856989391	0.000227802144361666	TRUE
"Metolachlor"	NA	NA	NA	266.126	NA	"2"	-0.116852848038893	2686.12464523	0.00380403087564158	FALSE
"Metolachlor"	NA	NA	NA	267.137	NA	"2"	0.0441030462799913	90.919785974	0.000128758609048913	TRUE
"Metolachlor"	NA	NA	NA	284.143	NA	"2"	0.917041451436126	27717.1231987	0.0392523826543382	TRUE
"Metolachlor"	NA	NA	NA	285.045	NA	"2"	0.46981332944969	786.727229625	0.00111414586717558	TRUE
"Metolachlor"	NA	NA	NA	104.917	NA	"6"	0.130410538297487	67.732931137	0.000302088164521329	TRUE
"Metolachlor"	NA	NA	NA	212.095	NA	"6"	0.585824508393064	1215.116215726	0.00541940561447594	TRUE
"Metolachlor"	NA	NA	NA	224.037	NA	"6"	-0.121009816842564	339.173356055	0.00151270962093686	FALSE
"Metolachlor"	NA	NA	NA	252.116	NA	"6"	1	224215.7723866	1	TRUE
"Metolachlor"	NA	NA	NA	266.193	NA	"6"	-0.192997823151521	628.791106722	0.00280440176009482	FALSE
"Metolachlor"	NA	NA	NA	284.148	NA	"6"	0.993045070992658	155026.670419	0.691417328802802	TRUE
"Metolachlor"	NA	NA	NA	284.996	NA	"6"	0.137649546667365	459.575310689	0.00204970107944318	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	71.924	NA	"1"	0.831213054372806	1933.43451305	0.00181816864864583	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	90.956	NA	"1"	0.822308544953969	1277.57458017	0.00120140921882462	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	99.971	NA	"1"	0.904831380805312	4819.97843154	0.0045326250318924	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	118.961	NA	"1"	0.996276922706082	196757.537712	0.185027413154208	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	159.034	NA	"1"	0.318506076968014	5745.2918091	0.00540277385870641	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	159.873	NA	"1"	-0.60812844929883	81418.296387	0.076564369218524	FALSE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	173.926	NA	"1"	-0.0254778159834255	6464.1887357	0.00607881219604324	FALSE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	177.88	NA	"1"	0.189033868824133	1156.2770652	0.00108734311656538	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	192.083	NA	"1"	1	1063396.68462	1	TRUE
"N,N-diethyl-m-toluamide ou DEET"	NA	NA	NA	192.983	NA	"1"	0.843516913487705	669.860601479	0.000629925418394897	TRUE
"Nigericin"	NA	NA	NA	303.112	NA	"8"	0.276061805503448	256.771903521	2.6267948084131e-05	TRUE
"Nigericin"	NA	NA	NA	345.081	NA	"8"	0.872974522948053	170.187350269	1.74102867959473e-05	TRUE
"Nigericin"	NA	NA	NA	361.017	NA	"8"	0.0124772075594237	270.481686601	2.76704686296107e-05	TRUE
"Nigericin"	NA	NA	NA	377.207	NA	"8"	0.131631712997993	212.930380819	2.17829291764015e-05	TRUE
"Nigericin"	NA	NA	NA	399.234	NA	"8"	-0.160310017373442	155.459186543	1.59035851871495e-05	FALSE
"Nigericin"	NA	NA	NA	419.123	NA	"8"	0.454680561332234	334.087566385	3.41773953030539e-05	TRUE
"Nigericin"	NA	NA	NA	485.072	NA	"8"	0.625478626726129	192.458596704	1.96886511228122e-05	TRUE
"Nigericin"	NA	NA	NA	491.181	NA	"8"	0.789429377035226	124.569573874	1.27435558739663e-05	TRUE
"Nigericin"	NA	NA	NA	501.074	NA	"8"	0.518631975615399	1962.279740704	0.000200742611043264	TRUE
"Nigericin"	NA	NA	NA	501.674	NA	"8"	-0.430131005779289	200.27525187	2.04883004975159e-05	FALSE
"Nigericin"	NA	NA	NA	507.181	NA	"8"	-0.251490955631681	218.69433498	2.23725857805091e-05	FALSE
