CODE	Name	R1	R2	R3	R4	R5	R6	R7	R8	R9	R10	R11	R12	R13	R14	R15	R16	R17	R18	R19	R20	R21	R22	R23	R24	R25	R26	p.ttest	p.wilcox	EAS.score	EAS.class	KNN.score	KNN.class
C100005	1-Chloro-4-nitrobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.46367210310714	0.228081058555918	0.64191078007282		0.0638	
C100016	4-Nitroaniline	0	8.92e-05	0	0	0	0	0	0	0.000374	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.18	0	0.588920720161164	0.314374799475097	0.502552274615939		0	
C100027	4-Nitrophenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.275929859847887	0.123335092214348	0.908913337137487		0	
C10016203	alpha-Cyclodextrin	0.000384	0.000579	0.286	0	0	0	0	0	0	0.0113	0.029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.623638175879826	0.289897575625176	0.53775541657674		0	
C100210	Terephthalic acid	0	0	0	0.000168	0	0	0	0	0	0	0	0	0	0	0	0.0843	0	0	0	0	0	0	0	0	0	0	0.344382538313616	0.21792686683498	0.661689225013478		0	
C10025748	Dysprosium(III) chloride	0	0	0	0	7.52e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0241	0	0	0	0	0	0	0.119619711420183	0.0148536762949973	1.82816604486288		NA	
C100378	N,N-Diethylethanolamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00490040687080682	0.000833819274035866	3.07892807021875		0	
C10042598	2-Propyl-1-heptanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.24070508866925	0.0636031254352388	1.19652154274896		0.00695	
C10043353	Boric acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.955289921283407	0.411654301011915	0.385467342669603		NA	
C100516	Benzyl alcohol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.533200631274896	0.404796165310366	0.392763610280007		0	
C100549	3-Pyridinecarbonitrile	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.45911421938992	0.410080075263948	0.38713133145169		0	
C100641	Cyclohexanone oxime	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.19960547406851	0.100624403719814	0.9972966801591		NA	
C1007289	Deisopropylatrazine	0.00394	0	0.00192	0	0	0	0	0	0	0.458	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.488718498819567	0.143294513435413	0.843770437867422		0	
C10081671	4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline	0	0	0	0	0	0	0	0	0.000799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.129	0	0.198879452459094	0.106355905157887	0.973238391926859		0	
C1008726	Sodium 2-formylbenzenesulfonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.507880636164159	0.373590644553582	0.42760400789598		0	
C10094345	1,1-Dimethyl-2-phenylethyl butanoate	0	0	0	0	0	0.000324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0982	0	0	0	0	0	0.0588445952214188	0.0409511466221776	1.38773393359311		0	
C100970	Methenamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0553969471020649	0.00877564930091078	2.05672074068887		NA	
C101020	Triphenyl phosphite	0.0021	0	0	2.92e-06	0	0.064	0	0	0	0	0	0	0	0	0	0	0	0.0172	0	0	0.00493	0.000644	0	0	0	0	0.379160950483885	0.226848525993334	0.644264038328936		0.0314	
C101053	Anilazine	4.31e-05	0	0	0	0	0	0	0.478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.593776282071826	0.428483082557169	0.368066320291794		NA	
C101100	Cloprop	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0895372479194339	0.0553356472475671	1.25699500585119		0	
C101202	Triclocarban	0	0.000479	0	0	0	0	0	0	0.105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.112	0	0.409293464658706	0.347101954527011	0.459542940814599		0	
C101213	Chlorpropham	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.282727701136853	0.20975921735999	0.678278946062418		0	
C101371	2,4,6-Tris(allyloxy)-1,3,5-triazine	0	5.89e-07	0	0.0264	0	0	0	0	0	0	0	0	0	0	0	0.00435	0	0.0118	0	0	0	0	0	0	0	0	0.579121605560402	0.389436765293255	0.409563050735168		NA	
C101428	Fenuron	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.266001366616998	0.135442322614786	0.868245607393685		0	
C101463698	Flufenoxuron	0	0	0	0	0	0	0	0	0.00143	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0629	0.100198072128809	0.0719762270118922	1.14281092276872		0	
C101542	N-Phenyl-1,4-benzenediamine	0.000215	0	0	0	0	0.0918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00244	0.00877	0	0	0	0	0.496386456909617	0.304758205688545	0.516044592067978		0.0158	
C101553	p-Bromodiphenyl ether	0.00744	3.71e-07	0	0.000561	0	0.0495	0	0	0	0	0	0	0.00503	0	0.0108	0	0	0	0	0	0.00709	0.000937	0	0	0	0	0.238539244964185	0.172137513009452	0.764124475879907		0	
C101611	4,4'-Methylenebis(N,N-dimethylaniline)	0.0518	0	0	0	0	0	0	0.0526	0	0	0	0	0	0	0	0	0	0	0	0	0.00607	0	0	0	0	0	0.0965722083575816	0.0463602683137806	1.33385405918693		0	
C10161338	17beta-Trenbolone	0.475	0	0.000863	0	0	0	0	0.0415	0	0	0.0108	0	0	0	0	0	0	0	0	0	0	0	0	0.0017	0	0	0.0867434976189598	0.0601812036679675	1.22053913030267		0	
C101779	4,4'-Methylenedianiline	0.00885	0	0	0	0	0.0454	6.67e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00379	0.0046	0	0.00139	0	0	0.546659686097575	0.225865392188769	0.646150307959054		0.0113	
C101804	4,4'-Oxydianiline	0.00457	0	0	0	0	0.0979	0	0	0	0	0	0	0	0	0.00515	0	0	0	0	0	0.000898	0.00447	0	0	0	0	0.258926139007043	0.153695795396243	0.81333801318462		0	
C101815	Diphenylmethane	0.0207	0	0	0	6.23e-07	0.00198	5.49e-06	0	0	0	0	0	0	0	0.000158	0	0	0	0	0	0	0	0	0.000787	0	0	0.633811735755019	0.265590718559172	0.575787106069709		0	
C101837	Dicyclohexylamine	0	0	0	0	0	0.0787	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0332	0	0	0	0	0.108287282836673	0.0626580363078059	1.20302321995619		0	
C101848	Diphenyl oxide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.336556116761364	0.243330349666959	0.61380371979559		0	
C101860	2-Benzylideneoctanal	0.00983	0	0	0	0	0.00618	3.56e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	1.93e-05	0.0485	0	0.0514	0	0	0.0740476218078336	0.0559468411054029	1.25222442976515		0	
C102067	1,3-Diphenylguanidine	0	0.000156	0	0	0	0	0	0	0.000784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.112	0.474312397760188	0.417877826700122	0.378950672640206		NA	
C10222012	2,2-Dibromo-3-nitrilopropionamide	0	0	0	0	0	0.0987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0113	0	0	0	0	0	0.507275615919216	0.406801980231302	0.390616941684804		NA	
C102272	N-Ethyl-3-methylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.189858191472445	0.101781823686382	0.992329771876588		0	
C1024573	Heptachlor epoxide	0.00739	0	0	0.0221	0	0.000168	0	0	0	0	0	0	0	0	0	0	0.00311	0	0	0	0.224	0	0	0	0	0	0.305161092349187	0.199864161600002	0.699265073889554		0	
C102603	N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine	0	0	0	0	0	0	4.6e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.074	0	0	0.00481684518768739	0.00149641474386899	2.82494802143788		0	
C10265926	Methamidophos	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.938196077043827	0.632887995800117	0.198673141657118		NA	
C102676313	Fadrozole hydrochloride	0.0825	0	0	0	0	0	0	0.116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.196810051833703	0.116744728479652	0.932762720559583		NA	
C102716	Triethanolamine	0	0	0	0	0	7.86e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.149	0	0	0	0	0.00946302117266139	0.00167514250330497	2.77594824190085		0	
C102761	Triacetin	0.0182	0	0	0	0	0.0211	6.04e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00626	0	0	0.0501	0	0	0.459103713959876	0.202618397787939	0.693321123166159		0	
C102829	Tributylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00534592439889728	0.000574280748551558	3.24087574220388		0	
C103055078	Lufenuron	0	0	0	0	0	0.000373	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.147	0	0	0	0	0.0910095564678611	0.052474568289704	1.28005112568831		0	
C103093	2-Ethylhexyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.223917979847033	0.0500122759050449	1.30092338159486		0	
C1031078	Endosulfan sulfate	0	0.00235	0	0	0	0.000701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.117	0	0	0	0.0334	0.145646269325864	0.106658469530824	0.972004652409063		0	
C103117	2-Ethylhexyl acrylate	0	2.16e-05	0	0	0.00329	0	0	0	0	0	0	0	0	0	0	0	0	0	0.197	0	0	0	0	0	0	0	0.161541525217357	0.0449287549311948	1.34747561643934		0	
C103231	Di(2-ethylhexyl) adipate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.268587243678151	0.0443096481106898	1.35350169894588		0	
C103242	Bis(2-ethylhexyl) nonanedioate	0	0	0	0	0	5.4e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0392	0	0	0	0	0.247583935162605	0.0405462347090017	1.39204946996155		0	
C103333	Azobenzene	0	0	0	0	0	1.73e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0381	0	0	0	0	0.590697274093506	0.286426439630479	0.542986895387808		0	
C103344	4,4'-Dithiodimorpholine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0177	0	0	0	0	0	0.0124204499900196	0.00409737931142091	2.38749382974181		0	
C103361097	Flumioxazin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00630731010314866	0.00166344431382851	2.77899173317916		NA	
C1034011	Octyl gallate	0.0144	0.0768	2.92e-06	0	0	0.000869	0	0	0	0	0	0.0244	0	0	3.66e-05	0	0	0	0.00745	0	0.0235	0	0	0	0	0	0.0354896026811567	0.0258322228860774	1.58783822078681		0.0773	
C103413	Benzyl cinnamate	0	0	0	0	0	0	0.000256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.119	0	0	0.178475419922153	0.138848253374758	0.857459579035621		0	
C103651	Propylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.164115534628874	0.0969780938061459	1.01332635659509		0	
C103695	N-Ethylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.167814420235089	0.0787018957966738	1.10401480608925		0	
C103764	1-Piperazineethanol	0	0	0	0	4.91e-08	0	0	0	0	0	0	0	0	0	0	0	0	0	0.146	0	0	0	0	0	0	0	0.00941472061056793	0.00217447864243268	2.66264485358576		0	
C103902	Acetaminophen	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0999033704990864	0.0646621148455534	1.1893500954137		NA	
C104098488	Imazapic	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.115212863237088	0.0467848327098828	1.32989491910594		0	
C104132	4-Butylaniline	0.00355	0	0	0	0	0.0769	0	0	0	0	0	0	0	0	0.000479	0	0	0	0	0	0.0283	0	0	0	0	0	0.0279726533529276	0.0205369655114302	1.68746372622065		0.0357	
C104206828	Mesotrione	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0284535254538778	0.0164441442630975	1.78398872184593		NA	
C104405	4-Nonylphenol	0.088	0	0	0	0	0.064	7.82e-06	0	0	0	0	0	0	0	0	9.39e-06	0	2.08e-05	0	0	0.00725	0.00445	0	0.00175	0	0	0.0377312690376622	0.0305230050984585	1.51537271077514		0	
C104438	4-Dodecylphenol	0.41	0	0	6.02e-06	0.000105	0.0385	0	0.00127	0	0	0	0	0	0	0	0	5.04e-05	0	0.000131	0	0.00298	0.00648	0	0.000522	0	0	0.0377312690376622	0.0305230050984585	1.51537271077514		0	
C104450	4-Propylanisole	0	0	0	0	0	0	0.000527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0671	0	0	0.0622768300407547	0.0645933832905044	1.18981196726185		0	
C104518	Butylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0709728484024706	0.0534442501948365	1.27209901155858		0	
C10453868	Resmethrin	0.00944	0	0	0	0	0	2.23e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0227	0	0	0.00832	0.0301	0	0.050358009849832	0.030805995208073	1.51136475647314		0	
C104541	3-Phenyl-2-propen-1-ol	0.00786	0	0	0	0	0.0675	0.000141	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000429	0.00469	0	0.0112	0	0	0.504358051312933	0.442954685221726	0.35364070033395		0	
C104610	gamma-Nonanolactone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.318386010653378	0.0637730955112616	1.19536250208391		0	
C104665	1,2-Diphenoxyethane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.126427454417055	0.147899084947416	0.83003451297753		0	
C104676	5-Heptyldihydro-2(3H)-furanone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.33085245128771	0.0600837325502984	1.22124309571684		0	
C104767	2-Ethyl-1-hexanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.281799654805247	0.0795449652845648	1.09938730336281		0.00695	
C104795688	CI-959	0	0	0	0	0	0.0453	0	0	0.0385	0	0	0	0	0	0	0	0	0	0	0	2.01e-07	0.00256	0	0	0	0.0473	0.0859135672611368	0.0552444701148285	1.25771118766656		NA	
C105215	1,4-Heptanolide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.376129908370086	0.108216392766738	0.96570694672584		0	
C105373	Ethyl propionate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.299959867018231	0.13006665041543	0.885834043924282		0	
C10540291	Tamoxifen	0.0199	0.447	0.00803	0.0683	0	0	0	0	0	0	0.00177	0	0	0.00201	0.0236	0.01	0.00128	0.0712	0	0	0	0	0	0	0	0	0.0316236415638102	0.0278318588327975	1.55545778705914	EAS low AUC hi	0.686	
C105512069	Clodinafop-propargyl mixt.	0	0.000117	0	0	0	0	0	0	0.00132	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.24	0	0.0342869530291421	0.0165248745736484	1.78186182819204		0.0317	
C105533	Diethyl propanedioate	0.00416	0	0	0	0	3.12e-06	9.54e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0484	0	0.00961	0	0	0.280102329666795	0.127264763433109	0.895291825449959		0	
C105544	Ethyl butyrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.209007050486329	0.0623568761904156	1.20511564921196		0	
C105555	N,N'-Diethylthiourea	0.0196	0	0.000302	0	0	0	0	0	0	0	0	0.114	0	0	0	0	0	0	0	0	0	0	0	0.0304	0	0	0.110555360095616	0.0205773056803941	1.68661149083404		0	
C105602	Caprolactam	0	0	0	0	0	0.00033	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.094	0	0	0	0	0	0.0647534708992728	0.0454685573232162	1.34228882535298		NA	
C105624860	5HPP-33	0.418	0	0.000496	0	0	0.000154	0.000638	0.000488	0	0	1.26e-05	0.00401	0	0	0	0	3.69e-05	0	0.000318	0	0.00991	0	0	0.0365	0	0	0.0551639011080204	0.0383429863736532	1.4163140647733		NA	
C105679	2,4-Dimethylphenol	0	0	0	0	0	1.15e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0305	0	0	0	0	0	0.381474181955274	0.159905748401879	0.796135923656251		0.0164	
C105873	Geranyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.123102564153182	0.0635692061709205	1.1967532118469		0	
C105997	Dibutyl hexanedioate	0	0	0	0	0	3.3e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0905	0	0	0	0	0.203937926174291	0.0310529727788916	1.50789681739825		0	
C10605217	Carbendazim	0	0	0	0	0	0	0.000427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0521	0	0	0.570566088605214	0.293696379318571	0.532101407415429		0	
C1061517621	PharmaGSID_47337	0	8.24e-05	0	0	0	0	0	0	0.000749	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.139	0	0.0318746978193108	0.0156070367638088	1.80667954660377		NA	
C106229	Citronellol	0	0	0	0	0	0.026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0551	0	0	0	0	0	0.256146794288386	0.0871385138344869	1.05978985132		0	
C106230	Citronellal	0	4.84e-06	0	0	0.000372	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0867	0	0	0	0	0	0	0	0.276225350649168	0.10923234184291	0.961648755364511		0	
C106241	Geraniol	0	0	0	0	0	0.00126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0354	0	0	0	0	0	0.146074732677386	0.0632305070267933	1.19907333569341		0	
C106252	(2Z)-3,7-Dimethylocta-2,6-dien-1-ol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.146074732677386	0.0632305070267933	1.19907333569341		0	
C106274	Isopentyl butyrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.218002726985047	0.0575298951217395	1.24010641770214		0	
C106309	Ethyl heptanoate	0.0173	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00843	0	0	0.00316	0	0	0.217198593585654	0.0364336043398528	1.43849786231621		0	
C106434	4-Chlorotoluene	0	0	0	0	0	1.75e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.261	0	0	0	0	0.756444561926763	0.311367456954772	0.506726780346964		0	
C106445	p-Cresol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.40500301677682	0.19442375275918	0.711250678390805		0	
C106456	4-Thiocresol	0	0	0	0	0	0.000242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.124	0	0	0	0	0	0.735301871373864	0.38145309063511	0.418558861984139		NA	
C106467	1,4-Dichlorobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.712971620995503	0.330470346024625	0.480867504818789		0.00507	
C106478	4-Chloroaniline	0	1.73e-07	0	0	0	0	0	0	0.0014	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.193	0	0.658476713102197	0.371098365407011	0.430510958602655		0.0158	
C106489	4-Chlorophenol	0.0293	0.00838	0	0	0	0	0	0	0	0	0.0949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.536002506009796	0.199488318639236	0.700082530047666		0	
C106490	4-Methylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.700308302685612	0.310982750403338	0.507263699759042		0	
C106503	1,4-Benzenediamine	0.0201	0.0158	0	0.00464	0.00643	0	0	0	0	0	0	0	0	0	0	0.00379	0	0.0424	0	0	0	0	0	0	0	0	0.758258720293883	0.432271193167714	0.364243705167604		0	
C106650	Dimethyl succinate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.280089283860988	0.14409648169532	0.841346622926204		0	
C106683	3-Octanone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.150571357077028	0.0370464527152416	1.43125337040936		0	
C1067250	Trimethoxypropylsilane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.140621072781743	0.152152182519854	0.817721813601372		NA	
C1067534	Tris(2-methoxyethoxy)vinylsilane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.197786246644057	0.0911770646447481	1.04011439358951		NA	
C106876	4-Vinyl-1-cyclohexene dioxide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.310914156022542	0.177303200042265	0.751283426000009		NA	
C1068967963	SAR102608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.367619964835337	0.202618487154535	0.693320931616866		NA	
C106934	1,2-Dibromoethane	7.37e-05	0	0	0	0	0.0653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0086	0.00332	0	0	0	0	0.27838559705996	0.471782993908808	0.326257717932566		NA	
C107073	2-Chloroethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.71672407400986	0.154276741683276	0.811699541985904		NA	
C107131	Acrylonitrile	0	0	0	0	0	2.14e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0548	0	0	0	0	0.792623884508669	0.458150620977543	0.338991720455647		NA	
C107186	Allyl alcohol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.775086525711435	0.390618301145682	0.408247413120903		NA	
C107200	Chloroacetaldehyde	0	0	0	0	0	0	0.000458	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0801	0	0	0.529104879498877	0.563702331127974	0.248950169199819		NA	
C107211	Ethylene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.881870403558856	0.160369234734908	0.794878943198912		NA	
C1072157	Sulfuric acid, monononyl ester, sodium salt	0.093	0	1.94e-05	0	0	0.0167	0	0	0	0	0.0128	0	0	0	0	0	0	0	0	0	0.00902	0.00901	0	0.0029	0	0	0.0916868029450353	0.0226161891688949	1.64558057192818		0.0108	
C107302	Chloromethyl methyl ether	0.0306	0	0	0	0	0	0	0.331	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.474124826247216	0.268634882879518	0.570837593832421		NA	
C107415	2-Methyl-2,4-pentanediol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.34714813980861	0.11378031531191	0.943932867034823		0	
C107460	Hexamethyldisiloxane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.468559550141084	0.523881599703874	0.280766855011507		0	
C107517	Octamethyltrisiloxane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.46895964940247	0.51422589275708	0.288846059162615		0	
C107534963	Tebuconazole	0	0	0	7.47e-05	0	0	0	0	0	0	0	0	0	0	0	0	0.0645	0	0	0	0	0	0	0	0	0	0.0124546895284134	0.00476813281876393	2.32165165560572		0.0316	
C107540	3,5-Dimethyl-1-hexyn-3-ol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.339819976779077	0.118031441024787	0.928002290619676		0	
C1076977	1,4-Cyclohexanedicarboxylic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.293634616999758	0.168117922660257	0.774385984969011		0	
C107755	7-Hydroxy-3,7-dimethyloctanal	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.154373702806384	0.0716779084351377	1.14461467589519		0	
C107879	2-Pentanone	0.00202	0.0065	0	1e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.033	0	0.055	0	0	0	0	0	0	0.145932124500656	0.0829596948085727	1.08113285429496		0	
C107880	1,3-Butanediol	0.000104	0	0	0	0	0.101	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000571	0.00373	0	0	0	0	0.398349223348806	0.0871384066265201	1.05979038564007		0	
C107926	Butanoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17351166479657	0.0864930215120642	1.06301893116019		0	
C107982	1-Methoxy-2-propanol	0.0156	3.38e-05	0.0784	0	0	0	0	0	0	0.00293	0.0206	0	0	0	0	0	0	0	0	0	0	0	0	0.000139	0	0	0.751968730706679	0.204391623680209	0.689536906306427		0	
C108010	Dimethylaminoethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0217675327620565	0.00353252220566489	2.4519150994674		NA	
C108112	4-Methyl-2-pentanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.582679070104025	0.205008061258806	0.688229061425299		0	
C108214	Isopropyl acetate	0.0152	0.000759	0	0.000597	0	0	1.17e-07	0	0	0	0	0	0	0	0	0.00115	0	0.0256	0	0.0357	0	0	0	0.0116	0	0	0.557674279937494	0.534257858087154	0.272249081332744		0	
C108327	Propylene carbonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.678789562910317	0.407436041814171	0.389940555923312		0	
C108383	1,3-Dimethylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.80118303138835	0.352752448103196	0.452529963557966		0	
C108394	m-Cresol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.545612267710983	0.263008353878684	0.580030456887444		0	
C108419336	Acetic acid, C8-10-branched alkyl esters, C9-rich	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.20986865775621	0.0543685951578004	1.26465188868484		0	
C108441	3-Methylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.769670466554267	0.366190069925083	0.436293436755276		0	
C108452	1,3-Benzenediamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.775125081457132	0.486642620589637	0.312789857845983		0.0158	
C108463	Resorcinol	0.00321	0.0101	0	0.0063	0	0	0	0	0	0	0	0	0	0	0	0.00196	0	0.0341	0	0.0347	0	0	0	0	0	0	0.585244779142878	0.202544495184343	0.693479555707009		0	
C1085127	Heptylparaben	0.269	0	0.00424	0	0	0	0	0.00468	0	0	0.00302	0	0	0	4.04e-05	0	0.000708	0	0	0	0	0.000394	0	0	0	0	0.0338187239840081	0.0252848562701986	1.59713951073767		0	
C108598	Dimethyl malonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.336785397541009	0.254988206982484	0.593479904902777		0	