"Nigericin"	NA	NA	NA	509.012	NA	"8"	-0.429865460317741	199.1876421	2.03770372456477e-05	FALSE
"Nigericin"	NA	NA	NA	523.044	NA	"8"	0.751433918824564	240.14782524	2.45672930699186e-05	TRUE
"Nigericin"	NA	NA	NA	525.047	NA	"8"	0.369620356347346	576.361316696	5.89621720175225e-05	TRUE
"Nigericin"	NA	NA	NA	559.128	NA	"8"	-0.452581405412262	103.529180519	1.05911086913109e-05	FALSE
"Nigericin"	NA	NA	NA	567.118	NA	"8"	-0.280307875056363	249.41364288	2.55151927948768e-05	FALSE
"Nigericin"	NA	NA	NA	567.84	NA	"8"	0.314904511665119	259.228322029	2.65192414419954e-05	TRUE
"Nigericin"	NA	NA	NA	573.188	NA	"8"	0.204956739980892	221.88957263	2.26994608612938e-05	TRUE
"Nigericin"	NA	NA	NA	580.134	NA	"8"	-0.922860631777539	194.64446546	1.99122670489084e-05	FALSE
"Nigericin"	NA	NA	NA	583.175	NA	"8"	-0.278575818189492	7100.821918505	0.000726419125115431	FALSE
"Nigericin"	NA	NA	NA	589.224	NA	"8"	0.259267360589335	295.832520469	3.0263876937929e-05	TRUE
"Nigericin"	NA	NA	NA	597.137	NA	"8"	0.0962309118248645	733.689611459	7.50569683029789e-05	TRUE
"Nigericin"	NA	NA	NA	599.176	NA	"8"	0.4954055574688	643.235493679	6.58034478154985e-05	TRUE
"Nigericin"	NA	NA	NA	605.112	NA	"8"	-0.131821024710719	667.355635634	6.82709554671057e-05	FALSE
"Nigericin"	NA	NA	NA	607.207	NA	"8"	0.386404570315643	160.19072342	1.63876247699032e-05	TRUE
"Nigericin"	NA	NA	NA	641.29	NA	"8"	0.525836751321722	128.127842899	1.31075693222306e-05	TRUE
"Nigericin"	NA	NA	NA	643.054	NA	"8"	-0.122597010721492	200.36151887	2.04971256728809e-05	FALSE
"Nigericin"	NA	NA	NA	649.15	NA	"8"	0.0135917112326882	318.911627299	3.26248859569277e-05	TRUE
"Nigericin"	NA	NA	NA	659.2	NA	"8"	-0.0208921009305321	191.511249542	1.95917368353539e-05	FALSE
"Nigericin"	NA	NA	NA	662.044	NA	"8"	0.641603671405639	564.714775576	5.77707225898213e-05	TRUE
"Nigericin"	NA	NA	NA	662.839	NA	"8"	-0.770778338634856	298.1920786	3.05052614104381e-05	FALSE
"Nigericin"	NA	NA	NA	665.097	NA	"8"	0.173815491725012	7548.058466541	0.000772171741597377	TRUE
"Nigericin"	NA	NA	NA	665.749	NA	"8"	0.300790361762257	281.057827949	2.87524154004613e-05	TRUE
"Nigericin"	NA	NA	NA	669.122	NA	"8"	0.0967591317188712	356.941339497	3.65153525226741e-05	TRUE
"Nigericin"	NA	NA	NA	673.1	NA	"8"	0.367543680004672	302.894679066	3.09863407777965e-05	TRUE
"Nigericin"	NA	NA	NA	685.782	NA	"8"	0.989073483112958	2607.612306107	0.000266760590785424	TRUE
"Nigericin"	NA	NA	NA	687.162	NA	"8"	0.117209497383374	3219.00846012	0.00032930685154147	TRUE
"Nigericin"	NA	NA	NA	687.93	NA	"8"	-0.295647504227922	432.271391383	4.4221670328409e-05	FALSE
"Nigericin"	NA	NA	NA	689.222	NA	"8"	0.0990170536326388	331.674744123	3.39305618721164e-05	TRUE
"Nigericin"	NA	NA	NA	689.69	NA	"8"	-0.0874519018397863	218.260694507	2.2328224052159e-05	FALSE
"Nigericin"	NA	NA	NA	697.766	NA	"8"	0.978490404441732	785.784382825	8.03863004103169e-05	TRUE
"Nigericin"	NA	NA	NA	701.101	NA	"8"	0.731316939349366	315.705478664	3.22968946746288e-05	TRUE
"Nigericin"	NA	NA	NA	703.314	NA	"8"	0.989992321852776	2052.161657913	0.000209937595005967	TRUE
"Nigericin"	NA	NA	NA	703.713	NA	"8"	0.812645867594796	20306.616162854	0.00207738125478592	TRUE
"Nigericin"	NA	NA	NA	704.813	NA	"8"	0.599238844962928	318.047350886	3.25364698660871e-05	TRUE
"Nigericin"	NA	NA	NA	705.992	NA	"8"	0.120548202111509	253.04758263	2.58869474120484e-05	TRUE