C108678	1,3,5-Trimethylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.783681318227556	0.350227379716319	0.455649905097503		0	
C108689	3,5-Dimethylphenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.501428557254903	0.232715114231508	0.633175409518688		0	
C108770	2,4,6-Trichloro-s-triazine	0.00306	0	0	3.46e-06	0	0	4.86e-06	0	0	0	0	0	0	0	0	0	0	0.0021	0	0	0	0	0	0.0622	0	0	0.91794667603255	0.601101534399595	0.221052163429775		NA	
C108805	Cyanuric acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.943912237992353	0.727671117911107	0.138064862375179		0	
C108838	Diisobutyl ketone	0	4.16e-05	0	0.013	0	0	0	0	0	0	0	0	0	0	0	0.00573	0	0	0	0	0	0	0	0	0	0	0.425215211055912	0.214807643561089	0.667950269074243		0	
C108918	Cyclohexylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.329204760647766	0.198267523339363	0.70274841836964		0	
C108930	Cyclohexanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.58567327890017	0.238158670489101	0.623133602785494		0	
C108941	Cyclohexanone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.283857055573603	0.170453816789743	0.76839326963506		0	
C108952	Phenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.585772187809668	0.250117169221731	0.601856495225411		0.0101	
C108985	Benzenethiol	0.00908	0	0	0	0	0.0234	3.39e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0153	0	0	0.0076	0	0	0.668762078741993	0.530708226610836	0.275144180235699		NA	
C109024	4-Methylmorpholine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0112132557754934	0.0025469548004741	2.59397876217375		0	
C109433	Dibutyl decanedioate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.198110619014343	0.0264471808150589	1.57762061556518		0	
C109466	N,N'-Dibutylthiourea	0	0	0	2.24e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0431	0	0	0	0	0	0	0	0	0.0109819383483548	0.0038881140116245	2.41026100869087		0	
C109524	Pentanoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.124335931007827	0.0490645784056498	1.30923192854025		0	
C109557	3-(Dimethylamino)propylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0100952816176289	0.00196623370998103	2.70636486243333		0	
C1095905	Methadone hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0033025933123815	0.00108491866821778	2.96460281782297		NA	
C109773	Propanedinitrile	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.44816009286366	0.35022666762339	0.455650788119111		NA	
C109864	2-Methoxyethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.596655052924628	0.125232855417413	0.902281717015684		0	
C110054	Di-tert-butyl peroxide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.424517583650255	0.327024612902301	0.485419559739133		NA	
C110123	5-Methyl-2-hexanone	0	0	0	0.00638	0	0	0	0	0	0	0	0	0	0.0153	0	0	0	0.018	0	0	0	0	0	0	0	0	0.295934787944552	0.134850649250686	0.87014695825587		0	
C110156	Butanedioic acid	0	0	0	0	0	0	0.000379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0646	0	0	0.241163671916299	0.132794187135144	0.87682093513655		0	
C110167	Maleic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.417256006081981	0.556400259042603	0.254612676485982		0	
C110178	Fumaric acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.417256006081981	0.556400259042603	0.254612676485982		0	
C110235477	Mepanipyrim	7.79e-05	0	0	0	0	0	0.00155	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.147	0	0	0.530212969792321	0.324768551287554	0.488426031966386		0	
C110258	Oleyl sarcosine	0	0.018	0	0	3.36e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0272	0	0	0	0	0	0.00516	0	0.00321954018525076	0.00130261802872124	2.8851829153221		0	
C110269	N,N'-Methylenebisacrylamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.29420501251575	0.173787076439598	0.759982522706994		NA	
C110270	Isopropyl tetradecanoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.300777857885373	0.0505198880237734	1.29653762071986		0	
C110338	Dihexyl hexanedioate	0	0	0	0	0	2.81e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0988	0	0	0	0	0.24103013804051	0.033028178031157	1.48111538310057		0	
C110429	Methyl decanoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.222095340675692	0.0378693797936309	1.42171180748571		0	
C110430	2-Heptanone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.158515819815104	0.0491475635538421	1.30849800705564		0.0065	
C110441	Sorbic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.339563057685905	0.511294668038055	0.291328736226571		0	
C110488705	Dimethomorph	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0131796663607235	0.00709804330146124	2.14886135557615		NA	
C110623	Pentanal	0	0	0	0	0	3.3e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0618	0	0	0	0	0	0.176054923830704	0.118840849026933	0.925034254155527		0	
C110634	1,4-Butanediol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.444403157942124	0.0951687219714492	1.0215057628255		NA	
C110656	2-Butyne-1,4-diol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.821742553514246	0.229895051459887	0.638470376911646		NA	
C110690	Butanal oxime	0	0	0	0	0	0.00031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0857	0	0	0	0	0.138102595090549	0.084324362733354	1.07404693223107		0	
C110736	2-(Ethylamino)ethanol	0	0	0	0	0	0	0.00145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0726	0	0	0.00803795975748816	0.0016287224027626	2.78815292994672		0	
C110805	2-Ethoxyethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.33347930168254	0.0574671220242654	1.24058055195761		0	
C110850	Piperazine	0	0	0	0	0	0	0.000343	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0997	0	0	0.0736927817894295	0.0144777599512588	1.8392986284748		0	
C110872	3,4-Dihydro-2H-pyran	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.34494718045767	0.230474044788118	0.637377976304667		NA	
C110918	Morpholine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0363749057527561	0.0207944144989711	1.68205330340416		NA	
C110974	Diisopropanolamine	0.0651	0	0	0.000512	0	0	0	0.0415	0	0	0	0	0	0.000478	0	0.00298	0	0.000295	0	0	0	0	0	0	0	0	0.0202406925810659	0.00739888021843749	2.13083400347879		0	
C11099073	Glyceryl stearates	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.219528465880195	0.0567496804398038	1.24603657966119		0	
C111115	Methyl octanoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.21396968291003	0.0373783392210003	1.42737999892237		0	
C111148	Heptanoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.143552133511727	0.0366515435916035	1.43590773018523		0.017	
C111159	2-Ethoxyethyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.201821506152427	0.0766047028954712	1.11574456745805		0	
C1111780	Ammonium carbamate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.755272153356877	0.766202244291985	0.115656580254015		NA	
C111206	Decanedioic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.249965561397481	0.0888341653641927	1.05141997368669		0.0142	
C111217	Triethylene glycol diacetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.205580625007356	0.0768792025037986	1.1141911304123		0	
C1112396	Dimethoxydimethylsilane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.621011028049502	0.576960369993507	0.238854016452966		0	
C111273	1-Hexanol	0	0	0	0	0	0	1.74e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0558	0	0	0.229502398117933	0.0464131627166307	1.33335883658893		0	
C111308	Glutaraldehyde	0	0	0	2.21e-06	0	0	0	0	0	0	0	0	0	0	0	0.0317	0	0	0	0	0	0	0	0	0	0	0.351654342404986	0.249079609467564	0.603661823881322		0	
C111400	Diethylenetriamine	0	6.03e-07	0	0	0.000546	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0987	0	0	0	0	0	0	0	0.0614987177996996	0.0118462330851136	1.92641972648296		0	
C111422	Diethanolamine	0	0	0	0.00123	0	0	0	0	0	0	0	0	0	0.144	0	0	0	0	0	0	0	0	0	0	0	0	0.0198909996495764	0.0039164897181576	2.40710300926009		0	
C111444	Bis(2-chloroethyl) ether	0	0	0	0	0	0.00272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.271	0	0	0	0	0.257990293089883	0.104864244159464	0.979372569111951		0	
C111466	Diethylene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.542496156814515	0.0670330262670329	1.17371117354369		0	
C1114712	Pebulate	0.00391	4.55e-05	0.00167	0	0	0	0	0	0	0	0.192	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000113230773306771	0.000201273726894128	3.69621291169647		0	
C111499	Hexamethyleneimine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0312872170383179	0.00698595188515561	2.15577440983541		NA	
C111557	1,2-Ethanediol diacetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.311671136372575	0.141944601289094	0.847881120749557		0	
C111626	Ethyl oleate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.175913358376158	0.0309577654786106	1.50923039409158		0	
C111693	Hexanedinitrile	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.252946454560154	0.140845702127072	0.851256400868303		NA	
C111706	1-Heptanol	0	0	0	0	0	0.11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.64e-07	0.0191	0	0	0	0	0.230715422432971	0.0422835055982566	1.37382901382285		0	
C111717	Heptanal	0.0319	0	0	0	0	0.00238	0	0	0	0	0	0	0	0	0	0.000717	0	0.000161	0	0	0.00504	0	0	0	0	0	0.224621880907456	0.0677786839977275	1.16890686775113		0	
C111762	2-Butoxyethanol	0	0	0	0	0	1.83e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0111	0	0	0	0	0.132842272729971	0.0310338575939859	1.50816423705995		0	
C111773	Diethylene glycol monomethyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.308574301760575	0.0520091820737182	1.28391997613603		0	
C111812589	Fenpyroximate (Z,E)	0	0	0	0	0	0	0	0.214	0.0388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0801	0.0478318070408866	0.0300561903197377	1.52206606792637		NA	
C111820	Methyl dodecanoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.222095340675692	0.0378693797936309	1.42171180748571		0	
C111842	Nonane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0265	0	0	0	0	0.204243281804128	0.0741670602818926	1.12978893453349		0	
C1118463	Butyltin trichloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0795100764967583	0.184976700981201	0.732882970367394		0.222	KNN hi AUC low
C111875	1-Octanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C1118929	N,N-Dimethyloctanamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00733684101770586	0.00358775940078551	2.44517668893195		NA	
C111900	2-(2-Ethoxyethoxy)ethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.278815079908502	0.0487610264052661	1.31192716118631		0	
C1119400	Dimethyl glutarate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.242527683411369	0.100433203058167	0.998122686383404		0	
C111966	Bis(2-methoxyethyl) ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.236310847857542	0.0847042389320455	1.07209485532771		0	
C111988499	Thiacloprid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0591772252846429	0.0334718818228475	1.47531987048344		0	
C111991094	Nicosulfuron	0	0	0	0	0	0.0558	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0199	0	0	0	0	0	0.111410205130144	0.0478596202024773	1.32003075212088		NA	
C1120010	Sodium hexyldecyl sulfate	0	0	0.00022	0	0	0	0	0	0	0	0	0.121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0916868029450353	0.0226161891688949	1.64558057192818		0.0108	
C1120043	Octadecyl sulfate sodium salt	0.00252	0.0108	0	0.00794	0	0	0	0	0	0	0	0	0	0	0	0.00521	0	0.0168	0	0	0	0.00751	0	0	0.0248	0	0.097172943256002	0.022953087470435	1.6391588882885		0	
C112005	Dodecyltrimethylammonium chloride	0.000105	0	0	0	0	0	0	0.147	0.021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.55e-05	0.00279782100343615	0.000445774230352222	3.35088504114809		0.085	
C1120214	Undecane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.204243281804128	0.0741670602818926	1.12978893453349		0	
C112050	Nonanoic acid	0	0	0	0	0	4.18e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0225	0	0	0	0	0.147723180166214	0.0308628252408788	1.51056432032207		0.017	
C1120714	1,3-Propane sultone	0	0	0	0.000199	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0868	0	0	0	0	0	0	0	0	0.12498122473758	0.0636369180237242	1.19629086167318		NA	
C112072	2-Butoxyethyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.108609950544318	0.0350216038042635	1.4556639694064		0	
C112129	2-Undecanone	0.00139	0	0	2.23e-06	0	0	0	0	0	0	0	0	0.0282	0	0	0	0	0	0	0	0	0.00464	0	0	0	0	0.158271210793478	0.0308816938264706	1.51029888711496		0	
C112141	Octyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.185393885986342	0.0293579319265787	1.53227454087139		0	
C112185	N,N-Dimethyldodecan-1-amine	0	0	0	0.0165	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00372983422503922	0.000758768346365903	3.11989079492275		0.0166	
C112226616	Halofenozide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0657463387052017	0.0400505013146283	1.39739204345455		0	
C112254	2-(Hexyloxy)ethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.167976270777457	0.0397694804387723	1.40045008273914		0	
C112276	Triethylene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.530835858019315	0.0655955953442513	1.18312532193394		0	
C112281773	Tetraconazole	0	0.0127	0	0	0	0	0	0	0.0333	0	0	0	0	0	0	0	0	0	0	0	0.0252	0	0	0	0	0.0509	0.206418904138449	0.112006231496694	0.950757814567821		0	
C112301	1-Decanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C112312	Decanal	0	6.55e-05	0	0	0	0	0	0	0.000852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.073	0	0.239369647156396	0.0513174400427907	1.28973501642454		0	
C112345	2-(2-Butoxyethoxy)ethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.129177485568175	0.0297973122554188	1.52582290791312		0	
C112356	2-[2-(2-Methoxyethoxy)ethoxy]ethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.308574301760575	0.0520091820737182	1.28391997613603		0	
C112389	10-Undecenoic acid	0	0	0	0	0	0	0	0	0.00037	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0746	0	0.192297541820387	0.0810467421589029	1.09126443782778		0.0336	
C112410238	Tebufenozide	0	0	0	0	0	0	0	0	1.59e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0592	0	0.030339713673362	0.0137827205207633	1.86066505016852		0	
C112425	1-Undecanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C112492	Triethylene glycol dimethyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.236310847857542	0.0847042389320455	1.07209485532771		0	
C112505	2-[2-(2-Ethoxyethoxy)ethoxy]ethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.278815079908502	0.0487610264052661	1.31192716118631		0	
C112529154	Pioglitazone hydrochloride	0.00454	0	0	0.0107	0	7.72e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.142	0	0	0	0	0.0115881307324736	0.00297869313443467	2.5259742355853		NA	
C112538	1-Dodecanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C112550	1-Dodecanethiol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.172103777491673	0.0390278108056194	1.40862580899813		0	
C112607	Tetraethylene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.530835858019315	0.0655955953442513	1.18312532193394		0	
C112630	Methyl linoleate	0	0	0	0	0	0	0	0	0.00122	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0946	0	0.170108452041453	0.0392122773698215	1.40657793402152		0	
C112709	1-Tridecanol	0.00481	0	0	0	0	0	3.65e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.013	0	0	0.00714	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C112721	1-Tetradecanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C112733069	Zenarestat	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.112603676821959	0.0450021540665026	1.34676669785119		NA	
C112801	Oleic acid	0	4.05e-06	0.000541	0	0	0	0	0	0	0	0	0.0888	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.12082449058483	0.0305716435640161	1.51468121251384		0.0336	
C112809515	Letrozole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.590576029176812	0.452214814237101	0.344655214577915		NA	
C113136779	Cyclanilide	0	5.23e-05	0	0	0	0	0	0	0.00147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0987	0	0.0699343273861946	0.0444925694381784	1.35171251309663		NA	
C1134232	Cycloate	0	0	0	0	0	0.0455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00624	0.0805	0	0	0	0	0.00442501523062119	0.00209573106722428	2.6786644485557		0	
C113484	MGK-264	0	0	0	0	0	0.000122	0	0	0.000184	0	0	0	0	0	0	0	0	0	0	0	0.0398	0	0	0	0.0234	0	0.0154157343372062	0.00703383374837699	2.15280790087773		NA	
C113734182	CP-114271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00621417492946533	0.00118365956025176	2.92677318981262		NA	
C114078	Erythromycin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0280691820360617	0.0149752642170977	1.82462550636668		NA	
C114261	Propoxur	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.115091992355902	0.0394667737420626	1.4037683740678		0	
C114311329	Imazamox	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0603978973855417	0.0234177818929835	1.63045424322002		0	
C1143380	Anthralin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.20163761213265	0.0969785185137635	1.01332445464215		0	
C114369436	Fenbuconazole	0.000538	0	0	0	0	0	0	0.383	0.0528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.034571086487215	0.0406174365012091	1.39128748980642		0	
C115286	Chlorendic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.204258800442043	0.135857523712973	0.866916305596847		NA	
C115297	Endosulfan	0.0295	0	0	0	0	0.0739	0.000175	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00596	0.00375	0	0.0279	0	0.000378	0.134677810183852	0.106505858695004	0.972626501812766		0.00235	
C115322	Dicofol	0	0.0229	0	0.0272	0	0	0	0	0.0125	0	0	0	0	0	0.00136	0.0178	0.00219	0.00209	0	0	0	0	0	0	0	0	0.346426738069614	0.223406963533682	0.650903294169738		NA	
C115399	Bromophenol blue	0	0.0128	0	0	0	0	0	0	0.000244	0	0	0	0	0	1.74e-05	0	0	0	0	0	0	0	0	0	0	0.184	0.123358966277129	0.074073467304946	1.13033732598211		0	
C1156190	Tolazamide	1.67e-05	0	0	0	0	0	0.000763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0967	0	0	0.00445030043615818	0.00186662305476169	2.72894337448004		NA	
C115775	Pentaerythritol	0	1.77e-06	0.00251	0	0	0	0	0	0	0	0.267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.777275534917822	0.205241258555643	0.687735330880348		0	
C115866	Triphenyl phosphate	0.0641	0.0314	0	0.000945	0	7.82e-06	0	0	0	0	0	0	8.31e-05	0	0.00195	0.000691	0	0	0.00773	0	0	0.0115	0	0.00212	0	0	0.36098025271941	0.201471612128562	0.695786138428332		0	
C115957	Linalyl acetate	0	0.000101	0.142	0	0	0	0	0	0	0.00338	0.0223	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.132289697619743	0.0624825798306402	1.20424104726327		NA	
C115968	Tris(2-chloroethyl) phosphate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.231396776441483	0.108064415595324	0.966317290826954		0	
C116029	3,3,5-Trimethylcyclohexanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.32181375695947	0.193525785053794	0.713261162115233		0	
C116063	Aldicarb	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.186027706638343	0.0894484233468181	1.04842731007494		0	
C116255482	Bromuconazole	0	0	0	0	0	0.135	0	0	0.00033	0	0	0	0	0	0	0	0	0	0	0	0.0162	0.0315	0	0	0	0.0149	0.042104966737244	0.0224267098389935	1.6492344358945		0.0127	
C116256	1-(Hydroxymethyl)-5,5-dimethylhydantoin	0.00936	0	0	0.00131	0	0	0	0	0	0	0	0	0	0	0	0.0115	0	0.00446	0	0	0.00988	0	0	0.0442	0	0	0.0883520184096534	0.0372010684487864	1.42944458660336		0	
C1166525	Dodecyl gallate	5.27e-05	0.0773	7.28e-06	0	0	0.000465	0	0	0.0291	0	0	0.0411	0	0	0.00129	0	0	0	0	0	0.00491	0	0	0	0.0137	0	0.0354896026811567	0.0258322228860774	1.58783822078681		0.0768	
C116714466	Novaluron	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.111599337503394	0.0661888170289381	1.17921538084556		0	
C117088	Tetrachlorophthalic anhydride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.279614450292591	0.203387464267872	0.69167581821299		0	
C117337196	Fluthiacet-methyl	0	0	0	0	0	0.000159	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.103	0	0	0	0	0.0327644775453756	0.0206045401306288	1.68603707397895		NA	
C117395	Quercetin	0.101	0	0	0.00189	0	0.0196	0	0	0	0	0	0	0	0	0	0.00116	0	0.0161	0	0	0.0195	4.32e-07	0	0	0	0	0.181982660013688	0.0923436539711313	1.03459294472853		0	
C117428225	Picoxystrobin	0	0.00033	0	0	0	0	0	0	0.0909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0997	0.04901846693447	0.031523936798432	1.50135955187179		NA	
C117718602	Thiazopyr	0.00886	0	0	2.02e-05	0	0.0887	0	0	0	0	0	0	0	0	0.0018	0	0.000332	0	0	0	0.0388	0	0	0	0	0	0.0380856649039737	0.0148521356200523	1.82821109373275		0	
C117793	2-Aminoanthraquinone	0.0453	0	0	0	0	0.117	7.1e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00204	0	0	0.0852	0	0	0.305131033455895	0.203387490742834	0.691675761680848		0	
C117806	Dichlone	0	1.96e-20	0	0	0	0.000263	0	0	0.124	0	0	0	0	0	0	0	0	0	0	0	0	0.0263	0	0	0.00379	1.96e-07	0.345888000767596	0.272192514799085	0.565123821917955		NA	
C117817	Di(2-ethylhexyl) phthalate	0	0	0	0.00039	0	0	0	0	0	0	0	0	0	0	0.0582	0	0	0	0	0	0	0	0	0	0	0	0.0736955695235919	0.0402152366539955	1.39560937126774		0	
C117840	Dioctyl phthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0686748899358795	0.0360655459191824	1.44290748956863		0.0376	
C117997	2-Hydroxybenzophenone	0.0157	0	0	0.00041	0	0.0184	0	0	0	0	0	0	0	0	0.00478	0	0.00159	0	0	0	0.0154	5.89e-05	0	0	0	0	0.295506936871896	0.132327178069182	0.878350948909397		0	
C118134308	Spiroxamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0100155876066125	0.00420072511181908	2.37667573701143		NA	
C118478	1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0321086436037814	0.00822831758730164	2.08468895424629		NA	
C118525	1,3-Dichloro-5,5-dimethylhydantoin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.162894534444873	0.0414798614205621	1.3821627032084		0	
C118558	Phenyl salicylate	0	5.79e-06	0	0.0192	0	0	0	0	0	0	0	0	0	0	0.0376	0	0.00462	0	0	0	0	0	0	0	0	0	0.180805538428647	0.0962420094755605	1.01663531776467		0	
C118569	3,3,5-Trimethylcyclohexyl salicylate	0.0217	0	0	0.000514	0	0.0361	0	0	0	0	0	0	0	0	0.00189	0	0.00314	0	0	0	0.00997	0.000125	0	0	0	0	0.0922791352385926	0.0640456156456979	1.1935105952878		NA	