"Nigericin"	NA	NA	NA	711.315	NA	"8"	0.151876467907261	280.26337147	2.86711419384535e-05	TRUE
"Nigericin"	NA	NA	NA	715.256	NA	"8"	0.480161788515133	1563.55045611	0.000159952322060259	TRUE
"Nigericin"	NA	NA	NA	715.695	NA	"8"	0.72775020990742	2603.190510313	0.000266308237935432	TRUE
"Nigericin"	NA	NA	NA	717.092	NA	"8"	-0.391884247279159	379.933180811	3.88674342174119e-05	FALSE
"Nigericin"	NA	NA	NA	729.441	NA	"8"	0.804708938857451	21682.60615534	0.002218146008216	TRUE
"Nigericin"	NA	NA	NA	729.694	NA	"8"	0.786614968968642	859696.24143705	0.0879475360369561	TRUE
"Nigericin"	NA	NA	NA	730.964	NA	"8"	0.975276542575758	1660.164900783	0.000169836048363826	TRUE
"Nigericin"	NA	NA	NA	732.111	NA	"8"	0.177582057430054	456.192295545	4.66687958122979e-05	TRUE
"Nigericin"	NA	NA	NA	738.222	NA	"8"	-0.112157886239301	289.26318264	2.95918290126186e-05	FALSE
"Nigericin"	NA	NA	NA	747.371	NA	"8"	-0.0779329807538978	3244089.5208734	0.331872661868578	FALSE
"Nigericin"	NA	NA	NA	747.847	NA	"8"	1	9775103.20557247	1	TRUE
"Nigericin"	NA	NA	NA	748.688	NA	"8"	0.871801308846705	19038.053184765	0.00194760636122103	TRUE
"Omethoate"	NA	NA	NA	87.929	NA	"2"	0.868211031404848	429.379247656	0.00784836708858288	TRUE
"Omethoate"	NA	NA	NA	124.897	NA	"2"	0.63416703268722	307.230954691	0.00561569131846479	TRUE
"Omethoate"	NA	NA	NA	140.943	NA	"2"	0.28867995166299	2547.8089448	0.0465698796099839	TRUE
"Omethoate"	NA	NA	NA	153.952	NA	"2"	0.445002235355301	1394.67151636	0.0254923685486383	TRUE
"Omethoate"	NA	NA	NA	154.898	NA	"2"	0.903281466013988	3686.16078187	0.0673771336681627	TRUE
"Omethoate"	NA	NA	NA	157.948	NA	"2"	-0.171952225299012	5749.6453247	0.10509433649563	FALSE
"Omethoate"	NA	NA	NA	171.95	NA	"2"	-0.593063434599588	180.908488267	0.0033067183221149	FALSE
"Omethoate"	NA	NA	NA	173.018	NA	"2"	0.59156649019933	570.920797354	0.0104355206279798	TRUE
"Omethoate"	NA	NA	NA	181.925	NA	"2"	0.167929175305517	2353.4972763	0.0430181725530914	TRUE
"Omethoate"	NA	NA	NA	182.907	NA	"2"	1	54709.3736582	1	TRUE
"Omethoate"	NA	NA	NA	195.97	NA	"2"	0.967697478321254	12714.1094668	0.232393621360613	TRUE
"Omethoate"	NA	NA	NA	214.033	NA	"2"	0.989920907401226	20372.4348769	0.37237558236689	TRUE
"Prochloraz"	NA	NA	NA	201.986	NA	"1"	0.654532994188289	320.311538685	0.00111224181016321	TRUE
"Prochloraz"	NA	NA	NA	238.099	NA	"1"	0.419623954559818	257.66075992	0.000894694806181419	TRUE
"Prochloraz"	NA	NA	NA	244.082	NA	"1"	0.717875977812794	894.255809314	0.00310519160247456	TRUE
"Prochloraz"	NA	NA	NA	245.134	NA	"1"	-0.306469344418807	179.53681564	0.000623419167595921	FALSE
"Prochloraz"	NA	NA	NA	265.97	NA	"1"	0.959110121105955	6848.746319913	0.0237814161659027	TRUE
"Prochloraz"	NA	NA	NA	280.082	NA	"1"	0.945296169467766	2133.000283721	0.00740657706676483	TRUE
"Prochloraz"	NA	NA	NA	291.007	NA	"1"	-0.00151994503068215	389.368725297	0.00135203426521318	TRUE
"Prochloraz"	NA	NA	NA	294.043	NA	"1"	0.133059143955174	1008.16582397	0.00350072990064777	TRUE
"Prochloraz"	NA	NA	NA	303.009	NA	"1"	0.495070256706509	206.674549112	0.000717651557489022	TRUE
"Prochloraz"	NA	NA	NA	308.012	NA	"1"	1	287987.3205252	1	TRUE
"Prochloraz"	NA	NA	NA	310.113	NA	"1"	0.322378179260344	261.194522859	0.000906965356608971	TRUE
"Prochloraz"	NA	NA	NA	315.053	NA	"1"	-0.154138467883504	338.202372563	0.00117436549618304	FALSE
"Prochloraz"	NA	NA	NA	316.099	NA	"1"	-0.0399268222906899	2865.441486445	0.00994988765900984	FALSE
"Prochloraz"	NA	NA	NA	318.151	NA	"1"	0.092384504879909	199.611021524	0.000693124340196544	TRUE
"Prochloraz"	NA	NA	NA	330.215	NA	"1"	0.0921833864370504	276.492937091	0.000960087189209449	TRUE
"Prochloraz"	NA	NA	NA	332.181	NA	"1"	0.3876058495216	376.843055239	0.00130854044043243	TRUE
"Prochloraz"	NA	NA	NA	333.889	NA	"1"	0.847586588601703	113.467085369	0.000394000281547365	TRUE
"Prochloraz"	NA	NA	NA	335.042	NA	"1"	-0.1360577095389	215.835879809	0.000749463134055284	FALSE
"Prochloraz"	NA	NA	NA	340.17	NA	"1"	0.393974584266385	381.260290641	0.00132387873863925	TRUE
"Prochloraz"	NA	NA	NA	344.135	NA	"1"	-0.119541691585983	1388.246995462	0.00482051429531782	FALSE
"Prochloraz"	NA	NA	NA	358.239	NA	"1"	-0.0333640421174193	811.082062751	0.00281638115619756	FALSE
"Prochloraz"	NA	NA	NA	358.985	NA	"1"	-0.139135961325793	228.147804732	0.000792214755552185	FALSE
"Prochloraz"	NA	NA	NA	376.176	NA	"1"	0.213578908908872	10308.57720772	0.035795246780033	TRUE
"Prochloraz"	NA	NA	NA	377.023	NA	"1"	-0.0453165711816044	369.333282477	0.00128246369251066	FALSE
"Prochloraz"	NA	NA	NA	135.973	NA	"7"	0.114630923350083	143.928166396	0.000949178809656671	TRUE
"Prochloraz"	NA	NA	NA	202.005	NA	"7"	0.258425894565265	394.165222649	0.00259944447435434	TRUE
"Prochloraz"	NA	NA	NA	233.023	NA	"7"	-0.273261446171226	190.591785906	0.00125691648137069	FALSE
"Prochloraz"	NA	NA	NA	234.035	NA	"7"	-0.291827718735545	278.200731283	0.00183468076872653	FALSE
"Prochloraz"	NA	NA	NA	238.026	NA	"7"	-0.028173451732356	205.77438355	0.00135704281744572	FALSE
"Prochloraz"	NA	NA	NA	244.054	NA	"7"	0.485699748004766	872.686310784	0.0057551997945598	TRUE
"Prochloraz"	NA	NA	NA	266.002	NA	"7"	0.963071423354662	4327.34904575	0.0285380417125085	TRUE
"Prochloraz"	NA	NA	NA	280.094	NA	"7"	0.73706774686317	1298.919650077	0.00856612738265254	TRUE
"Prochloraz"	NA	NA	NA	293.094	NA	"7"	-0.0928829745817302	200.444505207	0.00132189328620453	FALSE
"Prochloraz"	NA	NA	NA	294.038	NA	"7"	-0.131949255889773	1575.694126647	0.0103914022735398	FALSE
"Prochloraz"	NA	NA	NA	304.076	NA	"7"	-0.195251390549766	809.598223213	0.00533914588820071	FALSE
"Prochloraz"	NA	NA	NA	308.049	NA	"7"	1	151634.4074812	1	TRUE
"Prochloraz"	NA	NA	NA	310.076	NA	"7"	-0.143486884545167	105.641312124	0.000696684307201831	FALSE
"Prochloraz"	NA	NA	NA	315.042	NA	"7"	0.245421552872291	440.677309527	0.00290618281725825	TRUE
"Prochloraz"	NA	NA	NA	316.046	NA	"7"	0.202875988168563	2305.138855487	0.0152019511519692	TRUE
"Prochloraz"	NA	NA	NA	333.982	NA	"7"	0.674615895655882	201.20180177	0.00132688751261778	TRUE
"Prochloraz"	NA	NA	NA	344.079	NA	"7"	-0.113070554769094	697.322455414	0.0045987086110417	FALSE
"Prochloraz"	NA	NA	NA	358.19	NA	"7"	-0.564930888257682	305.289077308	0.00201332324489645	FALSE
"Prochloraz"	NA	NA	NA	360.155	NA	"7"	-0.502928639051151	135.6890707	0.000894843544772799	FALSE