C118581	Benzyl salicylate	0.013	0	0	0.0278	0	0.0035	0	0	0	0	0	0	0	0	0.0186	0.00281	0.00109	0.00147	0	0	0.00307	0	0	0	0	0	0.18862042169479	0.104420078330976	0.981215985338118		0	
C118718	Maltol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.272791593787004	0.119926241009111	0.92108577871472		0	
C118796	2,4,6-Tribromophenol	0	0	0	0	0	0.0681	0	0	7.65e-05	0	0	0	0	0	0	0	0	0	0	0	0.0043	0.00044	0	0	0.0317	0	0.509018532586877	0.167093673056209	0.777039994204732		NA	
C118821	4,4'-Methylenebis(2,6-di-t-butylphenol)	0	0	0	0	0	0	0.000528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.072	0	0	0.155662369285849	0.0730277109700001	1.13651231196539		0	
C1189088	1,3-Butyleneglycol dimethacrylate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.199823829330389	0.0925691309484554	1.03353381346702		NA	
C118934	2-Hydroxyacetophenone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.257539782841187	0.117279674466858	0.930777248172282		0	
C119073	Octyl decyl phthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0686748899358795	0.0360655459191824	1.44290748956863		0.0376	
C1191500	Sodium myristyl sulfate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0916868029450353	0.0226161891688949	1.64558057192818		0.0108	
C119168773	Tebufenpyrad	0	0.000466	0	0	0	0	0	0	0.125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.32	0.0783948790013587	0.0471346455928358	1.32665975404674		NA	
C1192525	4,5-Dichloro-3H-1,2-dithiol-3-one	0	0	0	0.000811	0	0	0	0	0	0	0	0	0	0	0	0.128	0	0	0	0	0	0	0	0	0	0	0.64054144384129	0.598366127279721	0.22303299928777		NA	
C119368	Methyl salicylate	0	0	0	0	0	9.24e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0955	0	0	0	0	0	0.269022741144201	0.145087477564251	0.838370069708598		0	
C119446683	Difenoconazole	0	0.000367	0	0	0	0.000631	0	0	0.206	0	0	0	0	0	0	0	0	0	0	0	0	0.0161	0	0	0.00306	6.93e-08	0.0337746022748747	0.0253618696240353	1.59581873432844		0	
C1194656	Dichlobenil	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.79898785943209	0.458042911727582	0.339093833233033		0	
C119471	2,2'-Methylenebis(4-methyl-6-tert-butylphenol)	0.00113	0.000283	0	0	0	0.000628	0	0	0.0809	0	0	0	0	0	0	0	0	0	0	0	0	0.0207	0	0	0.0391	0	0.149378654765834	0.0729734131123927	1.13683534045128		0	
C119515387	Icaridin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.027087201998933	0.0313207939604163	1.50416723741048		NA	
C119539	Benzoin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.270038813602378	0.137766394571515	0.86085670718927		NA	
C119619	Benzophenone	0.04	0	0	0	0	0.00942	2.84e-06	0	0	0	0	0	0	0	0	6.02e-05	0.000121	0	0	0	0.0342	0	0	0.0129	0	0	0.49306309144161	0.435011401293205	0.361499360392863		0	
C119642	Tetralin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.252035644127198	0.119436863457083	0.922861610182288		NA	
C119904	3,3'-Dimethoxybenzidine	0	0	0	0	0	2.14e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0806	0	0	0	0	0.158279678618717	0.113518566391591	0.94493310215376		0	
C119937	3,3'-Dimethylbenzidine	0.139	0	0	0	0	0.0152	0	0.166	0	0	0	0	0	0	0	0	0	0	0	0	0.00683	0	0	0	0	0	0.630144651842393	0.314357113374531	0.502576707846469		0.0113	
C120068373	Fipronil	0	9.43e-05	0	0	0	0.0341	0	0	0.151	0	0	0	0	0	0	0	0	0	0	0	0.0189	0.000105	0	0	0	0.028	0.370492643705086	0.245098340350767	0.610659629502488		NA	
C120116883	Cyazofamid	0	0	0	0	0	0	0	0.146	0.00388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.284060569299244	0.176384953337291	0.753538465470077		NA	
C120127	Anthracene	0.0112	0	0	0	0	0.000114	0.000116	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0168	0	0	0.117	0	0	0.829482904822028	0.347809652195965	0.458658369897194		0	
C120149	Veratraldehyde	0.0572	0	0	0	0	0.00436	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0156	0	0	0	0	0.167982898861296	0.116904899419468	0.932167287415991		0	
C120183	Naphthalene-2-sulfonic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.535579033734327	0.300197572404722	0.522592824069751		0	
C120321	Clorophene	0.0353	0.018	0	1.35e-06	0	0	0	0	0	0	0	0	0	0	0.000516	0	0.000443	0	0	0	0.0447	0	0	0	0	0	0.298718321149834	0.143393794877626	0.84346964161601		0.0643	
C120365	Dichlorprop	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0888640007331995	0.048513871643871	1.31413406517039		0	
C120467	1,3-Diphenyl-1,3-propanedione	0.0491	0	0	0	0	0.0349	1.35e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00477	0	0.0775	0	0	0.237366717436225	0.175680371898087	0.755276757870278		0	
C120478	Ethylparaben	0.0864	2.69e-08	8.99e-06	0	0	0.00902	0	0	0	0	0.035	0	0	0	0.00112	0.000198	0	0	0	0	0.000401	0.000662	0	0.00117	0	0	0.0982446202856534	0.0626500584550421	1.2030785194553		0	
C120511731	Anastrozole	0.0201	0	0	0	0	0	5.58e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0521	0	0	0.141387306925462	0.11446384164368	0.941331682360412		NA	
C120514	Benzyl benzoate	0	2.89e-07	0	0.0392	0	0	0	0	0	0	0	0	0	0	0.00331	0	0.00205	0	0	0	0	0	0	0	0	0	0.247740599355684	0.199564570856306	0.699916557474199		0	
C120558	Diethylene glycol dibenzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.132806545946015	0.090865266881791	1.04160209350197		0	
C120569	Triethylene glycol dibenzoate	0.0732	0	0	0	0	0.179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000357	0.0184	0	0	0	0	0.132806545946015	0.090865266881791	1.04160209350197		0	
C120616	Dimethyl terephthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.298903107806986	0.228575117245746	0.64097104879219		0	
C120650	2-((Dimethylamino)methyl)phenol	7.52e-06	0	0	0	0	0	0	0.245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0697501944332619	0.0440046166771008	1.35650175778176		0	
C120718	2-Methoxy-5-methylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.14088905915201	0.0972590788687616	1.01206984790899		0	
C120729	Indole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.58951009533377	0.50586509793329	0.295965283623397		0	
C120809	Catechol	0.0155	0	0	0	0	0.025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0215	0	0	0	0	0.610694254276305	0.203387381148761	0.691675995697767		0	
C120821	1,2,4-Trichlorobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.783686537756974	0.397322828683207	0.400856481291682		0.00507	
C120832	2,4-Dichlorophenol	0.00424	2.15e-08	0	0.0026	0	0.0367	0	0	0	0	0	0	0	0	0.013	0	0.0145	0	0	0	0.00235	0.00148	0	0	0	0	0.58178131670906	0.198956521517855	0.701241820715638		0	
C120923	Cyclopentanone	0	1.66e-07	0	0	0.000375	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0773	0	0	0	0	0	0	0.304242739151023	0.217919095292396	0.66170471276995		0	
C120956	2,4-Bis(2-methylbutan-2-yl)phenol	0.00528	0.00113	0	1.84e-06	0	0	0	0	0	0	0	0	0	0	0	0	0.0431	0	0	0	0.0965	0	0	0	0	0	0.0752295386154088	0.039963431095516	1.39833723211071		0.0164	
C121006	2-tert-Butyl-4-methoxyphenol	0.0139	0	0	0.0101	0	4.16e-06	0	0	0	0	0	0	0	0	0.000412	0.000607	0	0.00123	0	0	0.0244	0	0	0	0	0	0.178553750638693	0.108165845662363	0.965909849968407		0	
C12108133	Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.587838925399369	0.717176802155718	0.144373766598282		NA	
C121142	2,4-Dinitrotoluene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.458151187371164	0.207414534594567	0.683160813650716		0	
C121324	3-Ethoxy-4-hydroxybenzaldehyde	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0768366536179808	0.0584456444403909	1.23324784833424		0	
C121335	4-Hydroxy-3-methoxybenzaldehyde	0	0	0.000438	0	0	0	0	0	0	0	0.0654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.172699099169361	0.110356474432721	0.957202182412428		0.00199	
C121391	Ethyl 3-phenylglycidate	0	2.39e-05	0	0	0.000775	0	0	0	0	0	0	0	0	0	0	0	0	0	0.127	0	0	0	0	0	0	0	0.126579299362985	0.0800475772186116	1.09665180823576		0.0102	
C1214397	N-Benzyladenine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.494493344394663	0.275957712452253	0.55915746378879		NA	
C121552612	Cyprodinil	0.0356	0	0	0	0	0.0122	1.14e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0068	0	0.106	0	0	0.525960165015363	0.287632219113218	0.541162468082744		0	
C121697	N,N-Dimethylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.224190266626347	0.0886590525418222	1.0522769141156		0	
C121755	Malathion	0	0	0	0	0	0.0751	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9e-04	0.0329	0	0	0	0	0.138202024337917	0.058987737346231	1.22923826219485		0	
C121799	Propyl gallate	0.0601	0	0	0.000595	0	0.00705	0	0	0	0	0	0	0	0	0	0	0.00206	0.000129	0	0	0.0451	0	0	0	0	0	0.050841910582914	0.0349375008591657	1.45670816408955		0.0773	
C121915	1,3-Benzenedicarboxylic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.326208317535208	0.193152375161841	0.714099947041092		0	
C1219381	Octylparaben	0.268	0	2e-04	0	0	5.64e-05	0	0.043	0	0	0	0.00629	0	0	0	0	0	0	0	0	0.000857	0	0	0.000837	0	0	0.0342436815026736	0.0262808348604372	1.58036084270731		0.0768	
C122008859	Cyhalofop-butyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0122470190048234	0.00734893908814469	2.13377535226551		NA	
C122145	Fenitrothion	5.35e-05	0	0	0	0	0.0913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00865	0.000896	0	0	0.00424	0	0.175624190964433	0.109690809649784	0.959829757890974		0.0311	
C122203	Triisopropanolamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00693789101342362	0.00207421512773881	2.68314620265059		0	
C122349	Simazine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.458811923593142	0.132326955091284	0.878351680717886		0	
C122394	Diphenylamine	0.00816	0	0	0.00024	0	0.0489	0	0	0	0	0	0	0	0	0.00402	0	0.000169	0	0	0	0.0498	0	0	0	0	0	0.529558371586089	0.332643726863891	0.478020662249752		0.0138	
C122407	Pentylcinnamaldehyde	0.00842	0	0	0	0	0.0181	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00684	0.00407	0	0.012	0	0	0.0877355532695995	0.0795851718625	1.09916784153593		0	
C122429	Propham	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.271085525199772	0.147208277664451	0.832067768511301		0	
C122453730	Chlorfenapyr	0	0.0311	0	2.37e-05	0	0	0	0	0.000416	0	0	0	0	0	0.000682	0	0.000125	0	0	0	0	0	0	0	0	0.0217	0.0712640748226422	0.0503790489050698	1.29775003571006		NA	
C122510	Ethyl orthoformate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.626895325216928	0.36680482224846	0.435564963454224		NA	
C122576	Methyl styryl ketone	0	0	0	0	0	0.0817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0248	0	0	0	0	0	0.370186342824485	0.447258162364202	0.349441724908414		0	
C122667	1,2-Diphenylhydrazine	0	0	0	0	0	0.0734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00888	0.00682	0	0	0	0	0.655274948048513	0.359551249150615	0.444239198084975		0	
C122781	Phenylacetaldehyde	0.0042	0	0	0	0	5.66e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.038	0	0.0237	0	0	0.467418418760788	0.463231082098868	0.334202307805792		0	
C122836355	Sulfentrazone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.494301069804343	0.213701500486249	0.670192428464802		NA	
C122883	4-Chlorophenoxyacetic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0597780437792158	0.032788167873311	1.48428285001991		0	
C122996	2-Phenoxyethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.132546109559716	0.124728666928726	0.90403371927091		0	
C123002	4-Morpholinepropanamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00693811757196869	0.00261657019623035	2.58226760970071		NA	
C123057	2-Ethylhexanal	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.253244116212746	0.0943879548224191	1.02508342400623		0	
C123079	4-Ethylphenol	0.00352	0	0	4.67e-05	0	3.75e-06	0	0	0	0	0	0	0	0	0.0176	0	0	0	0	0	0.0822	0	0	0	0	0	0.212924831112348	0.118732785907471	0.925429341933083		0.00992	
C123115	4-Methoxybenzaldehyde	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.162529353862298	0.114253234653782	0.942131495657216		0	
C123122554	Candoxatril	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00718935610646192	0.00182015418446293	2.7398918215615		NA	
C123171	2,6,8-Trimethyl-4-nonanol	0.00239	3.24e-05	0	5.75e-05	0	0	0	0	0	0	0	0	0	0.0344	0	0	0	0	0	0	0	0	0	0	0	0	0.465649057368844	0.189675577236627	0.721988585580486		0	
C123251	Diethyl butanedioate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.210194715861285	0.0635691963587668	1.19675327888194		0	
C123312890	Pymetrozine	0	0	0	0	0	0	9.17e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0756	0	0	0.112021558588915	0.0731032503530964	1.13606331279547		NA	
C123319	Hydroquinone	0	0	0	0	0	0.054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0121	0	0	0	0	0.562970659333982	0.214574128426314	0.668422642850159		0	
C123331	Maleic hydrazide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.560406321108364	0.457178889956025	0.339913831179799		NA	
C123343168	Pyrithiobac-sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.180181451240826	0.128860796912574	0.889879187178224		0	
C123353	Myrcene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.173445460314444	0.177302768126769	0.751284483954659		NA	
C123422	Diacetone alcohol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.139158221102618	0.0914008567324703	1.03904973345172		NA	
C123660	Ethyl hexanoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.2084323135558	0.0376231968586795	1.42454430503506		0	
C123773	Azodicarbonamide	0	0	0	0	0.00044	0	0	0	0	0	0	0	0	0	0	0	0	0	0.102	0	0	0	0	0	0	0	0.929245132503411	0.769774444563048	0.113636510972628		0	
C123922	3-Methylbutyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.275119647382241	0.0990027378073299	1.00435279531987		0	
C123966	2-Octanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.288567203306107	0.0602787425070567	1.21983581621047		0	
C123999	Nonanedioic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.25358748127818	0.0905984974197655	1.04287900505736		0.0142	
C124049	Hexanedioic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.275865822889705	0.116851472425098	0.932365810767979		0	
C124072	Octanoic acid	0.00457	0.0142	0	0.0119	0	0	0	0	0	0	0	0	0	0	0	0.00794	0.00133	0.00734	0	0.0206	0	0	0	0	0	0	0.147002856159493	0.030987678079191	1.5088109644246		0.017	
C124094	1,6-Hexanediamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.10242574673238	0.0375338307754583	1.42557710838893		0	
C124130	Octanal	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.223758374389257	0.050576474919653	1.29605144340389		0	
C124185	Decane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.204243281804128	0.0741670602818926	1.12978893453349		0	
C1241947	2-Ethylhexyl diphenyl phosphate	0.0117	0	0	0	0	0.166	0	0	0	0	0	0	0	0	4.26e-05	0	0	0	0	0	0.00712	0.00428	0	0	0	0	0.0246860687246651	0.0289958680092693	1.53766388584684		0	
C124196	Nonanal	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.230936665667443	0.0506898803924518	1.29507873353413		0	
C124221	1-Dodecanamine	0.149	0	0	0	0	0	0	0.0876	0	0	0	0	0	0	0	0	0	1.71e-05	0	0.0017	0	0	0	0	0	0	0.0511759937462263	0.0103874675708274	1.98349031905214		0	
C12427382	Maneb	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.164976659048058	0.0304664666545131	1.51617791011689		0	
C124378774	Enadoline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0120994792507895	0.00391336646669391	2.40744948074467		NA	
C124403	Dimethylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.966973307788381	0.29726754562299	0.526852502588615		NA	
C124495187	Quinoxyfen	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0403	0	0.169146099934834	0.17225454109388	0.763829320096575		NA	
C124685	2-Amino-2-methylpropan-1-ol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.136720506691365	0.0353808207543849	1.45123209666751		0	
C124765	Isoborneol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.134137784046139	0.0768792934020796	1.11419061692364		0	
C124947	Triamcinolone	0.0939	0	0	0	0	0.0424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0074	0.00614	0	0	0	0	0.038471723257044	0.0220661401324475	1.65627362813347		0	
C125116236	Metconazole	0.0105	0.0316	0	0.00939	0	0.071	0	0	0.0119	0	0	0	0	0	0	0	0	0	0	0	0.0105	0.0122	0	0	0	0.00757	0.0187553217400855	0.00924460350286398	2.0341117108121		0.0166	
C125122	Isobornyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.111212109986822	0.0399801408864198	1.39815567980052		0	
C125225287	Ipconazole	0	0.0166	0	0	0	0.000575	0	0	0.00326	0	0	0	0	0	0	0	0	0	0	0	0	0.112	0	0	0.00999	0	0.0222168223556213	0.0104074497488109	1.9826556773777		0.0316	
C125401925	Bispyribac-sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.225200801599236	0.146770245515188	0.83336197928593		0	
C125848	Aminoglutethimide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0177647083509357	0.00612115129262054	2.21316688618644		NA	
C126001	Diphenolic acid	0.174	0	0.058	0	0	0	0	0.0614	0	0	0.00478	0.0192	0	0	0	0	0	0	0	0	7.98e-07	0	0	0	0	0	0.0167585621973441	0.00988102924751378	2.00519781520645		NA	
C1260179	Carminic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0398191863526323	0.0212205909473397	1.6732425261088		NA	
C126067	3-Bromo-1-chloro-5,5-dimethylhydantoin	0	0	0.00194	0	0	0	0	0	0	0	0	0.398	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.162662379700424	0.0412628751734868	1.38444051391799		0	
C126114	2-(Hydroxymethyl)-2-nitro-1,3-propanediol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0539152653253551	0.0335529421908707	1.47426939140452		0	
C126147	Sucrose octaacetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.297173092604236	0.108723215783302	0.963677710651125		NA	
C126307	2,2-Dimethylpropane-1,3-diol	0	0	0	0	0	0	0.000657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.126	0	0	0.480362830493182	0.121182917987177	0.916558594251837		0	
C126727	Tris(2,3-dibromopropyl) phosphate	0	0	0	0	0	0	0.000739	0	0.000291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0359	0.0638	0	0.455480568369246	0.274957353123591	0.560734661585668		NA	
C126738	Tributyl phosphate	0	0	0	0	0	0	0.00143	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.148	0	0	0.107391682446812	0.0551531549319254	1.25842963951869		0	
C126833178	Fenhexamid	0.148	0	0	0.000419	0	0.0118	0	0.00241	0	0	0	0	0	0	0.000286	0	0.00058	0.000609	0	0	0.00955	0.000226	0	0	0	0	0.0153394369635724	0.0053191410231575	2.27415849534078		NA	
C126863	2,4,7,9-Tetramethyl-5-decyne-4,7-diol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.331630692677406	0.116958291371767	0.931968984890603		0	
C126921	Sodium ethasulfate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.122228572792044	0.0514897345237402	1.28827934734876		0.0108	
C126987	Methacrylonitrile	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.364257264805035	0.292477367956459	0.533907734203679		NA	
C127071	Hydroxyurea	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.899131640971106	0.704614813250409	0.152048230803816		NA	
C127195	N,N-Dimethylacetamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.118994051554236	0.0372893583586687	1.42841508951847		NA	
C127253	Methyl abietate	0.00607	0	0	4.19e-07	0	0.0149	0	0	0	0	0	0	0.0449	0	0	0	0	0	0	0	0.0141	0	0	0	0	0	0.0858413163553564	0.0403332020207322	1.39433729833125		0.0112	
C127308821	Zamifenacin	0.0271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.047	0	0	0	0	0	0.0101998585177688	0.00635106887816327	2.19715317725557		NA	
C127399	Sodium 1,4-diisobutyl sulfosuccinate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.10445461691856	0.0560084310687785	1.25174659279663		0	
C127413	alpha-Ionone	0	0	0	0	0	0.0634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0393	0	0	0	0	0	0.220912688662923	0.104370585679355	0.981421879466557		0	
C127479	Retinol acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0689135040888321	0.0372895861034085	1.42841243707322		0	
C127515	alpha-Isomethylionone	0.0185	0	0	0	0	0.109	0	0	0	0	0	0	0	0	0	0	0	0	4.81e-05	0	0.0652	0	0	0	0	0	0.193559181326152	0.0988603539990942	1.00497783875105		0	
C128041	Sodium dimethyldithiocarbamate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.275311586226747	0.0272746943505858	1.56424010756264		0.0644	
C128370	Butylated hydroxytoluene	0	0	0	0	0	0.00126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.139	0	0	0	0	0	0.239585007991129	0.101009650298235	0.995637132444469		0.0164	
C128392	2,6-Di-tert-butylphenol	0	0	0	0	0	0.000605	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0387	0	0	0	0	0	0.335762961410443	0.150428901574125	0.822668715683811		0.0164	
C128639021	Carfentrazone-ethyl	0	0	0	0	0	2.84e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0447	0	0	0	0	0.105000550378839	0.0773911502891582	1.11130869823601		NA	
C128950	1,4-Diaminoanthraquinone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.357014843267312	0.24538172932547	0.610157777177592		0	
C129000	Pyrene	0	0	0	0.0337	0	0	0	0	0	0	0	0	0	0	0.00673	0.00277	0	0.00293	0	0	0	0	0	0	0	0	0.843343990817934	0.349723242562675	0.456275503574996		0	
C129066	Sodium warfarin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0526991493889029	0.0366297008584085	1.43616662804779		0	
C129179	Sulfan blue	0	0.000404	0	0	0	0	0	0	0.00345	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.233	0.0108044660130788	0.00607953381798024	2.21612972139189		0	
C129453618	Fulvestrant	0	0.635	6.67e-05	1.96e-05	0.00935	0	0	0	0.00905	0	0.0232	0	3.49e-05	0	0	0.000272	0	0	0.0234	0	0	0	0	0	0.0173	0	0.0244332726711383	0.0158207732314948	1.8007722944183	EAS low AUC hi	0.0153	
C129630199	Pyraflufen-ethyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0542110950622245	0.0297053528345011	1.52716528478984		0	
C1300727	Sodium xylenesulfonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.456070326681702	0.253765778865658	0.595566944305388		0.0365	
C1300738	Dimethylaniline	0	0	0	0	0	1.26e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0356	0	0	0	0	0.686695297734723	0.342892527678661	0.464841978936628		0	
C130143	Sodium 1-naphthalenesulfonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.56997826115441	0.30048170181196	0.522181969731306		0	