"Prochloraz"	NA	NA	NA	375.87	NA	"7"	-0.181127485034532	375.156909479	0.00247408827396587	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	112.779	NA	"5"	0.325044247148387	527.826451544	0.0576739280872289	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	127.908	NA	"5"	-0.0640430379042245	236.805536746	0.0258749925415739	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	128.987	NA	"5"	-0.277635803719822	209.208140355	0.0228595122635519	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	129.898	NA	"5"	0.000709137026072913	354.06029941	0.038687049856979	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	130.911	NA	"5"	-0.578543677033297	318.10253716	0.0347580588257077	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	139.929	NA	"5"	0.12887185625977	1235.91298662	0.135044305763544	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	143.998	NA	"5"	0.373261174761825	305.941217187	0.033429229829895	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	154.942	NA	"5"	1	9151.9074398	1	TRUE
"p-Toluenesulfonamide"	NA	NA	NA	156.842	NA	"5"	-0.117743180396952	2257.3347168	0.246651829866991	FALSE
"p-Toluenesulfonamide"	NA	NA	NA	171.922	NA	"5"	-0.357274519521877	7086.8286743	0.774355370278403	FALSE
"Rifaximin"	NA	NA	NA	346.156	NA	"8"	0.728429173484556	176.740460381	0.000392943004325989	TRUE
"Rifaximin"	NA	NA	NA	347.215	NA	"8"	0.551480939860562	845.098484031	0.00187888804041035	TRUE
"Rifaximin"	NA	NA	NA	348.155	NA	"8"	0.179348753684697	167.926384926	0.00037334687290154	TRUE
"Rifaximin"	NA	NA	NA	360.119	NA	"8"	0.200163985279701	229.001089096	0.000509132859274702	TRUE
"Rifaximin"	NA	NA	NA	361.258	NA	"8"	0.700514149024748	256.791428577	0.000570918482461169	TRUE
"Rifaximin"	NA	NA	NA	362.153	NA	"8"	0.908194936508141	4488.974861598	0.00998023465966812	TRUE
"Rifaximin"	NA	NA	NA	388.191	NA	"8"	0.63244225649038	458.896043769	0.00102025302934701	TRUE
"Rifaximin"	NA	NA	NA	456.166	NA	"8"	0.766811495693977	248.79816724	0.000553147248204154	TRUE
"Rifaximin"	NA	NA	NA	494.242	NA	"8"	0.51297218010457	561.101913887	0.00124748499183791	TRUE
"Rifaximin"	NA	NA	NA	512.255	NA	"8"	0.562289965734367	950.848405878	0.00211399941167317	TRUE
"Rifaximin"	NA	NA	NA	570.3	NA	"8"	0.338156532760222	482.596581437	0.00107294589014035	TRUE
"Rifaximin"	NA	NA	NA	622.121	NA	"8"	0.186144048287016	595.90526104	0.0013248624738328	TRUE
"Rifaximin"	NA	NA	NA	624.338	NA	"8"	0.823777819004196	345.76896097	0.000768740185656059	TRUE
"Rifaximin"	NA	NA	NA	640.271	NA	"8"	0.305127871832912	242.34437657	0.000538798683706279	TRUE
"Rifaximin"	NA	NA	NA	658.357	NA	"8"	0.600134887843284	633.800680162	0.00140911448838505	TRUE
"Rifaximin"	NA	NA	NA	672.354	NA	"8"	-0.108595525134696	256.3156743	0.000569860748909257	FALSE
"Rifaximin"	NA	NA	NA	676.362	NA	"8"	0.851831244395334	3521.297128727	0.00782881899200492	TRUE
"Rifaximin"	NA	NA	NA	676.652	NA	"8"	0.663026015501381	1354.23228747	0.00301083352644092	TRUE
"Rifaximin"	NA	NA	NA	690.323	NA	"8"	0.538589896436938	329.921241745	0.000733506315660688	TRUE
"Rifaximin"	NA	NA	NA	690.733	NA	"8"	-0.143300097159239	199.258279815	0.000443006354846814	FALSE
"Rifaximin"	NA	NA	NA	694.315	NA	"8"	0.976250294569171	13176.79045907	0.029295655444143	TRUE
"Rifaximin"	NA	NA	NA	694.675	NA	"8"	0.485090629105654	2340.68678512	0.0052039951437745	TRUE
"Rifaximin"	NA	NA	NA	700.824	NA	"8"	0.396844712081517	259.470815652	0.000576875502176593	TRUE
"Rifaximin"	NA	NA	NA	703.048	NA	"8"	0.338525737242399	180.17039776	0.00040056870528574	TRUE
"Rifaximin"	NA	NA	NA	704.001	NA	"8"	0.184179884919558	1021.845474262	0.00227184556240179	TRUE
"Rifaximin"	NA	NA	NA	708.337	NA	"8"	0.161277644177134	765.49311641	0.00170190325579431	TRUE