C1303113	Indium arsenide	0	0	0	0	0	0	0.000453	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0652	0	0	0.0526560712692349	0.018977202339725	1.7217678118231		NA	
C13071799	Terbufos	0.0482	0	0	0.000243	0	0	2.25e-05	0	0	0	0	0	0	0	0.00386	0	0.000958	0	0	0	0.00808	0.000571	0	0.00749	0	0	0.108248171950657	0.057592548197917	1.23963370556783		0	
C131113	Dimethyl phthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.304360912390291	0.200321690881888	0.698272022647108		0	
C131179	Diallyl phthalate	0.014	0.00157	0	0.00852	0	0.00294	0	0	0	0	0	0	0.00227	0	0.0088	0.00206	0.00372	0	0.00606	0	0.0193	0	0	0	0	0	0.200134890976055	0.108318956006103	0.96529553443232		0	
C131180	Dipentyl phthalate	0.0125	0.0376	0	0.00657	0	0	0	0	0	0	0	0	0	0	0.0262	0.00377	0.00312	0	0.00285	0	0	0	0	0	0	0	0.0684725110018125	0.0379220764104264	1.42110789103593		0.0509	
C131341861	Fludioxonil	0.0521	0	0	0.000272	0	0	0	0	0	0	0	0	0	0	0	3.62e-05	0.00323	0.000233	0	0	0.0108	8e-09	0	0	0	0	0.144028570126892	0.139270529642419	0.856140772791607		NA	
C131555	2,2',4,4'-Tetrahydroxybenzophenone	0.397	8.24e-08	0.0222	0	0	0	0	0	0	0	0.0334	0.000301	0	0	0	0	0	0	0	0	0.000818	0	0	0	0	0	0.213690370283833	0.0861649252521239	1.06466948440037		0	
C131566	2,4-Dihydroxybenzophenone	0.266	3.25e-07	0.00365	0	0	0.0216	0	0	0	0.00303	0.0375	0	0	0	0.00186	0.000253	0	0	0	0	0.00103	0	0	0	0	0	0.192061105448144	0.0804123521771241	1.09467723395897		0	
C131577	2-Hydroxy-4-methoxybenzophenone	0.0645	0	0	0	0	0	0.000109	0	0	0	0	0	0	0	1.17e-05	0	0	0	0	0	0.0113	0	0	0.014	0	0	0.121415153452284	0.0630956095398006	1.20000085975707		0	
C131704	Monobutyl phthalate	0	0	7.98e-07	0	0	0	0	0	0	0	0.0675	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0632782343620071	0.0372895999407443	1.42841227591623		0.0509	
C13171001	1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone	0	7.15e-05	0	0.035	0	0	0	0	0	0	0	0	0	0	0	0	0.0021	0	0	0	0	0	0	0	0	0	0.0655687576490597	0.0520377065763278	1.28368185206421		NA	
C131807573	Famoxadone	0	0.000714	0	0	0	0	0	0	0.249	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.028	0.000112	0.0175055029613783	0.00516833603715745	2.28664925694433		NA	
C131860338	Azoxystrobin	0.000129	5.13e-07	0	0	0	0	0	0.167	0.0298	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00557	0.00635	0.126861470855655	0.0898582087603567	1.04644224291244		NA	
C13194484	Ethoprop	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.128409086649863	0.0763697785824579	1.11707846853785		0	
C131983727	Triticonazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00875741327542586	0.00330022450624343	2.48145651512024		0.0316	
C1320076	C.I. Acid Orange 24, monosodium salt	0	0	0	0	0	0.0255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0129	0	0	0	0	0	0.123913519335818	0.0808426021210216	1.09235971607938		0.0473	
C1321740	Divinylbenzene	0	0	0	0	0	2.95e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.038	0	0	0	0	0.840763055425515	0.395224368763027	0.403156285508912		0	
C1323199	Sodium 2,4,7-tri(propan-2-yl)naphthalene-1-sulfonate	0	0	0	0	0	0.0835	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00659	0	0	0	0	0	0.381262899947091	0.192332611140038	0.715947072301289		0.0365	
C1323382	Glyceryl monoricinoleate	0	4.01e-08	0	0	0	0.000504	0	0	0.000302	0	0	0	0	0	0	0	0	0	0	0	0	0.000592	0	0	0.123	0	0.141031501125751	0.0543664813442349	1.26466877408368		0	
C13254347	2,6-Dimethyl-2-heptanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.300816102318522	0.0952611203252333	1.02108431524301		0	
C132649	Dibenzofuran	0.00597	0	0	0	0	1.82e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0424	0	0	0.0605	0	0	0.362495558506131	0.291450401766601	0.535435341665869		0	
C132650	Dibenzothiophene	0.00373	0	0	4.63e-07	0	0.011	0	0	0	0	0	0	0	0	0.0204	0	0	0	0	0	0.0163	0.000317	0	0	0	0	0.582743162029687	0.402476633308698	0.395259328512685		NA	
C13292461	Rifampicin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00850228109369042	0.00214489309652077	2.66859434858327		NA	
C13301616	C.I. Disperse Orange 37	0.000131	0	0	0	0	0.00124	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.247	0	0	0	0	0	0.0100893788802444	0.0026542595704346	2.57605660803712		NA	
C133062	Captan	0	0	0	0	0	0	0	0	0.103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0467	0.0617528274506702	0.0281069575654181	1.55118616200766		0	
C133073	Folpet	0	2.33e-07	0	0	0	3.68e-07	0	0	0.108	0	0	0	0	0	0	0	0	0	0	0	0.0143	0	0	0	0	0.031	0.154888127439062	0.118781173258664	0.92525238930275		0.0032	
C1330785	Tricresyl phosphate	0	0	0	0	0	0.000618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.15	0	0	0	0	0.213591206020181	0.141761036257199	0.848443120801703		0.0314	
C1330865	Diisooctyl adipate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.302692161009952	0.0574358718963281	1.24081678180669		0	
C13311847	Flutamide	0	0	0	0	0	0	0	0	0.0013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0925	0.123903513404749	0.0626246700341574	1.20325454939172		0	
C1333397	Phenolsulfonic acid	0	0	0	0	0.00178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.135	0	0	0	0	0	0	0.302682649645644	0.0914007814987751	1.0390500909275		NA	
C1335462	Ionone, methyl-	0	0	0	0	0	0.0998	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0131	0	0	0	0	0	0.136534154479486	0.0645590732948289	1.19004271226725		0	
C1338438	Sorbitan, mono-(9Z)-9-octadecenoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.134784542937991	0.0535630591179849	1.27113462732618		0	
C133855988	Epoxiconazole	0	0.0372	0	0.0166	0	0	0	0	6.05e-06	0	0	0	0.000817	0	0.00585	0.00111	0	1.5e-05	0	0	0	0	0	0	0	0.00828	-1	-1	0		NA	
C133904	Chloramben	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.260573086173648	0.204389931871821	0.689540501101921		NA	
C134002601	CP-085958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0213842422985227	0.00884735073336337	2.05318675575724		NA	
C134032	Sodium L-ascorbate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.207249522614101	0.125345391830979	0.901891627714258		0	
C134203	Methyl 2-aminobenzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.275969496904291	0.219775480790395	0.658020761191019		0	
C134316	8-Hydroxyquinoline sulfate	0.00897	0.00019	0	0	0	0	4.45e-06	0	0	0	0.0482	0	0	0	0	0	0	0	0	0	0	0	0.00479	0	0	0	0.170874884930647	0.154309245114376	0.811608053315482		0	
C134523038	Atorvastatin calcium	0	0	0	0	0	0.00105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0666	0	0	0	0	0	0.0272892487966602	0.0125841487022643	1.90017615845603		NA	
C134605644	Butafenacil	0	0	0	0	0	0	0	0	0.000565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.125	0.0640078163313936	0.0400740768474421	1.39713647333264		NA	
C134623	DEET	0	0	0	0	0	0	3.95e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0516	0	0	0.0170868183033071	0.00853288908975659	2.06890389927768		NA	
C13463417	Zinc pyrithione	0	0.237	0	0.000338	0	0	0	0	0.00536	0	0	0	0	0.000215	0	6.34e-05	0	0.000389	0	0	0	0	0	0	0.0173	0.000342	0.897933925653235	0.520772076788435	0.283352310196027	EAS low AUC hi	0.00872	
C135080034	CP-100829	0	0.0184	1.74e-06	0	0	0	0	0	0	0.0186	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0381	0	0.127628795019468	0.0845510845618149	1.0728808172065		NA	
C135158542	Acibenzolar-S-methyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.391990272559399	0.277963298419217	0.556012543456949		NA	
C135193	2-Naphthalenol	0.0874	0	1.17e-05	0	0	0.022	0	0	0	0	0.0686	0	0	0	0	0	0	0	0	0	0.00175	0	0	0	0	0	0.420483464081885	0.17687896048459	0.752323822765012		0.0482	
C135206	Cupferron	0.0224	0	0	0	0	0.0139	1.09e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00871	0	0.0176	0	0	0.505927248465551	0.277050618220049	0.557440876403711		0	
C135410207	Acetamiprid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0457954299165817	0.0272406292543417	1.56478286450771		0	
C136458	Dipropyl pyridine-2,5-dicarboxylate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0405925642894547	0.0214713071108624	1.66814151617133		NA	
C136607	Butyl benzoate	0	0	0	0	0	0	0.000367	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0795	0	0	0.0848158357136119	0.0548201948758544	1.26105942495563		0.0509	
C13674845	Tris(2-chloroisopropyl)phosphate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.296482886999893	0.203002448142983	0.69249872460611		0	
C13674878	Tris(1,3-dichloro-2-propyl)phosphate	0	0	0	0	0	0	0	0	0.000433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0613	0	0.445628771476311	0.286889727339612	0.542285002257989		0	
C136776	4-Hexylresorcinol	0.0687	0.00583	5.05e-06	0.00244	0	0.0217	0	0	0	0	0.0119	0	0	0	3.18e-05	0	0.000207	8.85e-05	0	0	0	0.0223	0	0	0	0	0.0311797208612205	0.0253779532914195	1.59554340627934		0	
C13680358	4,4'-Methylenebis(2,6-diethylaniline)	1.11e-05	0.0644	0.00252	0	0	0	0	0	0.0237	0	0.2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.294587398428713	0.129477967711711	0.887804125909226		0.0113	
C13684565	Desmedipham	9.96e-05	0	0	0	0	0	0.000913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.167	0	0	0.0562773034439142	0.0245235471846286	1.61041671150715		0	
C13684634	Phenmedipham	0	0	0	0	0	0	0.000439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.154	0	0	0.113321164481832	0.0732166922029701	1.13538989564634		0	
C137268	Thiram	0.00506	0	0	0	0	0	0	0.143	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.133708352482198	0.0104777100022321	1.9797336259466		0.0644	
C137304	Ziram	0	0.0644	0	0	0	0	0	0	0.0298	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000965	0	0	0.00144	0.17667536678035	0.0147431490682563	1.83140974328175		0	
C137428	Metam-sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.911359024362787	0.255950181396175	0.591844558321862		0	
C13755298	Sodium tetrafluoroborate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.172480913990374	0.0211469516772851	1.67475222711386		NA	
C137666	Ascorbyl palmitate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0764347895313444	0.0408555568656109	1.38874886564458		0	
C138227	Butyl lactate	0	1.09e-05	0	0	0.00252	0	0	0	0	0	0	0	0	0	0	0	0	0	0.169	0	0	0	0	0	0	0	0.172582596696349	0.0502098746173866	1.29921086313163		0	
C138261413	Imidacloprid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.113430940762116	0.0547296626122645	1.26177722911098		NA	
C13826352	3-Phenoxybenzenemethanol	0.0657	0	0	0	0	0.0313	0.000147	0	0	0	0	0	0	0	0.000272	0	0	0	0	0	0.0271	0	0	0.00521	0	0	0.222939406823318	0.186726380200179	0.728794321761475		0	
C138863	Limonene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.3484195882645	0.140481455668589	0.852381001256023		0.0482	
C139026	Sodium phenolate	0	3.45e-06	0	0	0.000505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0626	0	0	0	0	0	0	0.56119233268254	0.318150624901178	0.49736721939973		0	
C139139	Nitrilotriacetic acid	0.0176	0	0	0	0	0.00145	0	0	0	0	0	0	0	0.0463	0	0	0	0	0	0	0.103	0	0	0	0	0	0.0103036514208905	0.00369447157760895	2.43244767021635		0	
C139149556	SB202235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0240511524478046	0.0099747622562512	2.00109744672178		NA	
C139290656	Volinanserin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00859584220099506	0.0035528066671189	2.44942842484614		NA	
C139340560	Darbufelone mesylate	0	0	0	0	0	0	0	0	0.0595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00549	9.34e-08	0.033444371100317	0.00810073227611542	2.09147572073843		NA	
C139402	Propazine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.853009415691681	0.460419970098987	0.336845847692761		0	
C139877	Ethyl diethanolamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00354615399758177	0.000601823847943646	3.22053060684997		0	
C139888	7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.100955090589794	0.0498159758802549	1.30263135756196		0	
C139968	Dodecyl sulfate triethanolamine	7.18e-05	0.000116	0	0	0.00105	0	0	0	0	0	0	0	0	0	0	0	0	0	0.179	0	0	0	0	0	0	0	0.00154271722454194	0.000653679702385992	3.18463500023925		0.0742	
C140089	Tris(2-chloroethyl) phosphite	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.232141075974995	0.113937665866854	0.943332681768305		0	
C140103	Cinnamic acid	0.101	0	0	0	0	0.00112	0	0.0457	0	0	0	0	0	0	0	0	0	0	0	0	0.00101	0.000167	0	0	0	0	0.318144136695495	0.293696214069669	0.532101651772226		NA	
C140114	Benzyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.163515352440969	0.165734464850946	0.780587169684622		0	
C1401554	Tannic acid	0	0	0	2.13e-06	0	0	0	0	0	0	0	0	0	0	0.0327	0	0	0	0	0	0	0	0	0	0	0	0.0716205992642929	0.0468647620561886	1.32915358365098		0	
C140318	1-(2-Aminoethyl)piperazine	0.0078	0	0	0	0	0	0	0.156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00862111344060385	0.00134964777442414	2.86977955712199		0	
C140385	4-Chlorophenylurea	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.422297792574783	0.363836323632874	0.439093945278482		0	
C140567	Fenaminosulf	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.185513094674586	0.0989553476519992	1.00456073108872		NA	
C140647	Pentamidine isethionate	0	0	0	0	0	0.0122	0	0	0.109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0504	0	0.00779402310892962	0.00203356163209561	2.69174266069563		NA	
C140669	4-(1,1,3,3-Tetramethylbutyl)phenol	0.393	0	0.00219	0	0.00342	0.000216	2.36e-06	0.0156	0	0.000382	0	0.000839	0	0	0.000543	0	0.00221	0	0.0155	0	0.005	6.46e-05	0	0.0134	0	0	0.0653640266681382	0.0406887501493201	1.3905256503185		0.00196	
C140670	Estragole	0	0	0	0	0	0	0.000385	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0732	0	0	0.127194821132018	0.115467661349277	0.93753963017942		0	
C140954	Dimethylolurea	0	0	0	0	0	0.000492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0698	0	0	0	0	0.530089968091988	0.428589881190829	0.367958086665311		NA	
C141048	Diisobutyl adipate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.12	0	0	0	0	0.34628434516227	0.0789422057625588	1.10269074293766		0	
C141112290	Isoxaflutole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0861567326165551	0.0755528184191308	1.12174933011985		NA	
C141220	9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-	0	0.0246	0	0	0	0	0	0	1.37e-06	0	0	0.00359	0	0	0	0	0	0	0	0	0	0	0	0	0.0428	0	0.0962791521778712	0.0348209605548279	1.45815925280779		0.0336	
C141322	Butyl acrylate	0	0	0	0	0	1.81e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.23e-06	0	0	0	0	0.130429646530061	0.0498159644740979	1.30263145700058		NA	
C141435	Ethanolamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.312155725390842	0.0626244926076366	1.20325577982484		NA	
C141517217	Trifloxystrobin	0	0	0	0	0	0	0	0	0.105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.083	0	0.0544931766159962	0.0225577504194095	1.64670421271841		0.066	
C141662	Dicrotophos	7.97e-05	0	0	0	0	0.00119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.148	0	0	0	0	0.0486936942347803	0.0161231717340659	1.79254952015456		0	
C141797	4-Methylpent-3-en-2-one	0.14	0.000626	0	0.00229	0.00098	0	0	0.00636	0	0	0	0	0	0	0	0.00452	0	0.0387	0	0.0138	0	0	0	0	0	0	0.409816743432204	0.623129380427763	0.205421771363054		NA	
C142041	Aniline hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.688957784748017	0.318815344151293	0.496460784766918		0.0158	
C142165	Bis(2-ethylhexyl) maleate	0	0	0	0	0	0.000434	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.114	0	0	0	0	0.151428008018424	0.0444627794303057	1.35200339243515		0	
C142187	1-Monolaurin	0	0	0	0	0	0	0	0	0.000531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0546	0	0.219528465880195	0.0567496804398038	1.24603657966119		0	
C142314	Sodium octyl sulfate	0	0	0	0	0	0.136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0117	0	0	0	0	0.0916868029450353	0.0226161891688949	1.64558057192818		0.0108	
C14233375	1,4-Bis(N-isopropylamino)anthraquinone	0	0	0	9.97e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0877	0	0	0	0	0	0	0	0	0.170401500855834	0.115839156362139	0.936144614031959		0	
C142459583	Flufenacet	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0123991753402306	0.0046487215219703	2.33266646910924		NA	
C142621	Hexanoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.148329250981304	0.0439033594925672	1.35750224619841		0.017	
C142870	Sodium decyl sulfate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0916868029450353	0.0226161891688949	1.64558057192818		0.0108	
C143077	Dodecanoic acid	0	0.017	0.000518	0	0	0	0	0	0	0	0	0.154	0	0	0	0	0	0	0	0	0	0	0	0	0.0412	0	0.153498093423932	0.0312931749070377	1.50455037246716		0	
C143088	1-Nonanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C143226	2-[2-(2-Butoxyethoxy)ethoxy]ethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.129177485568175	0.0297973122554188	1.52582290791312		0	
C143390890	Kresoxim-methyl	0.0154	0.066	0	0	0	0.0248	0	0	0	0	0	0	0	0	0	0.000424	0	0	0.000183	0	0.0406	0	0	0	0.00523	0	0.0586241573231788	0.0324808182478373	1.48837303866595		0	
C1434544	Pregnenolone carbonitrile	0	0	0.00169	0	0	0	0	0	0	0	0	0.214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.054649463288374	0.0236598240819062	1.62598848880959		0	
C143500	Kepone	0.174	0.0149	0.00846	0	0	0	0	0	0	0	0.00762	0.0254	0	0	0	0	0	0	0	0	0.00621	0	0	0.0028	0	0	0.241762585767179	0.180451279497498	0.743640034209999		NA	
C14351667	Sodium abietate	0.00244	0.0112	0	0	0	1.85e-05	0	0	0	0	0	0	0	0.0108	0	0	0	0	0	0	0.0828	0	0	0	0.0316	0	0.0709210767887781	0.0346121323441486	1.4607716443704		0	
C14371109	(2E)-3-Phenylprop-2-enal	0.0167	0	0	0	0	0.00963	4.03e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0311	0	0	0.0173	0	0	0.578492228701364	0.583026402171396	0.23431177790356		0	
C143748	Phenol red	0.0409	0	0.0301	0	0	0.0134	0	0	0	0	0.0232	0.0318	0	0	0	0	0	0	0	0	3.11e-05	0	0	0.00017	0	0	0.131910223403625	0.0700541750169641	1.15456597696924		0.0128	
C144490	Fluoroacetic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.35475695621687	0.259820100959319	0.58532725280873		0	
C144550367	Iodosulfuron-methyl-sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.14817624314204	0.0988131521416473	1.00518524648124		0	
C1445756	Diisopropyl methylphosphonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.617230233398037	0.59826075594753	0.2231094845964		NA	
C144627	Oxalic acid	0.00766	0.0225	0	0.0062	0	0	0	0	0	0	0	0	0	7.78e-07	0	0.00842	0	0.0204	0	0	0	0	0	0	0	0	0.494352645917177	0.53739294800587	0.269708036939381		0	
C145701219	Diclosulam	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.26420244995268	0.0991451881445617	1.00372835874537		0	
C145733	Endothal	0	0	0	0	0	6.07e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0807	0	0	0	0	0.223965826025243	0.152409202421817	0.816988809634495		NA	
C145742285	CP-122721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0393	0.0128786369855629	0.00474554181916121	2.32371419511482		NA	
C1459934	Dimethyl isophthalate	0	0	0	0	0	1.62e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0343	0	0	0	0	0.286029821684822	0.215608830457745	0.666333456191529		0	
C1461229	Tributyltin chloride	0	0.114	0	0	0	0	0	0	0.128	0	0	0	0	0	0	0	0	0	0	0	0	0	1.24e-05	0	0.000479	0.00686	0.141416434701656	0.190886826582817	0.719224041956247	EAS low AUC hi	0.222	
C1461252	Tetrabutyltin	0	0.0101	0	0	0	1.67e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0468	0	0	0	0.0871	0.073589288891998	0.0949023055552799	1.02272323670049		0.222	KNN hi AUC med
C147240	Diphenhydramine hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.02724958722075	0.0359577230007174	1.44420781748201		0.447	KNN hi AUC low
C14765301	2-sec-Butylcyclohexanone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.135507998294261	0.0499000014787678	1.30189944150646		0	
C1477550	1,3-Benzenedimethanamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.530443043882604	0.27814574253721	0.555727583239772		NA	
C147819	Arabinose	0	1.59e-05	0.00168	0	0	0	0	0	0	0.604	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.298151984290913	0.192267911214528	0.716093191816267		NA	
C1478611	Bisphenol AF	0.552	2.6e-05	0.0192	0.000296	0	3.14e-05	3.79e-08	0.00233	0	2.61e-07	0.011	0.00983	3.43e-05	0	0.00513	0.00262	0	0	0	0	0.00403	0.000119	0	0.00264	0.000808	0	0.198166967470524	0.0961955705976447	1.01684492494024		0.00196	
C14816183	Phoxim	0.156	0	0	0	0	0.022	0	0.00206	0	0	0	0	0	0	0	0	0	0	0	0	0.0188	0	0	0.00085	0	0	0.0519896515252386	0.0570605683732173	1.24366390670413		NA	
C148243	8-Hydroxyquinoline	0	0	0	0	0	4.88e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.039	0	0	0	0	0.228241736999222	0.189148171608975	0.72319785243611		0	
C148477718	Spirodiclofen	0	0	0	0	0	0	5.49e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0502	0	0	0.0325916836618123	0.0212483362749536	1.67267506913808		0	
C148798	Thiabendazole	0	0	0	0	0	0	0.00148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.233	0	0	0.553194213525033	0.461068559207248	0.336234491808674		0	
C1490046	Menthol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.236937805382804	0.139330831373185	0.855952771489429		0	
C14901076	4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one	0	0	0	0	0	0.000479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0692	0	0	0	0	0	0.108204224310791	0.0608996912027324	1.2153849094901		0	
C149062759	PharmaGSID_47259	0	0	0	0	0	0	0.00127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	0	0	0.0301728335242181	0.0262974227403077	1.58008681213794		NA	
C149304	2-Mercaptobenzothiazole	0	0	0	0	0	0.0128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0623	0	0	0	0	0.461276314708392	0.459447395439335	0.337764206102118		0	
C149575	2-Ethylhexanoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.165139714324278	0.0607358526705978	1.21655486707315		0.032	
C149877418	Bifenazate	0	0	0	0	0	0	0	0	0.0512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00644	0.000402	0.0743709138211915	0.0399566914647934	1.39841047985723		NA	
C149979419	Tepraloxydim	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0218045399366657	0.0133198487795735	1.87550070568896		0	
C150130	4-Aminobenzoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.226319170035057	0.139875159442666	0.854259405414223		0	
C15046750	Sodium 2-methylbenzenesulfonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.564010524311087	0.33244581305053	0.47827913234863		0.0365	
C150685	Monuron	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.243373956575198	0.177870073606752	0.749897115214231		0	
C150765	4-Methoxyphenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.275361268639624	0.177232473343377	0.751456701739312		0	
C150787	Hydroquinone dimethyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.267230550182986	0.202541443215444	0.693486099766559		0	
C151053	Dimethylbenzylcarbinyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.100326354145234	0.0739001322337011	1.13135478449671		0	
C151213	Sodium dodecyl sulfate	0	0	0	0	0	0.000385	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0401	0	0	0	0	0	0.0916868029450353	0.0226161891688949	1.64558057192818		0.0108	
C15214898	2-Acrylamido-2-methyl-1-propanesulfonic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0228286237215031	0.0149238016107862	1.82612053287655		NA	
C15299997	Napropamide	0	2.68e-07	0	0	0	0.128	0	0	3.39e-05	0	0	0	0	0	0	0	0	0	0	0	0.00244	0.000345	0	0	0	0.0249	0.0110267762870287	0.00412209790250195	2.38488169765835		NA	
C15307796	Diclofenac sodium	0	2.58e-07	0	0	0	0	0	0	0.00142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.115	0	0.124349295466368	0.0837107704855119	1.07721866074632		NA	
C15310017	Benodanil	0	0	0	0	0	6.25e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0927	0	0	0	0	0.317358398167957	0.19675507221916	0.706074062992288		NA	
C153233911	Etoxazole	0	0	0	0	0	0	0	0	0.00145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0617	0	0.0426800373244145	0.0303542597390898	1.51778035396707		NA	
C153719234	Thiamethoxam	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0934918133836859	0.0372010413180641	1.42944490333424		0	
C1541817	4-Dodecylmorpholine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00173932053445563	0.000541106601103122	3.26671716796139		0	
C154427	6-Thioguanine	0	0	0	0	0	0	0	0	0.00213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.158	0	0.68098226423588	0.39543412112415	0.402925859107871		NA	
C15499271	4-Butylchlorobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0547980195587675	0.0409032059877168	1.3882426507162		0	
C155569918	Emamectin benzoate	0	5.68e-21	0	0	0	0	0	0	0.157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0401	0	0.0176947562188178	0.00657890735012691	2.1818462296709		0	
C1559348	3,6,9,12-Tetraoxahexadecan-1-ol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.129177485568175	0.0297973122554188	1.52582290791312		0	
C1559359	2-(2-Ethylhexyloxy)ethanol	0.000532	0	0	0	0	0.132	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00102	0	0	0	0	0.183227387665943	0.0578759237240518	1.23750206439633		0	
C155990208	SR271425	0.0558	0	0	0	0	0.000305	0.00219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00336	0	0.013	0	0	0.011905719133261	0.00358482686562828	2.44553181436661		NA	
C156052685	Zoxamide	0	0.038	0	0	0.0496	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00317	0.00378	0	0	0	0	0	0	0.0157073515278977	0.00840650536741355	2.07538450539865		NA	
C156105	4-Nitrosodiphenylamine	0.028	0.0138	0	0	0	5.74e-07	0	0	0	0	0	0	0	0	0	0	0	0	0.0215	0	0.0145	0	0	0	0	0	0.415606454039473	0.263857039290712	0.578631315038752		0	
C1563388	2,3-Dihydro-2,2-dimethyl-7-benzofuranol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0892438012970182	0.0687468114634375	1.16274743998421		0	
C1563662	Carbofuran	0	0	0	0	0	0	0.000443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0721	0	0	0.0449228059893746	0.0164106992588766	1.78487291329173		0	
C156434	4-Ethoxyaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0864490407086187	0.0584773185723588	1.23301254979724		0.00293	
C156605	(E)-1,2-Dichloroethylene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.638820790429088	0.826424830922588	0.0827966423951993		NA	
C1569013	1-Propoxy-2-propanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.238090015689718	0.0629944423998925	1.20069776390397		0	
C1569024	1-Ethoxy-2-propanol	0.000721	0	0.000197	0	0	0	0	0	0	0	0	0.0789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.419716071751895	0.0959082475711395	1.01814404433486		0	
C1570645	4-Chloro-2-methylphenol	0.0109	4.17e-07	0	0.0108	0	0.0363	0	0	0	0	0	0	0	0	0.0238	2.88e-05	0.000712	0.00251	0	0	0.00234	0.00203	0	0	0	0	0.484920454975676	0.209209350709903	0.67941890837571		0.0643	
C15708415	Ethylenediaminetetraacetic acid ferric sodium salt	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00515318887811819	0.00213753276621346	2.670087219254		0	
C158081993	CP-105696	0	0.0249	0.000835	0	0	0	0	0	0	0	0	0.153	0	0	0	0	0	0	0	0	0	0	0	0	0.0607	0	0.0271159915634046	0.0122557097549443	1.91166153274074		NA	
C1582098	Trifluralin	0.0337	0	0	0	0	0	0	0.115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00329482221026844	0.00209214262927951	2.67940871129733		0.0823	
C159138815	Cariporide mesylate	0.0124	3.21e-07	0	5.86e-05	0	0.0605	0	0	0	0	0	0	0	0	0.0745	0	0	0	0	0	0.00561	5.89e-06	0	0.00265	0	0	0.145984476337809	0.083334696547515	1.07917414166897		NA	
C1596845	Daminozide	0.0318	0.000412	0	0.0032	0	0	6.49e-06	0	0	0	0	0	0	0	0	0.00417	0.000284	0.00711	0	0	0	0	0	0.0295	0	0	0.0253793936189828	0.0176181862365337	1.75403880352954		NA	
C15972608	Alachlor	0	0	0	0	0	0	0	0	0.00129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0874	0	0.00852538971997372	0.00332746953225988	2.47788591242188		0.00908	
C16079882	Bromo-3-chloro-5,5-dimethylhydantoin	0	0	0	0	0	0	0	0.163	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.162662379700424	0.0412628751734868	1.38444051391799		0	
C1610180	Prometon	0	0	0	0	0	0.136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0039	9.06e-05	0	0	0	0	0.835298535421041	0.523664598880121	0.280946784568409		0	
C161050584	Methoxyfenozide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0384415818438868	0.0184984484218883	1.73286469700623		NA	
C161326347	Fenamidone	0.0164	2.11e-05	0	0	0	0.00464	0	0.000523	0.0677	0	0	0	0	0	0	0	0	0	0	0	0.00489	0	0	0	0.00926	0.0172	0.110362674629513	0.059721388487259	1.22387010373762		NA	
C16219753	5-Ethylidene-2-norbornene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.596343979057862	0.220904670436221	0.655795102040576		0	
C1625918	4,4'-Di-tert-butylbiphenyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.477939757800408	0.202541445064597	0.693486095801558		0	
C162706141	UK-156819	0	0	0	0	0	0	1.64e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.062	0	0	0.0162243225519925	0.00490182974557543	2.30964177709887		NA	
C1632731	Fenchol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.191179041885501	0.124002671929504	0.906568956839882		0	
C1634782	Malaoxon	0	0	0	0	0	3.87e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0445	0	0	0	0	0.15053678587845	0.0603765074622687	1.21913201277257		0	
C163520330	Isoxadifen-ethyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0309081464263583	0.0156147430702325	1.80646515738948		NA	
C1638228	4-Butylphenol	0.111	0	0	0	0	0.028	0	0	0	0	0	0	0	0	0.00295	0	0.00301	0	0	0	0.00163	0.00419	0	0.000428	0	0	0.0506085991267556	0.0279492759346783	1.55362943864149		0	
C16423680	FD&C Red 3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0137	0	0	0	0	0.1341834487931	0.0785822236506694	1.10467568606695		0	
C1646759	Aldicarb oxime	0	0	0	0	0	0	5.67e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0717	0	0	0.694643322072758	0.279975215022624	0.552880413141133		NA	
C1646873	Aldicarb sulfoxide	0	0	0	0	0	4e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0398	0	0	0	0	0.0994671475965644	0.0504348709365726	1.297269086199		0	
C1646884	Aldoxycarb	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.1042897194872	0.0527083234147593	1.27812079792465		0	
C165252700	Dinotefuran	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0351638517710176	0.0483496251757659	1.31560688837989		NA	
C16587716	4-(tert-Pentyl)-cyclohexanone	0.0437	3.01e-05	0.00288	0	0	0	0	0	0	0.00957	0.029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.129277284195972	0.0435048721965163	1.36146210282533		0	
C166412788	Diisononyl cyclohexane-1,2-dicarboxylate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.129056018276614	0.0370465542814623	1.43125217975316		0	
C16672870	Ethephon	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.28986013879126	0.289025838040423	0.539063330887785		NA	
C1671756	Heptanophenone	0.00686	0	0	0	0	0.0102	8.95e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0105	0	0	0.0335	0	0	0.0501180239039603	0.030429073685305	1.51671126813095		0	
C16752775	Methomyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.28348273652961	0.141028916753782	0.850691829904763		0	
C1675543	Bisphenol A diglycidyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0735689883197143	0.0803135296712864	1.09521128701736		NA	
C16893859	Sodium hexafluorosilicate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17446538895637	0.0252457657038906	1.59781145262025		NA	
C1689845	Bromoxynil	0	2.71e-05	0	0	0	0.000261	0	0	3.87e-05	0	0	0	0	0	0	0	0	0	0	0	0	0.0644	0	0	0	0.0476	0.288342652230395	0.119322409676058	0.92327798478996		0	
C169590425	Celecoxib	0	0.0159	0	0.0669	0	0	0	0	0	0	0	0	0	0	0	0.0022	0.00841	0.00439	0	0	0	0	0	0	0.00884	0	0.313106999849373	0.182316543906332	0.739173920477063		NA	
C1698608	Chloridazon	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.413350337144396	0.261411834550611	0.582674755073441		0	
C1702176	Clopyralid	0	0	0	0	0	0	0.000306	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0831	0	0	0.21616914016324	0.13379045126151	0.873574881429317		0	
C171866312	CP-283097	0.0212	0	0	0	0	0	1.59e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00798	0	0	0.292	0	0	0.00782410796372265	0.00383811623020149	2.4158818776019		NA	
C1724396	Cyclododecanol	0.0221	0	0	0.00484	0	0.0286	0	0	0	0	0	0	0	0	0.002	0	0.00296	0.0023	0	0	0.0156	9.16e-06	0	0	0	0	0.56719981572016	0.196302362380439	0.707074473896604		0	
C173584446	Indoxacarb	0	0	0	0	0	0	0	0	0.000464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.116	0	0.0144447112704616	0.00485564105794319	2.31375342496332		NA	
C17372871	Eosin	0	0.000439	0	0	0	0	0	0	0.00304	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.206	0	0.131509779674221	0.0756891111911313	1.12096659460493		0	
C1742149	1,1-Bis(3,4-dimethylphenyl)ethane	0	0	0	0	0	1.28e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0536	0	0	0	0	0.740500117843951	0.328696602763738	0.48320478453592		0	
C17465860	gamma-Cyclodextrin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.605178496256229	0.288096576639706	0.540461902272584		0	
C175013180	Pyraclostrobin	0	0.000357	0	0	0	0	0	0.0214	0.142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0642	0.00249	0.0883424686651907	0.0600774888254958	1.22128822866738		NA	
C1760243	N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00270901354276371	0.00170775328300651	2.76757487109915		NA	
C1762954	Thiocyanic acid, ammonium salt	0	0	0	5.24e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0.107	0	0	0	0	0	0	0	0	0.94860481227063	0.353662411833214	0.451411095686764		NA	
C1763231	PFOS	0.000259	0.00114	0	0	0	0.00805	0	0	0.000329	0	0	0	0	0	0	0	0	0	0	0	0	0.00838	0	0	0.0507	0	0.61702378087241	0.412043881700905	0.38505653016655		0.029	
C17696627	Phenylparaben	0.275	5.68e-07	0.0235	0	0	0	0	0.01	0	0	0.000721	0.0481	0	0	0.00215	0	0	0	0	0	0	0	0	3.83e-06	0	0	0.116186178097653	0.0635602999872284	1.19681406170867		0	
C177785476	PharmaGSID_47261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0218195855668266	0.00858991329285273	2.06601121994357		NA	
C17796826	N-(Cyclohexylthio)phthalimide	0.00292	0.0032	0	0	0	0.00347	0	0	0	0	0	0	0	0	0	0	0	0	0.00125	0	0.0331	0	0	0	0.0129	0	0.0647868496845151	0.0349677410261213	1.45633242292606		0	
C17804352	Benomyl	0	0	0	0	0	0	0.00297	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.108	0	0	0.0586378310412442	0.0282476518671561	1.5490176477922		0	
C17924924	Zearalenone	0.71	0	0	0	0	0	4.27e-06	0	0	0	0.000149	0	0	0	0.000239	0	0	0	0	0	0.0185	0	0	0.0372	0	0.00127	0.0392484589367669	0.0305793988009277	1.5145710571842		NA	
C179465715	CJ-013790	0.0185	0	0	0	0	5.29e-06	8.13e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	0	0	0.0099	0	0.0167	0.021264049109422	0.00574094064300238	2.24101694338666		NA	
C180084019	SB236057A	0	0.0595	0	0	0	0	0	0	0.00569	0	0	0	0	0	0	0	0	0	0.00215	2.54e-07	0	0	0	0	3.59e-06	2.02e-05	0.00793228252262755	0.00285430751300864	2.54449923934739		NA	
C1806264	4-Octylphenol	0.118	0	0	2.04e-05	0	0.00191	0	0	0	0	0	0	0	0	0.000957	0	0.000949	0.000236	0	0	0.048	0	0	0.00163	0	0	0.0377312690376622	0.0305230050984585	1.51537271077514		0	
C181274157	Propoxycarbazone-sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0439626990077558	0.0279494278672581	1.5536270778182		NA	
C181274179	Flucarbazone-sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.126078206297596	0.0774700426353977	1.11086620502059		NA	
C181640095	SR144190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0075117165639918	0.00217263911454435	2.66301240602099		NA	
C18172673	(-)-beta-Pinene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.159639574382152	0.0527375553594949	1.27788000572363		0	
C1825214	Pentachloroanisole	0	0	0	0.0696	0	0	0	0	0	0	0	0	0.000513	0	0.0222	0	0.015	0	0	0	0	0	0	0	0	0	0.290092562390817	0.190329201049164	0.720494575445937		0	
C1836755	Nitrofen	0	0	0	0	0	0.196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.051	0.000593	0	0	0	0	0.148507289682462	0.0994779177649175	1.00227331379887		NA	
C1843056	Octabenzone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0184799743242481	0.0126641212352202	1.89742494057028		0.0773	
C184653847	Carabersat	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0137151524970702	0.00324100669373217	2.48932007200761		NA	
C1861321	Chlorthal-dimethyl	0	0	0	0.025	0	0	0	0	0	0	0	0	0	0	0.0128	0.0071	0.00693	0	0	0	0	0	0	0	0	0	0.298561538959909	0.209602517431551	0.678603505562044		0	
C1861401	Benfluralin	0.0398	5.32e-07	0	1.4e-05	0	0	0	0	0	0	0	0	0	0	0.00724	0	0	0	0.0139	0	0.00218	0	0	0	0	0	0.000738915719488786	0.000569886673093159	3.24421149896541		0.0823	
C186392654	Ingliforib	0	2.63e-05	0	0	0	0	0	0	3.63e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0579	0	0.018499272590889	0.00596812331224915	2.22416221213122		NA	
C1873887	1,1,1,3,5,5,5-Heptamethyltrisiloxane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.584013135885979	0.566167732998005	0.247054885554157		0	
C188425856	Boscalid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.337919365000897	0.249252734116401	0.603360069103956		NA	
C188489078	Flufenpyr-ethyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0363770455831893	0.0234630093807073	1.62961628575775		0	
C189003927	Trelanserin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0410694037707486	0.0182531063962425	1.73866321471748		NA	
C18924668	2,2'-(Tetradecylimino)diethanol	0	0.0742	0.0299	0	0	0	0	0	0	0.0439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00136620282010604	0.000472644157224196	3.32546570643841		0	
C1897456	Chlorothalonil	0	2.73e-05	0	0	0	0	0.000479	0	0.072	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0396	0	0.0375	0	0.7241785751256	0.418621662791854	0.378178301588498		0	
C18979550	4-(Hexyloxy)phenol	0.161	3.4e-08	0.00103	0	0	0	0	0	0	0	0	0.155	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0233178844969447	0.0188352120474488	1.72502948613135		0.00293	
C19044883	Oryzalin	0	0	0	0	0	0	0	0	0.000528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0969	0	0.0108147171249609	0.00428916552286988	2.36762719361126		NA	
C1907659	N-Butyl-p-toluenesulfonamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000618733088942646	0.000419133763427976	3.37764735305343		0	
C1912249	Atrazine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.564729270718959	0.227587509049808	0.642851577512494		0	
C1918009	Dicamba	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.167400887520585	0.0883535092348692	1.05377619645633		NA	
C1918021	Picloram	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.244121909231267	0.144777355526043	0.839299360370479		0	
C1918167	Propachlor	0	0.000365	0	0	0	0	0	0	0.093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0559	0	0.0396287311882867	0.0238556376864921	1.62240896979786		NA	
C1929733	2,4-D-Butotyl	0	0	0	0	0	0	0.000455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.104	0	0	0.0133414672937854	0.00944448636901563	2.02482165586473		0	
C1929777	Vernolate	0	9.7e-09	0.00108	0	0	0	0	0	0	0	0.176	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000154405782471544	0.000327432587493047	3.48487809992675		0	
C1929824	Nitrapyrin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.507157956726216	0.379897373774513	0.420333708706873		0	
C1934210	FD&C Yellow 5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.234832173412848	0.131745110154527	0.880265495070376		NA	
C1936158	C.I. Acid Orange 10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.122246515607815	0.0713063683002714	1.14687168201123		0.0473	
C194098254	CP-409092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0512780047251052	0.0264305031120327	1.57789456987245		NA	
C1948330	tert-Butylhydroquinone	0.00291	0	0	0	0	1.11e-05	0	0	0	0	0	0	0	0	0	0	0.000444	0	0	0	0.14	0	0	0	0	0	0.303007529009209	0.138126350910005	0.859723461442187		0	
C19666309	Oxadiazon	0	0	0	0	0	5.52e-05	0	0	0.0649	0	0	0	0	0	0	0	0	0	0	0	0	0.0432	0	0	0	0	0.0848165421095252	0.062859850812703	1.20162665404222		NA	
C196808454	Farglitazar	0	7.61e-06	0	0	0	0.0068	0	0	0.00137	0	0	0	0	0	0	0	0	0	0	0	0	0.457	0	0	0.0852	0	0.0118323829044908	0.00325080860392262	2.48800859946948		NA	
C197077557	UK-333747	0	0	0	0	0	0	0.000705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.072	0	0	0.234697348758088	0.109793110570273	0.959424910661757		NA	
C19774824	Amiodarone hydrochloride	0	1.1e-07	0.00136	0	0	0	0	0	0	0	0	0.146	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00651033294336257	0.00405635531496448	2.39186401014173		NA	
C19780111	(2-Dodecenyl)succinic anhydride	0	0	0	0	0	0	0	0	0.00144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0905	0	0.173633664713047	0.0530312888819813	1.27546781758198		NA	
C1987504	4-Heptylphenol	0.113	0	0	0	0	0.0151	0	0	0	0	0	0	0	0	0.000364	0	0.000736	2.32e-06	0	0	0.0113	0.00168	0	0.000822	0	0	0.0365933153528246	0.0279319480917684	1.55389877371535		0	
C199119589	Trifloxysulfuron-sodium	0.00375	0	0	0	0	0	2.45e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00466	0	0.0729	0	0	0.0572925408855124	0.0311484035323493	1.50656420758776		NA	
C199171885	CP-401387	0	0	0	0	0	9.65e-05	0	0	0.00261	0	0	0	0	0	0	0	0	0	0	0	0	0.0471	0	0	0.15	0	0.0252626621956104	0.0140047356781146	1.85372508352871		NA	
C199584388	1-Methoxy-4-tert-pentylcyclohexane	0	0	0	0	0	0.0462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.386	0	0	0	0	0.153775351922557	0.0817438286010596	1.08754502528145		0	
C2008415	Butylate	0	0	0	0	0	9.08e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0887	0	0	0	0	0.00322296064535875	0.00345257436857572	2.46185695792986		0	
C200940234	SB243213A	0	0	0	0	0	0.000109	0	0	0.00144	0	0	0	0	0	0	0	0	0	0	0	0	0.0598	0	0	0	0.0753	0.0253028280391217	0.0143484719982513	1.84319434548475		NA	
C2016571	1-Decanamine	0	0	0	0	0	0.000305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.131	0	0	0	0	0.0511759937462263	0.0103874675708274	1.98349031905214		0	
C20265978	4-Methoxyaniline hydrochloride	0	0.000182	0	0	0	0	0	0	0.0014	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.143	0	0.189546365768899	0.120191795893384	0.920125175593111		0	
C2031676	Triethoxymethylsilane	0	0	0	0	0	0.000255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0577	0	0	0	0	0	0.214495355259769	0.172115260773799	0.764180620805403		0	
C20325400	3,3'-Dimethoxybenzidine dihydrochloride	0	0	0	0	0	0.000657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.267	0	0	0.0284	0	0.13359024012232	0.104666738854431	0.980191307117114		0	
C203942498	UK-337312	0.0021	0.0124	1.59e-06	0	0	0	0	0	0	0	0.0451	0	0	0	0	0	0	0	0	0	0	0	0.0231	0	0	0.00205	0.00499659734369754	0.00191267750945081	2.71835824882922		NA	
C2043574	1H,1H,2H,2H-Perfluorooctyl iodide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.283286141359524	0.221632416071372	0.654366719163215		NA	
C2044646	N,N-Dimethylacetoacetamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00681566531530175	0.00274714117009898	2.56111902247981		NA	
C2058460	Oxytetracycline hydrochloride	0	0	0	0	0	8.07e-05	0	0	0.000449	0	0	0	0	0	0	0	0	0	0	0	0	0.0156	0	0	0.0738	0	0.0125892811338545	0.00269017557838664	2.57021937418494		0	
C2058948	Perfluoroundecanoic acid	0.00337	0.00933	0	0	0	0	0	0	0.000669	0	0	0.0511	0	0	0	0	0	0	0	0	0	0	0	0	0.0525	0	0.44786116005617	0.234781469217297	0.629336183975799		0.0209	
C205992	Benzo(b)fluoranthene	0.012	0	0	0	0	0.000457	0.0434	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.124	0	0	0	0	0.787498058434905	0.356501432557913	0.447938720648731		0	
C206440	Fluoranthene	0.00745	0	0	0.0297	0	0	9.89e-07	0	0	0	0	0	0	0	0.0112	1.11e-05	0.00508	0.00108	0	0	0	0	0	0.0498	0	0	0.788688892315901	0.352853609850841	0.452405435179595		0	
C207736058	CI-1029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0122625356139697	0.00196455435399927	2.70673595091153		NA	
C20780487	3,7-Dimethyloctan-3-yl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.171078772795834	0.0471319803678552	1.32668431188979		0	
C2078548	Propofol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.48347209864527	0.237400984824252	0.624517483768744		0	
C20830755	Digoxin	0	0.000148	0	0	0	0	0	0	0.00184	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.336	0.044252850384566	0.0227907608443038	1.64224117613743		NA	
C208968	Acenaphthylene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.79890270969251	0.359245922167628	0.444608152880998		0	
C2104645	EPN	0.0868	0	0	0	0.00499	0.0598	5.5e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00172	0.0133	0	0.00188	0	0	0.0416762483729747	0.0240729854702485	1.61847004629113		0	