"Rifaximin"	NA	NA	NA	708.837	NA	"8"	0.603627393944018	566.135319689	0.00125867564729714	TRUE
"Rifaximin"	NA	NA	NA	718.36	NA	"8"	0.886076915189961	1544.86607077	0.00343466523636434	TRUE
"Rifaximin"	NA	NA	NA	718.636	NA	"8"	0.631861760218661	625.064932854	0.00138969250212996	TRUE
"Rifaximin"	NA	NA	NA	726.183	NA	"8"	0.436210154679794	780.54448371	0.00173536661485384	TRUE
"Rifaximin"	NA	NA	NA	726.856	NA	"8"	0.683818622475658	367.037548538	0.000816026147674741	TRUE
"Rifaximin"	NA	NA	NA	727.651	NA	"8"	0.456657852307783	308.91019535	0.000686792939014015	TRUE
"Rifaximin"	NA	NA	NA	736.341	NA	"8"	0.963587972826795	20359.23705387	0.0452642239161706	TRUE
"Rifaximin"	NA	NA	NA	736.749	NA	"8"	0.475488850792648	10027.19182742	0.0222932251795978	TRUE
"Rifaximin"	NA	NA	NA	750.323	NA	"8"	0.24587454682353	431.02099704	0.000958279078482518	TRUE
"Rifaximin"	NA	NA	NA	750.743	NA	"8"	0.648035546708184	363.814557991	0.000808860546851238	TRUE
"Rifaximin"	NA	NA	NA	754.396	NA	"8"	0.985440295816136	182701.2351504	0.406195457900849	TRUE
"Rifaximin"	NA	NA	NA	754.972	NA	"8"	0.060221206927448	15844.77037246	0.0352273138792795	TRUE
"Rifaximin"	NA	NA	NA	768.384	NA	"8"	0.894497716561007	4371.18513866	0.00971835547529683	TRUE
"Rifaximin"	NA	NA	NA	768.719	NA	"8"	0.727989068923473	3834.252394655	0.00852460524348515	TRUE
"Rifaximin"	NA	NA	NA	786.35	NA	"8"	1	449786.5044936	1	TRUE
"Rifaximin"	NA	NA	NA	787.09	NA	"8"	0.502031583649476	1585.108786094	0.00352413594062504	TRUE
"Spinosad A (Spinosyn A)"	NA	NA	NA	650.105	NA	"10"	-0.295273763707928	301.336536892	0.000725005400459278	FALSE
"Spinosad A (Spinosyn A)"	NA	NA	NA	672.093	NA	"10"	0.592104618732529	147.356142516	0.000354533838534279	TRUE
"Spinosad A (Spinosyn A)"	NA	NA	NA	714.194	NA	"10"	0.248716789000196	156.982562536	0.000377694675827935	TRUE
"Spinosad A (Spinosyn A)"	NA	NA	NA	732.278	NA	"10"	-0.252914244331709	391698.27023234	0.94241264002707	FALSE
"Spinosad A (Spinosyn A)"	NA	NA	NA	732.893	NA	"10"	1	415633.506593342	1	TRUE
"TCMTB"	NA	NA	NA	80.875	NA	"4"	0.37122794225711	225.766800173	0.00370523391040966	TRUE
"TCMTB"	NA	NA	NA	133.094	NA	"4"	0.852030361970682	108.790925507	0.00178545218351194	TRUE
"TCMTB"	NA	NA	NA	138.896	NA	"4"	-0.433048450364907	146.048198231	0.00239691015784902	FALSE
"TCMTB"	NA	NA	NA	156.877	NA	"4"	-0.228697268192068	531.528373955	0.00872332404061995	FALSE
"TCMTB"	NA	NA	NA	167.041	NA	"4"	0.150333851615877	212.684405793	0.00349052859833993	TRUE
"TCMTB"	NA	NA	NA	178.951	NA	"4"	-0.17837964882576	1037.96452143	0.0170348401078349	FALSE
"TCMTB"	NA	NA	NA	179.977	NA	"4"	0.789611889046075	20869.9768059	0.342513362068421	TRUE
"TCMTB"	NA	NA	NA	193.159	NA	"4"	-0.166605827659421	150.142760278	0.00246410918858868	FALSE
"TCMTB"	NA	NA	NA	194.989	NA	"4"	-0.182545269304725	161.612817282	0.00265235318253724	FALSE
"TCMTB"	NA	NA	NA	197.031	NA	"4"	-0.242749284253616	110.914985894	0.00182031178451457	FALSE
"TCMTB"	NA	NA	NA	203.055	NA	"4"	-0.312531258837773	175.738325112	0.00288417783777161	FALSE
"TCMTB"	NA	NA	NA	205.968	NA	"4"	-0.0611854467140295	132.843214032	0.00218019292926153	FALSE
"TCMTB"	NA	NA	NA	206.98	NA	"4"	-0.101127912669245	1589.964396964	0.0260941378247854	FALSE
"TCMTB"	NA	NA	NA	209.012	NA	"4"	-0.156399927520568	1072.447051034	0.0176007596226065	FALSE