C210631688	Topramezone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0248429856658844	0.00913159171290932	2.03945351470201		NA	
C210826407	CP-456773	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0215823647106454	0.00745483490944246	2.12756196974446		0	
C21087649	Metribuzin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.500162902248057	0.205705083373703	0.686754975909211		NA	
C210880925	Clothianidin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.336614823236402	0.0723878037293577	1.1403345998143		0	
C2110181	2-(3-Phenylpropyl)pyridine	0.0171	0	0	0	0	0.00139	5e-06	0	0	0	0	0	0.00242	0	0	0	0	0	0	0	0.0156	0	0	0.0463	0	0	0.194136131359333	0.140238783747987	0.853131863413324		0	
C21145777	6-Acetyl-1,1,2,4,4,7-hexamethyltetralin	0.0388	0	0	0.0383	0	0.0421	0	0	0	0	0	0	0	0	0.015	0	0	0.00132	0	0	0.0228	5.51e-07	0	0	0	0	-1	-1	0		NA	
C2122705	Ethyl 1-naphthaleneacetate	0	0	0	2.57e-06	0	0	0	0	0	0	0	0	0	0	0.0591	0	0	0	0	0	0	0	0	0	0	0	0.133663383517776	0.1029483584882	0.987380573817202		0	
C21245023	2-Ethylhexyl 4-(dimethylamino)benzoate	0.0114	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0532	0	0	0.00352	0	0	0.0104054460122377	0.00479081014710977	2.31959103926423		NA	
C2144538	Tridecafluorohexylethyl methacrylate	0.0134	0	0	0	0	0.0798	0	0	0	0	0	0	0	0	0	0	0	0	0.00121	0	0.0243	0	0	0	0	0	0.15553574703407	0.0549714574850641	1.2598627482202		NA	
C214535770	CP-457677	0	0	0	0	0	0	0	0	0.000355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0746	0.0293035975044568	0.0119260981210939	1.92350162184972		0	
C215297271	UK-343664	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.018860891306031	0.00967471089283407	2.01436200403751		NA	
C2155706	Tributyltin methacrylate	0	0.132	0	0	0	0	0	0	0.12	0	0	0	0	0	0	0	0	0	0	0	0	0	1.56e-05	0	0	0.0271	0.0704699267052881	0.0483242219321568	1.31583512981449	EAS low AUC hi	NA	
C21564170	2-(Thiocyanomethylthio)benzothiazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.354851562301264	0.256652143402782	0.5906551044244		0	
C2164172	Fluometuron	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.184764385853728	0.0963260197270032	1.01625638476016		0	
C21662099	(4Z)-4-Decenal	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.155688041825296	0.0697254131051751	1.15660890397096		0	
C21725462	Cyanazine	0	0	0	0	0	0.000257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0826	0	0	0	0	0.355664244702367	0.0871384744558209	1.05979004758156		0	
C2176627	Pentachloropyridine	0	0	0	0	6.38e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0617	0	0	0	0	0	0	0.462459668720579	0.388947408358206	0.410109117964606		0	
C219714962	Penoxsulam	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0875117291433242	0.0493696733837982	1.306539745944		NA	
C219790724	SB281832	0	4.35e-07	0	0	0	0	0	0	0.000687	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.231	0	0.100210373349249	0.0497889989436423	1.30286660555067		NA	
C22047490	2-Ethylhexyl octadecanoate	0	0	0	0	0	0.0491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0322	0	0	0	0	0.270023981441612	0.0441823773617062	1.3547509193543		0	
C220860504	CP-457920	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0651392926659052	0.0325893780497906	1.48692392772514		NA	
C221246124	Fandosentan potassium salt	0	0	0	0	0	0	0	0	0.000348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.082	0	0.00723169249680302	0.00202307398881554	2.69398823371624		NA	
C2212671	Molinate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000977824085752047	0.000491777878246991	3.3082310111226		0	
C221671621	SR146131	0	0.00907	0	0	0	0	0	0	0.000774	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.112	0	0.0195816424191975	0.00728266197122	2.1377098475963		NA	
C22224926	Fenamiphos	0	0	0	0	0	0.000273	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0796	0	0	0	0	0.0505029932142707	0.0248067121407194	1.60543079291299		NA	
C22248799	Z-Tetrachlorvinphos	0	0	0	0	0	0.0211	0	0	0.00129	0	0	0	0	0	0	0	0	0	0	0	0.00517	0.00424	0	0	0.129	0	0.30017573476366	0.252633596988041	0.597508894413048		NA	
C22260511	Bromocriptine mesylate	0	0.0351	0.000331	0	0	0	0	0	0	0	0	0.131	0	0	0	0	0	0	0	0	0	0	0	0	0.0932	0	0.00975984146813117	0.0030861051520909	2.51058928041324		NA	
C2231574	Thiocarbazide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0299	0	0	0	0	0.968526899726538	0.33750396523307	0.471721120407102		0	
C2243621	1,5-Naphthalenediamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0.135	0	0	0	0	0	0	0	0	0	0	0	0	0.735253943259106	0.385403165509018	0.414084722588057		0	
C2244215	Potassium dichloroisocyanurate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.606935633061671	0.262741581012697	0.58047119110679		NA	
C22781233	Bendiocarb	0	0	0	0	0	0.000721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.117	0	0	0	0	0.0868674884349676	0.0324507477854701	1.48877529099423		0	
C22839470	Aspartame	0.00559	0	0	0	0	0	4.92e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0152	0	0.0166	0	0	0.0294428734187294	0.00367351858994117	2.43491775805496		NA	
C22915737	Hexane-1,6-diyl dibenzoate	0.00322	0	0	0	0	0	3.71e-06	0	0	0	0	0	0	0	0.0015	0	0	0	0	0	0	0	0	0.0758	0	0	0.124344809653732	0.0770365114724905	1.11330339206409		0	
C23031369	Prallethrin	0	0	0	0	0	0	0	0	0.0433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0402	0.112173051811123	0.0524162207545722	1.28053429519032		0	
C2303175	Tri-allate	0	0	0	0	0	1.94e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0464	0	0	0	0	0.0117987539294244	0.00675122154063435	2.17061764044899		NA	
C23089261	Levomenol	0	0	0	0	0	0.000861	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.137	0	0	0	0	0	0.119353046378846	0.0509174287124746	1.29313353597241		0	
C230954093	CP-544439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00812401985908022	0.00154757853553865	2.81034730244638		0	
C2310170	Phosalone	0.000105	0	0	0	0	0.0665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0225	0	0	0	0	0	0.0398218991965966	0.0295038099535065	1.53012189809153		0	
C23103982	Pirimicarb	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.137169606312335	0.0633997318383726	1.19791257904826		NA	
C2312358	Propargite	0	0.000113	0	0	0	0	0	0.194	0.064	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00181	0	0.0230779460970321	0.0170353042070083	1.76865010663702		NA	
C23135220	Oxamyl	0	0	0	0	0	0.000217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.144	0	0	0	0	0.049177605480972	0.0131623657266796	1.88066604615476		0	
C23184669	Butachlor	0	0.00908	0	0	0	0	0	0	1.51e-06	0	0	0	0	0	0	0	0	0	0	0.000365	0	0	0	0	0.0281	0	0.00103791734195518	0.000540588139694359	3.26713348679452		0	
C2321075	Fluorescein	0.00451	0.0354	0	0	0	0.00113	0	0	1.26e-05	0	0.0503	0	0	0	0	0	0	0	0	0	0.000479	0.00144	0	0	0.0185	0	0.126887234660083	0.0706267597278791	1.15103071820845		0	
C23386529	Dicyclohexyl sodium sulfosuccinate	0	0	0	0	0	0.00299	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.295	0	0	0	0	0.129611179448778	0.0582869168330815	1.23442891667906		0	
C23422539	Formetanate hydrochloride	0	0	0	0	0	7.94e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0203	0	0	0	0	0.0640782883854019	0.030919746262604	1.50976407869948		NA	
C2353459	FD&C Green No. 3	0	9.2e-05	0	0	0	0.00785	0	0	0.00177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	0.00778570296801968	0.00240848361183277	2.61825630443147		0	
C23564058	Thiophanate-methyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.349625123021315	0.184178923690307	0.734760069300427		0	
C23564069	Thiophanate	0	0	0	0	0	0	0.000884	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.167	0	0	0.172367130923743	0.106756184444014	0.971606956657875		0	
C23593751	Clotrimazole	0.000434	0.00844	0	0	0	0.147	0	0	0.0341	0	0	0	0	0	0	0	0	0	0	0	0.00885	0.000232	0	0	0	0.00366	0.522154841413903	0.372333107625823	0.429068344872333		NA	
C23779320	1-[3-(Triethoxysilyl)propyl]urea	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0125219076478627	0.0143484476524393	1.84319508237581		NA	
C2385855	Mirex	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.461348944469774	0.279884159766291	0.553021680028865		NA	
C2386870	UT-632	0.00355	0	0	4.02e-06	0	0	0	0	0	0	0	0	0.0365	0	0	0	0	0	0	0	0	0	0	0.0434	0	0	0.218741232028247	0.0812103842657587	1.09038843453995		NA	
C2390605	Basic Blue 7	0	0.0669	0	0	0	0	0	0	0	0	0.00117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0277	0.012694565711748	0.00732668892869982	2.13509224703299		NA	
C2392394	Dexamethasone sodium phosphate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0308409980377127	0.0136490985398978	1.8648960308266		0	
C23950585	Propyzamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.147415374035815	0.0961402183889374	1.01709489567728		0	
C2396681	4-tert-Butylbenzenethiol	0.0234	0.000346	0.143	0	0	0	0	0	0	0.0243	0.00587	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.457083471446034	0.184265950439965	0.734554908417424		0	
C2409554	2-tert-Butyl-4-methylphenol	0	0.0164	0	0	0	0	0	0	0	0	0	0	0	0	0.0254	0	0.000651	0	0	0	0	0	0	0	0.0308	0	0.249051876107657	0.105760513437703	0.975676449475116		0	
C24157811	2,6-Diisopropylnaphthalene	6.27e-05	0	0	0	0	0.000498	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.131	0	0	0	0	0	0.727388504191493	0.325650599043764	0.487248118591812		0	
C24169026	Econazole nitrate	0	0.0666	0	0	0	0	0	0	0.00754	0.0726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0456	0.118131747046947	0.0648932878125905	1.18780022179296		0	
C2416946	2,3,6-Trimethylphenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.427312912628363	0.185704756108615	0.731176973345432		0	
C2425061	Captafol	0	0	0	0	0	0	0	0	0.0813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0288	0	0.0593345441388563	0.0250927036409833	1.60045254262714		0	
C2425776	2-Hexyl-1-decanol	0.0021	0.00695	0	0	0.00038	0	0	0	0	0	0	0	0	0.00173	0	0	0	0	0.151	0	0	0	0	0	0	0	0.274643241320633	0.0609256145998611	1.21520008108486		0	
C2426086	Butyl glycidyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13262706151254	0.0504066601900345	1.29751207679493		0	
C24307264	Mepiquat chloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000688738496574456	6.3952740099208e-05	4.19414084314042		NA	
C2432873	Dioctyl succinate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.245084127157698	0.0289599192028759	1.53820265413905		0	
C2433149	4-Cyclohexylcyclohexanol	0.0253	0	0	0.0239	0	0.00397	0	0	0	0	0	0	0	0	0	0	0.000316	1.47e-05	0	0	0.0242	0	0	0	0	0	0.311661850303091	0.172950216117451	0.762078890957756		0	
C2440224	2-(2H-Benzotriazol-2-yl)-4-methylphenol	0.0875	0	1.96e-05	0	0	0.00846	1.29e-07	0	0	0	0	0.0322	0	0	0	0	0	0	0	0	0	0	0	0.0158	0	0	0.243352154370346	0.242989538323057	0.614412424123389		0	
C2445774	2-Methylbutyl isovalerate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.256514513126575	0.0782630263093126	1.10644336261955		0	
C2451629	Triglycidyl isocyanurate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.242711562887021	0.0990974472732686	1.00393753269346		NA	
C24549062	2-Ethyl-6-methylaniline	0.00519	0	0	0.00762	0	0	3.8e-06	0	0	0	0	0	0	0.0118	0	0.00132	0	0	0	0	0	0	0	0.012	0	0	0.443629134701117	0.205860111117312	0.686427797140565		0.0644	
C2457014	Barium bis(2-ethylhexanoate)	0.011	0.032	0	3.78e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0148	0	0.05	0	0	0	0	0	0	0.180025325299997	0.0493430456416134	1.30677404770148		0	
C24602866	Tridemorph	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00173307208183401	0.00081084188995006	3.09106382275133		0	
C2465272	Auramine hydrochloride	0	0.000345	0	0	0	0	0	0	0.183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.39e-07	0.034	0.115248562203956	0.0630532844036797	1.20029228639076		0	
C2467029	Bisphenol F	0.0303	0	0	0.0452	0	0	0	0	0	0	0	0	0	0	0.00169	0	0	0.00486	0	0	0.0295	0	0	0	0	0	0.415346267670079	0.182372575471954	0.739040468730574		0	
C24800440	Tripropylene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.379445144850193	0.0960472616353022	1.01751501262041		0	
C24851987	Methyl dihydrojasmonate	0	0	0	0	0	0	0.000424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.062	0	0	0.104904063844965	0.0382524076640449	1.41734122450249		NA	
C2491385	2-Bromo-4-hydroxyacetophenone	0.0164	0	5.34e-06	0	0	0.0215	0	0	0	0	0.0835	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0992964765382555	0.0490092695118294	1.30972177064276		0	
C2492264	Sodium 2-mercaptobenzothiolate	0	0	0	0	0	8.3e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0737	0	0	0	0	0.462579504300663	0.457070905631467	0.340016422390062		0	
C249296433	CJ-013610	4.43e-05	0.0638	0	0	0	0	0	0.13	0.122	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00709	0.00118	0.0217854876856196	0.00584041978794465	2.23355593627188		NA	
C25057890	Bentazone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.175828357364109	0.108165846064226	0.965909848354894		NA	
C25155184	Methylbenzethonium chloride	0.00822	0.152	7.09e-06	0.00843	0	0	0	0	0	0	0.0421	0	0	0	0	0	0.000629	0	0	0	0	0	0	0	0	0	0.0136334573802333	0.0100042497332349	1.99981547563684	EAS low AUC hi	NA	
C25155300	Sodium dodecylbenzenesulfonate	0	0.0185	0	0	0	0	0	0	0	0	0	0.00222	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0136870003966239	0.0197681201167927	1.70403462869957		0.0477	
C25168052	Chlorotoluene	0	0	0	0	0.000874	0	0	0	0	0	0	0	0	0	0	0	0	0	0.139	0	0	0	0	0	0	0	0.796758368043605	0.351034680059345	0.454649975800852		0	
C25265718	Dipropylene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.593573228340586	0.207960183191465	0.68201980866966		0	
C2528167	Monobenzyl phthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.200319132179743	0.10173353605021	0.992535860049536		0.00157	
C25322694	Polypropylene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.74481270503485	0.141883218320152	0.848068969038332		0	
C253450098	Besonprodil	0	0	0	0	0	0	0.00071	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.132	0	0	0.0102932210868969	0.00325438329740801	2.48753129769729		NA	
C25360105	tert-Nonanethiol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.127279215065004	0.0439791056340742	1.35675360676549		0	
C25496724	Glyceryl monooleate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.196926342329623	0.065248800889196	1.18542746516961		0	
C25498491	Tripropylene glycol monomethyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.638863474807659	0.162100662485731	0.790215210239028		0	
C2550405	Dicyclohexyl disulfide	0.00737	0	0	0.00184	0	0.0597	0	0	0	0	0	0	0	0	0.0033	0	0.0156	0	0	0	0.00107	0.0118	0	0	0	0	0.41675714030827	0.335516617040475	0.47428596577734		NA	
C2554065	1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane	0.0268	0	0	0	0	0.0581	0	0	0	0	0	0	0.000384	0	4.72e-05	0	0	0	0	0	0.0056	0.00356	0	0	0	0	0.574317271354492	0.763441644720355	0.117224153557792		0	
C25550985	Diisodecylphenyl phosphite	0	2.1e-07	0	0	0	0	0	0	0.000723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.187	0	0.0385610251017315	0.043504857862904	1.36146224591297		0	
C25606411	Propamocarb hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00383258373963318	0.00343285361579804	2.46434471542266		NA	
C25638179	Butylnaphthalenesulfonic acid sodium salt	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00996641724766462	0.00706586547849242	2.15083463501673		0	
C25812300	Gemfibrozil	0	0	0	0	0	0.0564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0302	0	0	0	0	0	0.0188713974007117	0.0123207291965913	1.90936358789528		NA	
C2593159	Etridiazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.315305822478952	0.121512237837383	0.915379980850842		NA	
C25956176	Allura Red C.I.16035	0	0.0157	0	0.00423	0	0	0	0	2.2e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0946	0.0596290958790709	0.0282418976821363	1.54910612471688		0.0473	
C26002802	Phenothrin	0	0	0	0	0	0.0834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00961	0	0	0	0	0.0512397210792083	0.029267096719716	1.53362035720898		0	
C26027383	Polyoxyethylene(10)nonylphenyl ether	0.0406	0.0575	0	0	0	0	0	0.105	0.000527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.6e-05	0.000114	0.0196371123842588	0.0136910117503005	1.86356445680854		0	
C26040517	Bis(2-ethylhexyl) tetrabromophthalate	0.000358	0	0	0	0	0	0	0.377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0533497617602147	0.0302795056177972	1.51885121996508		0	
C2610119	C.I. Direct Red 81 disodium salt	0	8.5e-05	0	0	0	0	0	0	0.00134	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.216	0.0745885506204858	0.0556376638057286	1.25463111407865		0	
C26172554	5-Chloro-2-methyl-3(2H)-isothiazolone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.38821057524829	0.279517790715466	0.553590544973744		NA	
C261947380	CP-532623	0	0	0	0	0	3.7e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0299	0	0	0	0	0	0.00966211170499573	0.00267440684316239	2.57277252515918		NA	
C26225796	Ethofumesate	0.00195	0.0129	0	0	0.000585	5.28e-06	0	0	0	0	0	0	0	0	0	0	0	0	0.000229	0	0.0434	0	0	0	0	0.00025	0.0740683101373772	0.0658635300383759	1.18135499644368		NA	
C262376750	HMR1426	0.0176	0	0	0	0	2.84e-05	4.25e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0732	0	0.123	0.0286	0	-1	-1	0		NA	
C26264062	Calcium dodecylbenzene sulfonate	0	0.0477	0.0086	0	0	0	0	0	0	0	0.0234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0106330144349159	0.0184013327725575	1.73515072075103		0.0328	
C2627954	1,3-Divinyl-1,1,3,3-tetramethyl disiloxane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.478472759182625	0.613452088945174	0.212219350327772		0	
C2634335	1,2-Benzisothiazolin-3-one	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.501613685624426	0.430942398401656	0.365580775612149		NA	
C263553339	GW473178E methyl benzene sulphonic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0124246929579585	0.00400282916401574	2.39763294467094		NA	
C26402266	Glyceryl monooctanoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.21244331549672	0.0562546760270139	1.24984137209081		0	
C26447109	Ammonium xylene sulfonate	0	2.31e-07	0	0.000264	0	0	0	0	0	0	0	0	0	0	0	0	0	0.131	0	0	0	0	0	0	0	0	0.461893295560039	0.265103461323993	0.576584601862921		0.0365	
C264618442	SSR146977	0	0	0	0.000574	0	0	0	0	0	0	0	0	0	0	0	0.0908	0	0	0	0	0	0	0	0	0	0	0.0103124948981338	0.00475682684894542	2.322682656845		NA	
C26530201	Octhilinone	0	0	0	0	0	0.000171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0946	0	0	0	0.021	0	0.00443881614818367	0.00825892951211519	2.08307624046529		0.0651	
C26628228	Sodium azide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.966167418399303	0.117663354581842	0.929358774037856		NA	
C26644462	Triforine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0755565409830895	0.0137061133011867	1.86308568242109		NA	
C2675776	Chloroneb	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.288882005611182	0.195324197860838	0.709243950534715		0	
C2687254	2,3-Diaminotoluene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0361	0	0	0	0	0	0.766621728920905	0.392605578715618	0.406043533599499		0	
C2687947	N-Octyl-2-pyrrolidone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00428377182000849	0.00269468497259749	2.56949199955314		0	
C2687969	1-Dodecyl-2-pyrrolidinone	0	7.85e-05	0	0	0	0	0	0	0.0023	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0925	0	0.00465723450749145	0.00275129086891533	2.56046349318459		0	
C26896208	Neodecanoic acid	0	0	0	0	0	1.51e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0387	0	0	0	0	0.158404373263833	0.0700176445974157	1.15479250304757		0	
C2694544	Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate	0	0	0	0	0	8.63e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0744	0	0	0	0	0.148096059756721	0.0726132150633673	1.13898433375144		0.00157	
C2696846	4-Propylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.132361612537092	0.0583185671205303	1.23419315511689		0.0357	
C2702729	2,4-D sodium salt	0	0	0	0	0	0	0.000432	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0654	0	0	0.0810070946230875	0.0412870161443228	1.38418650290591		0	
C27090637	N,N,N',N'-Tetrabutyl-1,6-hexanediamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00276174643783497	0.000448391144818041	3.34834297278232		0.0697	
C27138314	Di(propylene glycol) dibenzoate	0.00955	0	0	0.00231	0	0	5.36e-06	0	0	0	0	0	6.83e-05	0	0.00489	0	0	0	0	0	0	0	0	0.107	0	0	0.151742915108575	0.112162968408261	0.950150505562609		0.00371	
C27176870	Dodecylbenzenesulfonic acid	0.000491	0.0328	0.00345	0	0	2.73e-05	0	0	0	0.000427	0	0	0	0	0	0	0	0	0	0	0	0.0871	0	0	7.44e-05	0	0.0127738915681376	0.0193032645392138	1.71436923754797		0.0477	
C27178161	Diisodecyl hexanedioate	0	0	0	0	0	0	0.000417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0895	0	0	0.295975834952752	0.0559163178089273	1.25246143540109		0	
C271896	2,3-Benzofuran	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.38542832128066	0.31426049601101	0.502710208364231		0	
C27193868	Dodecylphenol	0.392	0	0	0	0	0.00395	2.01e-05	0.0377	0	0	0	0	0	0	0	0	0	2.21e-06	0	0	0.00922	0	0	0.00286	0	0	0.0578208540831957	0.0487061021113953	1.31241662508329		0.00583	
C27253334	Calcium neodecanoate	0.000105	0	0	0	0	0.0853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00535	0.00139	0	0	0	0	0.162356606489274	0.060116131122696	1.22100897695622		0.032	
C27306781	Silwet L77	0.000232	0.0464	0	0	0	0	0	0.0999	0.00653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0308	0	0.105818079897107	0.0453682345057928	1.34324812087308		NA	
C27314132	Norflurazon	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.33317094325541	0.213147026278158	0.671320722036298		0	
C27323417	Dodecylbenzene sulfonate triethanolamine (1:1)	0.0075	0	0	0	0	9.15e-06	8.91e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0123	0	0.102	0	0	0.00071746447809249	0.00022868377983074	3.64076463810344		NA	
C27344418	Disodium 4,4'-bis(2-sulfostyryl)biphenyl	0.00215	0	0	0	0	0	0.000607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0762	0	0	0	0.53589586928403	0.31377749195428	0.503378212663178		0.0365	