"TCMTB"	NA	NA	NA	210.982	NA	"4"	0.17680025099723	170.462800996	0.0027975971233583	TRUE
"TCMTB"	NA	NA	NA	211.962	NA	"4"	0.793502338978203	8421.26882924	0.138207968624554	TRUE
"TCMTB"	NA	NA	NA	221.087	NA	"4"	-0.0518016280736369	625.5821654935	0.010266913698373	FALSE
"TCMTB"	NA	NA	NA	223.015	NA	"4"	-0.122424017975061	256.69197036	0.00421277084309532	FALSE
"TCMTB"	NA	NA	NA	225.026	NA	"4"	0.390061336386313	194.082402714	0.00318523671061755	TRUE
"TCMTB"	NA	NA	NA	239.083	NA	"4"	1	60931.861694	1	TRUE
"TCMTB"	NA	NA	NA	80.859	NA	"9"	0.549865964475631	504.416463383	0.00917134682541392	TRUE
"TCMTB"	NA	NA	NA	88.976	NA	"9"	0.273419517248319	149.391085399	0.00271624254218471	TRUE
"TCMTB"	NA	NA	NA	98.894	NA	"9"	0.0268615674356339	125.761179447	0.00228660140500962	TRUE
"TCMTB"	NA	NA	NA	108.996	NA	"9"	-0.0050585394018223	210.522521964	0.00382773998006215	FALSE
"TCMTB"	NA	NA	NA	118.941	NA	"9"	-0.575036022788827	127.158565038	0.00231200879916552	FALSE
"TCMTB"	NA	NA	NA	121.035	NA	"9"	0.2643504960095	157.729379176	0.00286785017142061	TRUE
"TCMTB"	NA	NA	NA	122.98	NA	"9"	0.138078449569876	205.188810103	0.00373076193732346	TRUE
"TCMTB"	NA	NA	NA	125.034	NA	"9"	0.0397963868912145	122.26306915	0.00222299843980867	TRUE
"TCMTB"	NA	NA	NA	133.03	NA	"9"	0.054650495781933	412.972375868	0.00750870196226088	TRUE
"TCMTB"	NA	NA	NA	134.918	NA	"9"	0.351599225445259	188.844723215	0.00343359223673672	TRUE
"TCMTB"	NA	NA	NA	138.955	NA	"9"	0.13572014041587	204.951471794	0.00372644663022147	TRUE
"TCMTB"	NA	NA	NA	147.15	NA	"9"	0.320466356718487	192.940634707	0.00350806447859693	TRUE
"TCMTB"	NA	NA	NA	148.979	NA	"9"	0.223591193175522	126.687723869	0.00230344792145027	TRUE
"TCMTB"	NA	NA	NA	151.037	NA	"9"	0.750680255774775	238.69669676	0.00434000543397092	TRUE
"TCMTB"	NA	NA	NA	152.995	NA	"9"	-0.617016081640096	164.52813863	0.00299146584509828	FALSE
"TCMTB"	NA	NA	NA	156.887	NA	"9"	-0.0259627241174842	524.488719947	0.00953630245212462	FALSE
"TCMTB"	NA	NA	NA	161.118	NA	"9"	-0.204251008676577	241.425545684	0.00438962161768608	FALSE
"TCMTB"	NA	NA	NA	163.056	NA	"9"	0.0215068549108266	132.498260018	0.00240909562752766	TRUE
"TCMTB"	NA	NA	NA	165.083	NA	"9"	-0.207871487711712	231.5828352	0.00421066054463649	FALSE
"TCMTB"	NA	NA	NA	166.953	NA	"9"	-0.249110866776093	119.464797018	0.00217211999689992	FALSE
"TCMTB"	NA	NA	NA	175.052	NA	"9"	-0.0313920946703947	383.484092949	0.00697254327282744	FALSE
"TCMTB"	NA	NA	NA	177.075	NA	"9"	0.41501815921315	181.200629236	0.00329460661248235	TRUE
"TCMTB"	NA	NA	NA	179.038	NA	"9"	-0.313553092985572	1750.86946875	0.0318344707391953	FALSE
"TCMTB"	NA	NA	NA	179.947	NA	"9"	1	54999.170022145	1	TRUE
"TCMTB"	NA	NA	NA	181.007	NA	"9"	0.302297168291448	596.373793601	0.010843323514898	TRUE
"TCMTB"	NA	NA	NA	183.01	NA	"9"	0.298579746612432	494.953159792	0.0089992841636103	TRUE
"TCMTB"	NA	NA	NA	193.085	NA	"9"	-0.221705058166404	809.099626569	0.0147111242995707	FALSE
"TCMTB"	NA	NA	NA	195.062	NA	"9"	0.292986177252399	725.98131943	0.0131998595458384	TRUE
"TCMTB"	NA	NA	NA	196.131	NA	"9"	0.562805407922502	133.296440371	0.00242360821658453	TRUE
"TCMTB"	NA	NA	NA	197.056	NA	"9"	0.223942590678324	523.726283058	0.00952243975403857	TRUE
"TCMTB"	NA	NA	NA	197.934	NA	"9"	0.0775052332567154	208.4981954115	0.00379093348731535	TRUE
"TCMTB"	NA	NA	NA	203.096	NA	"9"	-0.221096165550379	459.324955954	0.00835148886372388	FALSE