C2756561	Isobornyl propanoate	0	0	0	0	0	0.000553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0877	0	0	0	0	0	0.0994738778328182	0.0358504426755507	1.44550547736405		0	
C2761242	Triethoxypentylsilane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0985272662917802	0.0442840255927644	1.35375290691576		0	
C2772454	2,4-Bis(1-methyl-1-phenylethyl)phenol	0.0274	0	0	0.00171	0	0.115	0	0	0	0	0	0	0	0	0	0	0	0.00366	0	0	0.00841	0.00326	0	0	0	0.0137	0.196221661866394	0.0877444828672062	1.05678018125138		0.0164	
C2782572	Troclosene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.7911928583784	0.432975869929406	0.363536306530049		0	
C2783940	FD&C Yellow 6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.119312013707072	0.0686028178534376	1.16365804532728		0.0473	
C2795393	PFOS-K	0	0	0	0	0	0.0867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000311	0.0069	0	0	0	0	0.579928466956818	0.369370256212518	0.432538079342064		0.00114	
C27955948	4,4',4-Ethane-1,1,1-triyltriphenol	0.319	5.19e-07	0.0202	0	0	0	0	0	0	9.82e-07	0.00119	0.0236	0	0	0	0	0.000876	0	0	0	0.00178	0.00846	0	0.000496	0.000471	0	0.233123189344055	0.1050658608406	0.978538376807819		0.00196	
C2807309	2-Propoxyethanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.201229922872791	0.042554200630609	1.37105756317869		0	
C28159980	Cybutryne	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.513857545865334	0.20154444168916	0.695629174573757		0	
C28249776	Thiobencarb	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0788	0	0	0	0	0	0.00641380579867662	0.00480598279516728	2.31821778825066		NA	
C283594901	Spiromesifen	0	0	0	0	0	3.97e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0522	0	0	0	0	0.0406124355551666	0.0243986035958498	1.61263502890599		0	
C2835952	5-Amino-2-methylphenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.314990621033117	0.179078056580941	0.746957627381921		NA	
C28434006	S-Bioallethrin	0	1.3e-07	0	0	0	0	0	0	0.0812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0206	0.121391148905736	0.0553329012781428	1.25701655776246		0	
C28631665	C.I. Acid Blue 22	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.136334888815888	0.0804760657912626	1.09433326299029		NA	
C2870328	C.I. Direct Yellow 12	0	0.00029	0.0918	0	0	0	0	0	0	0	0.042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0372988788259409	0.0220937813182507	1.65572994890394		0	
C28804888	Dimethylnaphthalene	0	0	0	0	0	3.21e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0218	0	0	0	0	0.768486507492875	0.286704408768777	0.542565628681593		0	
C288104790	Surinabant	0.0866	0	0	0	0	5.33e-05	8.62e-07	0	0.0041	0	0	0	0	0	0	0	0	0	0	0	0	0.0168	0	0.0162	0.0176	0	0.0295158821026115	0.0163107393263964	1.78752635299423		NA	
C288324	Imidazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.96285220135246	0.836560160476589	0.0775028216788421		NA	
C288880	1H-1,2,4-Triazole	0.000127	0	0	0	0	0.104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0215	0	0	0	0	0.996002054926838	0.823827361775732	0.0841637879187162		0	
C2893789	Sodium dichloroisocyanurate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.800708680306098	0.453509043709147	0.343414047978051		0	
C289716945	CP-607366	0	0.00686	0	0	2.29e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00936	0	0	0	0	0	0	0.0437	0.086730896021654	0.0647554022644383	1.18872399441633		NA	
C290352282	CP-634384	0.00739	0	0	0	0	0.000178	1.83e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0136	0	0	0.0981	0	0	0.0129579902669962	0.00243743361444137	2.61306720384457		NA	
C29091212	Prodiamine	0.00775	0.0823	0	1.54e-05	0	0	0	0	0	0	0	0	0	0	0.00758	0	0	0	0.0379	0	0	0	0	0	0.00157	0	0.00598187721139421	0.00352851258561326	2.45240832917143		0.0372	
C29122687	Atenolol	0	0	0	0	0	1.63e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0177	0	0	0	0	0.0153186847821182	0.00423115478719783	2.37354108669984		NA	
C291305061	UK-373911	0	6.68e-08	0	0	0	0	0	0	0.0359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0334	0	0.0225693944221295	0.01384412805294	1.8587343922999		NA	
C2917739	Dibutyl nonanedioate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.20079525717253	0.0268331480573301	1.57132837303342		0	
C2919666	Melengestrol acetate	0.155	0	0.0254	0	0	0	0	0.154	0	0	0.00303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0569360136665779	0.0234479260992478	1.62989556333197		0.0202	
C2921882	Chlorpyrifos	0.0125	0	0	0.000347	0	0	0	0	0	0	0	0	0	0	0.0131	0	0.000153	0	0	0	0.00697	0.00631	0	0	0	0	0.08141026348146	0.0558242744428412	1.25317691281574		0	
C29232937	Pirimiphos-methyl	0.0176	0	0	0.00098	0	0.055	0	0	0	0	0	0	0	0	0.00287	0	0.00067	0	0	0	0.00155	0.0305	0	0	0	0	0.0458513987973971	0.0244141572983246	1.6123582616319		0	
C2934056	2,4-Diisopropylphenol	0.00488	0	0	4.9e-06	0	0.104	0	0	0	0	0	0	0	0	0	0	0.00148	0	0	0	0.0303	0	0	0	0	0	0.321267922711828	0.148655101206248	0.827820183077192		0	
C29385431	Tolyltriazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.776376877288777	0.523339288642164	0.28121666025365		0	
C29387868	Propylene glycol monobutyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.172278217513505	0.05332614425664	1.27305981681594		0	
C29420493	PFBS-K	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.416796869219181	0.421228437607553	0.375482316785843		0.00114	
C2943751	Triethoxyoctylsilane	0	0	0	0	0	1.12e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0609	0	0	0	0	0	0.1173647384605	0.0329079768972882	1.48269881625778		0	
C29590429	Isooctyl acrylate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.166022878298804	0.0509459915390672	1.29288998086164		0	
C2971360	2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane	0.568	0.0413	0.000103	0.000399	0	0	0	0	0	0.000662	0	0.000826	7e-04	0	0	0.0205	0	0.000353	0.0534	0	0	0	0	0	0	0	0.257264885082162	0.141616357243278	0.848886581037372		0	
C298000	Methyl parathion	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17541586029548	0.0888341029701489	1.05142027872021		0	
C298022	Phorate	0.0181	0	0	0	0	0.0101	7.29e-06	0	0	0	0	0	0	0	0.000721	0	0	0	0	0	0.0022	0.0122	0	0.0228	0	0	0.108006698777746	0.0410466681821882	1.38672208942922		0	
C298044	Disulfoton	0.025	0	0	0	0	0.00683	3.22e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.014	0	0.0196	0	0	0.0563676080906759	0.0216256628479769	1.66503057210329		0	
C298077	Bis(2-ethylhexyl) phosphate	0	7.85e-05	0	0	0	0	0	0	0.00326	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.137	0	0.144338747183978	0.051403497730829	1.2890073286017		0.0199	
C298198524	SSR180711	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0125086950312285	0.00474178293759192	2.32405833040078		NA	
C29836268	Octyl beta-D-glucopyranoside	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0894253828181794	0.0438780985187262	1.35775220107722		0	
C298464	Carbamazepine	0	0	0	0	0	0.000867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.11	0	0	0	0	0.377925187198918	0.22684870472722	0.644263696148579		NA	
C2996921	Trimethoxyphenylsilane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.471647372724934	0.613034683462478	0.212514953849844		NA	
C300765	Naled	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.713761691470908	0.585787151061678	0.232260158574889		NA	
C3025307	Ethyl (2E,4Z)-deca-2,4-dienoate	0	0.0214	0	2.5e-06	0	0	0	0	3.01e-07	0	0	0	0	0	0	0	0	0.0258	0	0.0102	0	0	0	0	0.0221	0	0.103739433833693	0.0486528074154901	1.31289209455538		NA	
C3026639	Sodium tridecyl sulfate	0	0.0186	0.0152	0	0	0	0	0	4.43e-07	0.00275	0	0.00564	0	0	0	0	0	0	0	0	0	0	0	0	0.00312	0	0.097172943256002	0.022953087470435	1.6391588882885		0.0108	
C302794	trans-Retinoic acid	0.000228	0	0	0	0	0.241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0818	0	0	0	0	0.0785845623088545	0.0508034964274433	1.29410639742295		0	
C3033770	N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0184430343055576	0.0119599022246442	1.92227237080505		NA	
C30399849	Isooctadecanoic acid	0	0	0	0	0	0.00033	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0663	0	0	0	0	0	0.194322163651863	0.0727261121173758	1.1383096288606		0.017	
C30516871	3'-Azido-3'-deoxythymidine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0526655963317978	0.0177707392026507	1.75029450663729		0	
C30560191	Acephate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.35862809918958	0.345899752735987	0.461049748437893		NA	
C3056175	Stavudine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.166582385917588	0.0366078511854109	1.43642576267016		0	
C307244	PFHxA	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.458170573933707	0.286519147673552	0.542846349434482		0.0209	
C309002	Aldrin	0.000104	0	0	0	0	0.225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00306	0.0176	0	0	0	0	0.397947513509206	0.195624832910315	0.708576016054698		0	
C311455	Paraoxon	0	0	0	0	0	0	0	0	0.00144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.148	0	0.0413638528585734	0.0280368029994419	1.55227150992289		0	
C31218834	Propetamphos	0	0	0	0	0	0.079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0304	0	0	0	0	0.0739826064173949	0.0691442484416607	1.16024393954506		NA	
C313994795	MK-578	0	0	0	0	0	0.00115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.144	0	0	0	0	0.00261330375304195	0.000568811527730008	3.2450316106278		NA	
C314409	Bromacil	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.279635071149392	0.0865788374529753	1.06258825002145		0	
C3147759	Octrizole	0	0	0	0	0	0.028	0	0	0.000341	0	0	0	0	0	0	0	0	0	0	0	0.00823	0.0423	0	0	0	0.0316	0.0455836662757671	0.0361734731399507	1.44160979112499		0	
C31519229	1,4-Dihydroxy-2-naphthoic acid	0	0.0324	0	0	0	4.76e-05	0	0	0.000147	0	0	0	0	0	0	0	0	0	0.00395	0	0	0.027	0	0	0	0.0806	0.217418716098775	0.100535469176422	0.997680690980006		0	
C3164850	Potassium 2-ethylhexanoate	0.00456	0	0	5.33e-06	0	1.69e-06	0	0	0	0	0	0	0	0	0	0	0	0.0259	0	0	0	0.0757	0	0	0	0	0.183681319327922	0.0501529018584862	1.29970393353753		0.032	
C3194556	1,2,5,6,9,10-Hexabromocyclododecane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.515381311967929	0.403424984626943	0.394237208875836		NA	
C319857	beta-Hexachlorocyclohexane	0.082	0	0	0	0	0	9.36e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0492	0	0	0.0135	0	0	0.666739322793967	0.628470198263838	0.201715311512519		0	
C32388559	1-Cedr-8-en-9-ylethanone	0.0562	0	0	0	0	0.0634	0	0	0	0	0	0	0	0	2.35e-05	0	0	0.000347	0	0	0.00478	0.000442	0	0	0	0	0.113368519033608	0.0503219590812364	1.29824245974067		0	
C3268493	3-(Methylthio)propanal	0	0	0	1.84e-06	0	0	0	0	0	0	0	0	0	0	0	0.0613	0	0	0	0	0	0	0	0	0	0	0.149094075380132	0.122614606253794	0.91145779215378		NA	
C32809168	Procymidone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0240845380602689	0.0126641139363566	1.89742519087246		NA	
C328847	1,2-Dichloro-4-(trifluoromethyl)benzene	0	0	0	0.000833	0	0	0	0	0	0	0	0	0	0.106	0	0	0	0	0	0	0	0	0	0	0	0	0.820048885437208	0.432226559373617	0.364288550189914		0	
C3296900	2,2-Bis(bromomethyl)-1,3-propanediol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.631723135909677	0.138486706181425	0.858591914030201		0	
C330198919	Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.272404382924983	0.0468647610510686	1.3291535929654		0	
C330541	Diuron	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.265520659677937	0.175469477948314	0.755798416015402		0	
C330552	Linuron	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.218663608053427	0.142189468770149	0.84713256833467		0	
C33089611	Amitraz	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.234799984786344	0.117494145219239	0.929983773922695		NA	
C331623064	MK-547	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00656437443775031	0.00292468877988702	2.53392034098994		NA	
C3319311	Tris(2-ethylhexyl) trimellitate	0.115	0	6.35e-07	3.05e-05	0	0.0291	0	0.000316	0	0	0	0.0331	0	0	0.000194	0	1.77e-05	5.85e-05	0	0	0.00152	0.00308	0	0.00172	0	0	0.0536508352278595	0.0287625839742725	1.54117210036989		0	
C33228443	4-Pentylaniline	0.0138	0.00901	0	0.00473	0	0.0204	0	0	1.7e-05	0	0	0	0	0	0.000686	0	0	0	0	0	0.01	2.7e-07	0	0	0.0178	0	0.0155988316336158	0.0205504565138131	1.68717852613692		0.0357	
C33228454	4-Hexylaniline	0.00955	0.0357	0	0	0	0.0282	0	0	0.000329	0	0	0	0	0	0	0.00277	0	0	0	0	5.37e-08	0.00174	0	0	0.0268	0	0.0149426489822736	0.0239321619469391	1.6210180669856		0.00901	
C333415	Diazinon	0.0237	0	0	0.000771	0	0.135	0	0	0	0	0	0	0	0	0	0	0.00165	0	0	0	5.22e-05	0.0341	0	0	0	0	0.174501076864807	0.069871453093957	1.1557002247702		0	
C3337711	Asulam	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.232777078501315	0.0942048838767823	1.02592658143477		NA	
C334485	Decanoic acid	0.000102	0	0	0	0	0.122	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0135	9.34e-08	0	0	0.000912	0	0.147723180166214	0.0308628252408788	1.51056432032207		0.017	
C335671	PFOA	0	0	0	0	0	0.0726	0	0	0.000304	0	0	0	0	0	0	0	0	0	0	0	0.00222	0	0	0	0.0799	0	0.4357773665659	0.233131330515254	0.63239935772975		0.0209	
C335762	PFDA	1.42e-05	0	0	0	0	0.0294	0	0	0.000946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.121	0	0.4357773665659	0.233131330515254	0.63239935772975		0.0209	
C33629479	Butralin	0.0426	0	0	0	4.38e-08	0	7.79e-06	0	0	0	0	0	0	0	0	0	0	0	0.00345	0	0.00418	0	0	0.0126	0	0	0.0575100029533238	0.0381393465840569	1.41862675170347		0.0372	
C33703081	Hexanedioic acid, diisononyl ester	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.295975834952752	0.0559163178089273	1.25246143540109		0	
C3380345	Triclosan	0	0	0	0	0	0	0	0	0.0553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00291	0	0.335227941150402	0.18504990595831	0.732711131275693		0	
C33820530	Isopropalin	0.0122	0.0372	0	0.0175	0.0131	0	0	0	0	0	0	0	0.000869	0	0	0.0013	3.45e-06	0.0261	0.00516	0.00424	0	0	0	0	0	0	0.00742559592398801	0.00601895040218511	2.22047923536703		0.0823	
C3383968	Temephos	0.00268	0.0264	0.00024	0	0	0	0	0	0.0303	0	0.133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.156246106276391	0.0775284962658817	1.11053863947643		0	
C3391864	1-Octen-3-ol	0	0	0	0.0206	0	0	0	0	0	0	0	0	0	0	0	0.0104	0	0.0309	0	0	0	0	0	0	0	0	0.199972602595686	0.0702372011140779	1.1534328029808		0	
C33956499	Codlelure	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.206981330826027	0.0722753493752166	1.14100980029567		0	
C34014181	Tebuthiuron	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.375687578912224	0.0817848324637425	1.08732723163529		NA	
C34256821	Acetochlor	0	2.67e-07	0	0	0	0	0	0	0.00145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.127	0	0.00662809954859251	0.00218005515558984	2.66153251856728		0.00908	
C34451199	Butyl (2S)-2-hydroxypropanoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.117141716120163	0.0387527943300923	1.41169697655417		0	
C344930956	SSR69071	0.000101	0	0	0	0	0.0016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.157	0	0	0	0	0	0.0106011226500112	0.00381332244963991	2.418696469791		NA	
C3452979	3,5,5-Trimethyl-1-hexanol	0	0	0	0.0174	0	0	0	0	0	0	0	0	0	0	0	0.0477	0	0.00785	0	0	0	0	0	0	0	0	0.273519846682189	0.0883970793999029	1.05356208364597		0	
C34590948	Propanol, 1(or 2)-(2-methoxymethylethoxy)-	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.202528477718528	0.061658019037097	1.21001043249757		0	
C349495427	PharmaGSID_47263	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	-1	0		NA	
C35256850	Butam	0.0822	0	0	0	0	0.0204	0	0.0181	0	0	0	0	0	0	0	0	7.13e-05	0.00013	0	0	0.0102	0.00237	0	6.83e-05	0	0	0.0173211906725255	0.00435136341534558	2.36137464396808		NA	
C353280076	CP-612372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0448272306766185	0.0229103709784586	1.63996787839711		0	
C35367385	Diflubenzuron	0	0	0	0	0	3.34e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0276	0	0	0	0	0.322045084516864	0.262919609351044	0.580177021670887		NA	
C35400432	Sulprofos	0.0115	0	0	0	0	0.101	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00468	0.00487	0	0	0	0	0.00844265110728355	0.00454282508501656	2.34267398475142		0.0264	
C3547339	2-Hydroxyethyl octyl sulfide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0615530988965657	0.0150577829548805	1.82223896713539		NA	
C35554440	Imazalil	8.32e-06	7.36e-06	0	0	0	0	0	0	0.00137	0	0	0	0	0	0	0	0	0	0	0	0	0.0247	0	0	0	0.0893	0.114597037539507	0.0684461445922759	1.16465100961116		0.0666	
C35575963	Azamethiphos	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.109111105638494	0.064868802045051	1.18796412226444		0	
C35691657	1,2-Dibromo-2,4-dicyanobutane	0	4.51e-05	0	0.0739	0	0	0	0	0	0	0	0	0	0	0	0.00141	0	0.00993	0	0	0	0	0	0	0	0	0.108787264522021	0.0593983952371187	1.22622528816828		NA	
C361343193	Elzasonan	0	0.0129	0	0	1.25e-06	0	0	0	0.0128	0	0	0	0	0	0	0	0	0	0.00589	0	0	0	0	0	0.0126	0	0.00867676870136794	0.00468711326968099	2.32909455110897		NA	
C361377299	Fluoxastrobin	0	1.6e-07	0	0	0	0	0	0	0.101	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.137	0.110357412047157	0.0742262382643765	1.12944254864064		NA	
C3622842	N-Butylbenzenesulfonamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000194633397643802	9.39978107611425e-05	4.02688226113889		0	
C3653483	MCPA-sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0701070530332876	0.044950543403885	1.34726505374427		0	
C36631308	Triisodecyl trimellitate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.066870727185174	0.0318232273218066	1.49725577890131		0	
C36653824	1-Hexadecanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C36734197	Iprodione	0	0	0	0	0	0.000211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0727	0	0	0	0	0.143901601671626	0.0852975171968379	1.06906360990406		NA	
C3681718	(3Z)-3-Hexenyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.168047842358424	0.07333027311092	1.13471669751708		0	
C368832422	CP-728663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0403	0	0	0	0	0.04	0.00782063470983006	0.00183446721590559	2.73649004519368		NA	
C3691358	Chlorophacinone	0	0.0307	0	0	0	0	0	0	0.0469	0	0.000126	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0537	0	0.138427097574469	0.106608452027766	0.972208362631128		NA	
C3734336	Denatonium benzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0120442360007759	0.00364077532321249	2.43880612109345		0	
C3734676	C.I. Acid Red 1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0489393098509689	0.0343948427646174	1.46350667157897		0	
C3739386	3-Phenoxybenzoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.175313942613299	0.101009674370853	0.99563702894343		0	
C375859	Perfluoroheptanoic acid	0	0	0	0	0	1.03e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0212	0	0	0	0	0.448716810337954	0.260173514420508	0.58473691656183		0.0209	
C375951	PFNA	0.00751	0.0209	0.000533	0	0	0.0481	0	0	0	0	0	0.125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.44786116005617	0.234781469217297	0.629336183975799		0.00933	
C37764253	Dichlormid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0231154115849556	0.00567885522658166	2.24573920282528		NA	
C3811049	Potassium chlorate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.431029120316272	0.221495793312677	0.65463451756028		NA	
C3811732	Sodium (2-pyridylthio)-N-oxide	0	0.00872	0	0.0279	0	0	0	0	0	0	0	0	0	0.0235	0	0.0107	0	0.000314	0	0	0	0	0	0	0	0.0223	0.334508282588747	0.410773803276402	0.386397260924995		0.237	KNN hi AUC med
C3825261	PFOA, ammonium salt	0	0	0	0	0	0.0178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0159	0	0	0	0.0262	0	0.342681989909714	0.163239040621155	0.787175966301136		0.0209	
C3844459	FD&C Blue No. 1	0	0.000382	0	0	0	0	0	0	0.00292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.205	0.0126679894635952	0.00760729654402123	2.11876965395375		0	
C3855321	2,6,10-Trimethyl-2,6,10-triazaundecane	0.00669	0	0	0	0	0	1.93e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00283	0	0	0.0422	0	0	0.00399350939985727	0.000531295124324521	3.27466416957619		0	
C3871996	PFHS-K	0	0	0	0	0	1.36e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0372	0	0	0	0	0.52281432775247	0.399318951601442	0.398680077783083		0.00114	
C3913028	2-Butyloctan-1-ol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.258680598308046	0.0628261493687584	1.20185955749156		0.00695	
C39236469	Imidazolidinyl urea	0.00189	0	0	0	0	0.0379	0	0	0	0	0	0	0	0	0	0.000484	0	0	0	0	0.0508	0	0	0	0	0	0.264303817014634	0.130297322679688	0.885064507981842		0	
C3926623	Sodium chloroacetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.34703393783662	0.378239879297399	0.422232683725387		NA	
C39300453	Dinocap	0	0.0465	0	0	0	0	0	0	0.086	0	0	0	0	0	0	0	0	0	0	0	0	0.000805	0	0	0.00219	0.0107	0.00782313589410071	0.00317927031196086	2.49767254537802		NA	
C39515418	Fenpropathrin	0.0117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00541	0.00609	0	0.00487	0.00391	0	0.0612035048642129	0.0289959260403199	1.5376630166699		0	
C39905572	4-Hexyloxyaniline	0.00257	0.00293	0	0	0	0	0.000403	0	0	0	0	0	0	0	2.12e-05	0	0	0	0	0	0	0	0	0.0627	7.67e-05	0	0.0107512282396278	0.00923782093292462	2.03443046042639		0	
C402910274	UK-416244	0	0	0	0	0	0	0	0	0.0646	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00424	0	0.0254446947525831	0.0128073701882086	1.89254003731228		NA	
C40487421	Pendimethalin	0.0656	0.000214	0	0.00471	0	0	0	0	0	0	0	0	0	0	0.00013	2.53e-05	0.00853	0.00032	0.00487	0	0.0018	0.000179	0	0	0	0	0.0822683654583176	0.0449802222433734	1.34697840308375		0.0372	
C40649363	4-Propylcyclohexanone	5.9e-05	0	0	0	0	0.174	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0123	0	0	0	0	0.191343719689783	0.0735576708000919	1.13337203112894		0	
C4065456	Sulisobenzone	0	0	0	0	0	5.05e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0314	0	0	0	0	0.063021945808464	0.0293761421827972	1.53200523845493		0	
C4098719	Isophorone diisocyanate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0485617981797933	0.0349164073250196	1.45697044879201		NA	
C4107986	N,N-Diisopropylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.153805366967487	0.0722752917645532	1.14101014647184		0	