"TCMTB"	NA	NA	NA	206.037	NA	"9"	0.224708424475271	152.820631021	0.00277859885811855	TRUE
"TCMTB"	NA	NA	NA	206.968	NA	"9"	0.0648459873610877	3160.93913257	0.0574724878811311	TRUE
"TCMTB"	NA	NA	NA	209.042	NA	"9"	-0.436829860514424	3198.85811233	0.0581619342808629	FALSE
"TCMTB"	NA	NA	NA	211.115	NA	"9"	-0.280740026389369	578.71673209	0.0105222811881886	FALSE
"TCMTB"	NA	NA	NA	211.964	NA	"9"	0.883363605602239	20718.67312981	0.376708832541796	TRUE
"TCMTB"	NA	NA	NA	219.123	NA	"9"	0.156834806955156	123.263058663	0.00224118034169187	TRUE
"TCMTB"	NA	NA	NA	221.079	NA	"9"	-0.065589553913041	2733.66568752	0.0497037625553133	FALSE
"TCMTB"	NA	NA	NA	223.1	NA	"9"	0.160330819515189	543.135544781	0.0098753407471842	TRUE
"TCMTB"	NA	NA	NA	225.046	NA	"9"	-0.213427886842008	381.507453195	0.00693660382586481	FALSE
"TCMTB"	NA	NA	NA	239.075	NA	"9"	0.0824682602917446	27067.5244917	0.492144235645765	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	78.8	NA	"4"	0.151257867874564	279.873629576	0.00690652095555926	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	108.91	NA	"4"	0.959259374557172	9640.82224867	0.237909305675332	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	125.093	NA	"4"	-0.504318115966813	178.089407913	0.00439476284199285	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	126.982	NA	"4"	0.717921604701925	1076.07612804	0.0265546358881489	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	139.993	NA	"4"	0.278147849900483	1970.98268515	0.0486384988777101	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	144.957	NA	"4"	0.85077548456359	4235.84716059	0.104529202066952	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	184.933	NA	"4"	0.175270400314752	348.909767164	0.00861014530796692	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	187.018	NA	"4"	-0.317527047384557	107.324927324	0.00264848767902871	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	196.962	NA	"4"	-0.0120243563814562	2081.96281053	0.0513771869161251	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	199.081	NA	"4"	0.511848259153306	144.142693995	0.00355705015215411	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	201.178	NA	"4"	0.0484047608338802	127.383673675	0.00314348305328139	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	211.039	NA	"4"	0.522207219270133	156.726169586	0.00386757614917167	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	212.979	NA	"4"	0.251045877916677	334.711538323	0.00825977158690306	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	215.037	NA	"4"	0.123612564840088	412.352368363	0.0101757363760497	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	220.939	NA	"4"	1	40523.0985871	1	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	225.006	NA	"4"	-0.418502449320938	503.974612244	0.012436724480996	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	226.966	NA	"4"	0.029974355651004	177.141063216	0.00437136027086513	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	228.998	NA	"4"	0.686355561238603	1013.548554406	0.0250116252148756	TRUE
"Trichlorfon (Dylox)"	NA	NA	NA	239.072	NA	"4"	-0.223508651705819	1313.5219316555	0.0324141533459547	FALSE
"Trichlorfon (Dylox)"	NA	NA	NA	257.008	NA	"4"	0.950607639404665	25290.7478033	0.624106958379313	TRUE