C41198087	Profenofos	0.0025	0.00658	0	0	0	0.0436	0	0	0	0	0	0	0	0	2.92e-05	0	0	0	0	0	0.0172	0.00436	0	0	0.00558	0	0.0137461902633816	0.0107270278255747	1.96952059282983		NA	
C4130421	2,6-Di-tert-butyl-4-ethylphenol	0	0	0	0	0	0.000346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0962	0	0	0	0	0	0.142743292839723	0.0683870949191383	1.16502584468611		0	
C41372081	Methyldopa sesquihydrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0122642010848621	0.00220071677306141	2.65743584650225		NA	
C41372207	Apomorphine hydrochloride hydrate	0.00617	0.0435	0.071	0	0	0	0	0	0	0	0	0.00323	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0093069350737136	0.00351413790823837	2.45418119912652		NA	
C41481667	4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]	0.0231	0.0449	0.0114	0	0	0.0361	0	0	0	0	0	0.00786	0	0	0	0	0	0	0	0	0.00939	0.00227	0	0	0	0	0.0939330058730597	0.0446717053912811	1.34996746754416		NA	
C4151502	Sulfluramid	0	0	0	0	0	0.0332	0	0	0.00104	0	0	0	0	0	0	0	0	0	0	0	0.0354	0	0	0	0.104	0	0.0483739329229002	0.0242429189158987	1.6154150910755		0.029	
C4180238	(E)-Anethole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.167948401417458	0.147083007144419	0.832437499466237		0.00199	
C420042	Cyanamide	0	0	0	0.00017	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0846	0	0	0	0	0	0	0	0	0.999833016471548	0.669629214021147	0.174165607566447		NA	
C42509808	Isazofos	6.95e-05	0	0	0	0	0.0781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0118	0.00497	0	0	0	0	0.478149871422722	0.100528893833521	0.997709096164263		NA	
C427510	Cyproterone acetate	0.000543	0	0	0	0	0	0	0.781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0506143605602919	0.0196115169487427	1.70748881240114		0.0202	
C42874033	Oxyfluorfen	0	0	0	0	0	0.0965	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00408	0.000221	0	0	0	0	0.0316751348537069	0.0197545468820694	1.70433292745425		NA	
C4291638	Cladribine	0.0207	0	0	0	0	1.62e-05	5.28e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0242	0	0.0814	0	0	0.202155034323735	0.100625166712726	0.997293387097547		0	
C43121433	Triadimefon	0.0039	0	0	0	0	0.124	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0206	0	0	0	0	0	0.0412483761183949	0.0212205736861536	1.67324287937139		0	
C43222486	Difenzoquat metilsulfate	0.000101	0	0	0	0	0	0	0.201	1.7e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0309	0.381112075665818	0.261854832917542	0.581939406142672		NA	
C4342363	Tributyltin benzoate	0	0.18	1.49e-05	0	0	0.000316	0	0	0.0481	0	0.00931	0	0	0	0	0	0	0	0	0	0	0	0	0	1.19e-07	0.00506	0.0302089289403721	0.0211129929104564	1.6754501981294	EAS low AUC hi	0	KNN low AUC hi
C4344552	4-Butyloxyaniline	0.00848	0	0	1.03e-05	0	0	3.55e-07	0	0	0	0	0	0	0	0	0	0	0.0261	0	0	0.00395	0	0	0.027	0	0	0.0158064173645383	0.011444140773807	1.94141680859907		0.00293	
C4376185	Monomethyl phthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.286813514659082	0.157730293542655	0.802084888440684		0	
C4376209	Mono(2-ethylhexyl) phthalate	0	0	0	0	0	2.63e-05	0	0	8.54e-05	0	0	0	0	0	0	0	0	0	0	0	0	0.0114	0	0	0.0654	0	0.0647886564456245	0.0425296322057721	1.37130837302767		0	
C439687691	Nelivaptan	0	0	0	0	0	8.88e-05	0	0	0.000385	0	0	0	0	0	0	0	0	0	0	0	0	0.0558	0	0	0.067	0	0.0136411873102177	0.00459003713278568	2.33818380106433		NA	
C4418262	Sodium dehydroacetate	0	0	0	0	0	0	0.000501	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0941	0	0	0.250763391641073	0.173368433797555	0.761029974192577		0	
C4437858	Butylene carbonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.485441559995784	0.220097821186282	0.657384256635469		0	
C444610917	PharmaGSID_47315	0	0.000279	0	0	0	0.00135	0	0	0.000818	0	0	0	0	0	0	0	0	0	0	0	0	0.181	0	0	0.141	0	0.00593058894487152	0.00119919952328006	2.92110855280561		NA	
C4449518	Cyclopamine	0	0	0	6.43e-06	0	0	0	0	0	0	0	0	0	0	0	0.0639	0	0	0	0	0	0	0	0	0	0	0.0145934785872979	0.0060043523839321	2.22153382777014		NA	
C445295045	CP-671305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0302203440860647	0.0111138180182426	1.95413671879053		NA	
C4455269	N-Methyldioctylamine	0.000107	0	0	0	0	0.103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0662	0	0	0	0	0	0.00227089180005383	0.000432052705261365	3.36446327122214		0.085	
C446720	Genistein	0.538	0	0.022	0	0	0.0284	0	0	0	0	0.0403	1.88e-05	0	0	0	0	0.000183	0	0	0	3.54e-07	0.00937	0	0.00286	0	0	0.188234579506144	0.0976342500724298	1.01039780520063		0	
C4468422	3-Phenylhexane	0	0	0	0	0	0.0859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000107	0.00868	0	0	0	0	0.0889214509191814	0.0803944755231455	1.09477379369242		0	
C446866	Azathioprine	0	0	0	0	0	0.0753	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00431	0.0137	0	0	0	0	0.553309136405573	0.226602703146698	0.644734913736997		NA	
C451401	1,2-Diphenylethanone	0.0227	0	0	0	0	0.0109	0	0	0	0	0	0	0	0	0.000398	0	0.000169	0	0	0	0.0261	3.34e-07	0	0.00169	0	0	0.300845875548304	0.245295682308994	0.610310096171443		0	
C4548532	FD&C Red 4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.115851045454975	0.0717524042671548	1.14416354208576		0.0473	
C4553622	2-Methylpentanedinitrile	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.238493985425832	0.147836027561839	0.830219715706974		NA	
C4574043	Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride	0.0071	0.0166	0	0	0	0	0	0.255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0011	0	0.0030145620226873	0.000457273651147652	3.33982382265356		0.085	
C460004	1-Bromo-4-fluorobenzene	0	0	0	0	0	0.0731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.92e-07	0.0199	0	0	0	0	0.61598123173733	0.360977516244424	0.442519847609771		NA	
C4602840	Farnesol	0.0162	0	0	4.35e-06	0	0.071	0	0	0	0	0	0	0	0	0	0	0	0.0292	0	0	0.00403	0	0	3.44e-05	0	0	0.146074732677386	0.0632305070267933	1.19907333569341		0	
C461023632	Aplaviroc hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0046298934038465	0.00101590092606297	2.99314864378651		NA	
C461585	Cyanoguanidine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.888100805338045	0.472216464791376	0.325858874429297		NA	
C463401	Linolenic acid	0.00166	0.00511	0	0	4.31e-07	0	0	0	0	0	0	0	0	0	0	0	0	0.0112	0.0309	0	0	0	0	0	0	0	0.163193145023923	0.0605329840554894	1.21800791642465		0.0336	
C4638486	5-Chlorosalicylanilide	0	0.0122	0	0	0	0	0	0	9.46e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0273	0.152701582230839	0.149195104508202	0.826245426997097		0	
C464493	D-Camphor	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.11024065564677	0.0447446112482326	1.34925926081906		0	
C4707475	Methyl 2,4-dihydroxy-3,6-dimethylbenzoate	0.00793	0	0	0.000224	0	0.0181	0	0	0	0	0	0	0	0	0.00192	0	0.0024	0	0	0	0.0519	0	0	0	0	0	0.12858689395992	0.0667860617336824	1.17531416542519		0	
C470826	1,8-Cineol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.195989136038654	0.0991925923842952	1.00352075936544		0	
C4712554	Diphenyl phosphite	0.142	0	6.57e-06	0	0	0	0	0.0207	0	0	0.027	0	0	0	0	0	0	0	0	0	0	0.0024	0	0.00347	0	0	0.368352514199214	0.199483077830346	0.700093939659492		0.0314	
C473289622	Ilepatril	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0126725546964604	0.00246441443197516	2.60828625657851		NA	
C474862	Equilin	0.822	0	0	0	0	0	0.00268	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0247362470059641	0.0151303813468828	1.82015012585918		0.00246	
C478149530	PHA-00543613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0194065487222358	0.00638033321071834	2.19515663980588		NA	
C478263988	AVE3295	0	0.00013	0	0	0	0	0	0	0.000168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0657	0	0.0813454545926615	0.0472686225790413	1.32542705297607		NA	
C480400	Chrysin	0.134	0	0	0	0	0.0345	0	0	0	0	0	0	0	0	0	0.000438	0	0	0	0	0.00399	0.0224	0	0.000234	0	0	0.194441319136709	0.1022667955314	0.990265352194927		0	
C480637	2,4,6-Trimethylbenzoic acid	0	0	0	0	0.0255	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00862	0	0	0	0	0	0	0	0.281898016419684	0.162836763991756	0.788247536816391		0	
C484173	9-Phenanthrol	0	0.0482	0	0	3.04e-07	0	0	0	0.0666	0	0	0	0	0	0	0	0	0	0.0286	0	0	0	0	0	0.00909	0	0.39108886555272	0.166099261206284	0.779632299244859		0	
C486566	Cotinine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0442986072049119	0.0201491928747663	1.69574234590281		NA	
C486668	Daidzein	0.44	0	0.00516	0	0	0.0149	0	4.94e-05	0	0	0.0504	0	0	0	0	0	0.000131	0	0	0	0.00699	2.19e-06	0	0.00124	0	0	0.187526169545676	0.100673143455101	0.99708637060694		0	
C487069	5,7-Dimethoxy-2H-chromen-2-one	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.159305299793791	0.0903765717966049	1.04394413653939		0	
C489010	2,6-Di-tert-butyl-4-methoxyphenol	0.00583	0	0	0.000536	0	8.25e-07	0	0	0	0	0	0	0.000156	0.0112	0	0	0	0	0	0	0.0416	0	0	0	0	0	0.174298590474005	0.106355888351531	0.97323846055406		0	
C4904614	1,5,9-Cyclododecatriene	0	0	0	0	0	0.000525	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0647	0	0	0	0	0	0.23646688492082	0.385923312297366	0.413498986403181		NA	
C491805	Biochanin A	0.356	0	0	0	0	0.0127	5.43e-05	0.00168	0	0	0.004	0	0	0	0	0	0	0	0	0	0.0498	0	0	0.00992	0	0	0.135045923686203	0.0689272941925484	1.16160876982019		0	
C493527	Methyl red	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0374	0	0.174476196092468	0.10933332842298	0.961247430512917		NA	
C4940118	2-Ethyl-3-hydroxy-4H-pyran-4-one	0	0	0	0	0	0.000785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.139	0	0	0	0	0.125147432660544	0.0760967639374407	1.11863381148166		0	
C49562289	Fenofibrate	2.09e-05	0	0	0	0	0.0744	0	0	0.0289	0	0	0	0	0	0	0	0	0	0	0	0.0164	2.76e-07	0	0	0	0	0.05208655080837	0.0343741047814736	1.46376860351888		NA	
C496468	Glycoluril	0.0207	0.0618	0	0.00263	0	0	0	0	0	0	0	0	0	0	0	0.00107	0.00119	0.0242	0	0	0	0	0	0	0	0	0.880703155813224	0.513131521727316	0.289771305766083		0	
C496720	3,4-Diaminotoluene	5.41e-05	0	0	0	0	0	0.00117	0	3.36e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.198	0.00845	0	0.705845899729643	0.354777154321708	0.450044354092463		0	
C499752	Isopropyl-o-cresol	0	0	0	0.0154	0	0	0	0	0	0	0	0	0	0	0.00938	0	0.0286	0	0	0	0	0	0	0	0	0	0.41902310940843	0.205859949937833	0.686428137174316		0	
C499832	2,6-Pyridinedicarboxylic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.204458208344517	0.106856449707072	0.971199259296307		0	
C500389	Nordihydroguaiaretic acid	0.0998	0.0158	0.041	0	0	0	0	0	0	0.0024	0.0241	0	0	0	0	0	0	0	0.000308	0	0	0.000114	0	0	0	0	0.0809970001041451	0.055120341522852	1.25868810022542		0	
C501027492	PD-0333941	0	0	0	0	0	0.00171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237	0	0	0.0342	0	0.019596392449893	0.00708730839464564	2.14951866908993		NA	
C50146	Ergocalciferol	0	0.0286	0.000143	0	0	0	0	0	0	0	0	0.253	0	0	0	0	0	0	0	0	0	0	0	0	0.018	0	0.103891537327326	0.0643437905531571	1.19149335798443		0	
C50215	Lactic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.416862638129947	0.369267687025231	0.432658693867071		NA	
C50226	Corticosterone	5.64e-05	0	0	0	0	0.00111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.189	0	0	0	0	0.0537119854247122	0.0294490451084717	1.53092878273919		0	
C50271	Estriol	0.786	0.0122	0	0.0177	0	0	0.00424	0	0	0	0.0458	0	0	0	0.00307	0.000614	0	0.0016	0	0.0179	0	0	0.00414	0	0	0	0.0403539436445031	0.0244426578927491	1.61185157071294		0.635	KNN hi AUC med
C50282	17beta-Estradiol	0.935	0.0153	0.0183	0	0.00642	0	0	0	0	0.00095	0.0261	0	0	0	0	0	0	0	0.000272	0	0	0.00196	0	0	0	0	0.0436625717016128	0.0247091400406206	1.60714236921193		0.635	KNN hi AUC med
C50293	p,p'-DDT	0.19	0	0	0	0	0.0369	0	0	0	0	0	0	0	0	0	0	0.00109	0	0	0	0.0276	2.6e-07	0	0.00414	0	0	0.783426268898968	0.396273288139248	0.402005201460181		0	
C50351	Thalidomide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0525417917336822	0.0149340852687625	1.82582137332065		NA	
C50419	Clomiphene citrate	0.0293	0.588	0	0.0175	0.0519	0	0	0	0	0	0	0	0	1.55e-05	0.0342	0	0	0.00501	0.0108	0.000263	0	0	0	0	0	0	0.0152971021919734	0.0037130628353496	2.4302677012412	EAS low AUC hi	0.546	
C50471448	Vinclozolin	0	0.000181	0	0	0	0	0	0	0.000865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.102	0	0.0242497573411619	0.00886566572508753	2.05228864755583		NA	
C50555	Reserpine	0	0	0	0	0	0	0	0	0.076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0766	0	0.0152847519833504	0.00601362748570626	2.22086347778403		NA	
C50594666	Acifluorfen	0	0	0	0	0	0	0	0	0.000355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0742	0	0.0660979865066154	0.0494531315543028	1.30580620207101		0	
C50657	Niclosamide	0	7.97e-05	0	0	0	0	0.0012	0	0.00634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.223	0	0.227	0.128270291998211	0.131150014230088	0.882231657951644		0.0122	
C50704	D-Glucitol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.577147589237348	0.191366402743446	0.718134306809423		0	
C50782	Aspirin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.114508922610002	0.062624753130526	1.20325397312888		0	
C50817	L-Ascorbic acid	0	0	0	0	0	0	0.000897	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.136	0	0	0.18144507452552	0.110305218560911	0.957403940519061		0	
C50892234	Pirinixic acid	0	0	0	0	0	0	0	0	0.00113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.124	0	0.129818482784833	0.0448732382113323	1.3480125891126		NA	
C510156	Chlorobenzilate	0	0	0	0	0	0.000258	0	0	0.000565	0	0	0	0	0	0	0	0	0	0	0	0	0.0954	0	0	0.0498	0	0.0785933902590732	0.0474004218648777	1.32421779307754		NA	
C51036	Piperonyl butoxide	0.00231	0	0	0	0	0.0818	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00922	0.0014	0	0	0	0	0.0211959869744063	0.0200565165005144	1.69774449484387		NA	
C51058	Procaine hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00824305630815787	0.00291982382761185	2.53464335163521		0	
C5116949	Monotridecyl phosphate	0	0.0199	0	0	0	0	0	0	0.00041	0	0	0.0127	0	0	0	0	0	0	0	0	0	0	0	0	0.109	0	0.105685497118052	0.0250098051755734	1.60188969137637		0	
C51218	5-Fluorouracil	0	0	0	0	0	0.0339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.08e-05	0	0	0	0	0.70314700121973	0.428589889904562	0.367958077835597		NA	
C51218452	Metolachlor	9.33e-05	0	0	0	0	0.128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00794	0.00656	0	0	0	0	0.00844651464400289	0.00239034941467173	2.62153861044426		0.00908	
C51229788	Chloroallyl methenamine chloride	0.00109	0.00343	0	9.18e-07	0	0	0	0	0	0	0	0	0	0	0	0.022	0	0	0	0.0426	0	0	0	0	0	0	0.0151911382505484	0.00561401546792338	2.25072639511723		NA	
C51235042	Hexazinone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.196000911888061	0.0961864639733095	1.01688604059544		NA	
C51241	Tiratricol	0.179	3.24e-07	1.57e-05	0	0	0.00773	0	0.000199	8.33e-05	0	0.0781	0	0	0	0	0	0	0	0	0	0.000207	0	0	0	0.00669	0	0.0619464282918954	0.0371650498177074	1.42986528071275		0.045	
C512425	Sodium methyl sulfate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.797925699246514	0.528758586136762	0.276742567358668		0	
C512561	Trimethyl phosphate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.71265647456682	0.704802714755699	0.151932431779395		NA	
C51285	2,4-Dinitrophenol	0	0	0	0	0	0	0	0.0203	0.00144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0743	0.244899580028834	0.134909814182219	0.869956455886678		0	
C51309	Isoproterenol hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0204324805753141	0.00790375217542197	2.10216668564387		NA	
C51338273	Diclofop-methyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.102537928266624	0.0522996882275025	1.28150090007114		0	
C5137553	Methyltrioctylammonium chloride	0.00331	0.0697	0.00181	0	0	0	0	0	0	0	0	0.239	0	0	0	0	0	0	0	0	0	0	0.00102	0	0	0.0146	0.0018523114566453	0.000264096730400411	3.57823697546044		0.085	
C5138181	Sulfosuccinic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.126319648321258	0.107660777721914	0.967942487244503		NA	
C5146667	2,6-Octadienenitrile, 3,7-dimethyl-	0	0	0	0	0	1.18e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0111	0	0	0	0	0.0954460752584859	0.063432978401198	1.19768489647204		NA	
C51525	6-Propyl-2-thiouracil	0.144	0	0	0	0	4e-05	0	0	0	0	0.000383	0	0	0	0	0	0	0	0	0	0	0.00699	0	0	0	0	0.224902289642049	0.101733414260341	0.992536379963633		0	
C5153253	2-Ethylhexylparaben	0.37	0.000486	1.72e-06	3.47e-05	0.00895	0	0	0.0163	0	0	0.0116	0	0	0	0.000325	0	0.00491	0	0.0156	0	0	0	0	0.000848	0	0	0.0375887067433968	0.0279613449960745	1.55344194199916		0	
C51580860	Sodium dichloro-s-triazinetrione dihydrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.821083918818183	0.540012359913985	0.267596299841828		0	
C51630581	Fenvalerate	0.00468	0	0	0	0	5e-05	8.71e-06	0	1.86e-05	0	0	0	0	0	0	0	0	0	0	0	0	0.0311	0	0.0965	0.00475	0	0.0590732002856961	0.0331487664216041	1.47953262853397		0	
C51632167	1-(Bromomethyl)-3-phenoxybenzene	0.0607	0	0	0.00258	0	0.0112	8.95e-06	0	0	0	0	0	0	0	0.000306	0	0	0	0	0	0	0.00189	0	0.0348	0	0	0.213630505374681	0.219211859277728	0.659135954386774		0	
C51707552	Thidiazuron	0	0	0	0	0	0	0	0	0.0408	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0445	0	0.499663417804608	0.318621244335284	0.496725270625304		NA	
C51796	Urethane	0.00138	0	0	0	0	0	2.76e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.73e-05	0	0.0858	0	0	0.46058024965671	0.371838891006294	0.429645188888705		NA	
C52017	Spironolactone	0.000278	6.82e-06	0	0	0	0	0	0.408	9.31e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.73e-06	0	0.0706697406703013	0.0295883830167727	1.52887876806279		0.0202	
C520183	Kaempferol	0.252	0	2.32e-06	0	0	0	0	0.00919	0	0	0.0443	0	0	0	0	0	0	0	0	0	8.85e-05	0	0	0	0	0	0.182078247086081	0.0923436606934724	1.0345929131132		0	
C520365	Apigenin	0.307	0	5.11e-06	0	0	0.000446	0	0.00586	0	0	0.0675	0	0	0	6.36e-05	0	0	0	0.000102	0	0.00307	0	0	0	0	0	0.19015694624959	0.0981045797599197	1.00831071822621		0	
C520456	Dehydroacetic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.283863634478	0.172046161447425	0.764355012556558		0	
C521186	5alpha-Dihydrotestosterone	0.4	0	0	0	0	0	1.71e-05	0.0395	0	0	0	0	0	0	0	0	0	0	0	0	0.00101	0	0	0.00573	0	0	0.0895165797713404	0.0590197165808603	1.22900288036069		0	
C5216251	4-Chlorobenzotrichloride	0	0	0	0	0	0	0.000934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.132	0	0	0.852510962843518	0.403952296619341	0.393669918399818		0	
C52225204	dl-alpha-Tocopheryl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0151696528445052	0.00931413578550502	2.03085743502411		NA	
C52315078	Cypermethrin	0.0138	0	0	0	0	0.115	1.26e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00303	0.0038	0	0.00859	0	0	0.0474360743035431	0.0237968946450024	1.62347971212545		0	
C5234684	Carboxin	0	0	0	0	0	0	0.000327	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.125	0	0	0.0294817067183243	0.00587132277551067	2.23126404366084		NA	
C52517	Bronopol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0360772773017426	0.0218376739424016	1.66079362273371		0	
C525791	Kinetin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.181379373419059	0.0984347573566332	1.00685152491353		NA	
C525826	Flavone	0.0423	0	0	0	0	0.0777	8.15e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00041	0	0	0.0377	0	0	0.264882504115856	0.17772822856228	0.750243587753559		0	
C52645531	Permethrin	0	0	0	0	0	0.0788	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00295	0.015	0	0	0	0	0.0444847098342127	0.0258033349650536	1.58832415979959		0	
C526750	2,3-Dimethylphenol	0	0	0	0	0	0.0681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0403	0	0	0	0	0	0.476779822699021	0.203233504568884	0.69200469378029		0	
C52686	Trichlorfon	0.0405	0.00361	0	0.00406	0	0	0	0	0	0	0	0	0	0	0	0.0174	8.79e-06	0.0122	0	0	0	0	0	0	0	0	0.774397945574818	0.400856490877698	0.397011079686541		NA	
C527606	2,4,6-Trimethylphenol	0	0	0	0	0	3.3e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0311	0	0	0	0	0	0.399271352897839	0.170246980115029	0.768920582974711		0	
C527680564	PHA-00568487	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0124633062236487	0.00357316283539698	2.44694719177322		NA	
C52806538	Hydroxyflutamide	0	0	0	0	0	0	0	0.0939	1.62e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0171	0.0438798047610047	0.00932093482597794	2.03054052869708		0	
C528290	1,2-Dinitrobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0342	0	0	0.598371596552692	0.371118399204352	0.430487513786926		0	
C52868	Haloperidol	0.00598	0	0	0	0	0.000586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.159	0	0	0	0	0.00438263134679566	0.000634799047999518	3.1973637332229		NA	
C52918635	Deltamethrin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0438448849406438	0.0171368630924012	1.76606867286447		0	
C53032	Prednisone	0.0991	0	0	0	0	2.59e-05	5.68e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0405	0	0.0187	0	0	0.0452051814015281	0.0239499769140107	1.62069490087667		0	
C53112280	Pyrimethanil	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.578891973830207	0.355791082516012	0.448804941194819		0	
C5315797	1-Hydroxypyrene	0.00941	0	0	0	0	0.0596	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00956	0.000298	0	6.59e-06	0	0	0.391159272401465	0.166481278773858	0.778634596886426		0.0482	
C53167	Estrone	0.807	0.00246	0	0	0.0535	0	0.00402	0	0	0	0	0	0	0	0	0	0	0	0	0.0178	0	0	0	0	0	0	0.0273584510126145	0.0160275894042961	1.79513179187776		0.0153	
C53190	o,p'-DDD	0.236	0	0	0	0.00379	0.0565	2.44e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0192	0.000765	0	0.00645	0	0	0.808783276581506	0.418461803825818	0.378344177204121		0	
C532025	Sodium 2-naphthalenesulfonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.545130652437024	0.292291643812682	0.534183600304267		0	
C53219219	7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.217324444751565	0.0839882529936362	1.07578145223333		0	
C532274	2-Chloroacetophenone	0.0137	0	0	0	0.0103	0.000989	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0227	0	0	0	0	0	0.263257524911786	0.249079832368881	0.603661435231408		0	
C532321	Sodium benzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.372954988828567	0.364858990690841	0.437874947590531		0	
C5329146	Sulfamic acid	0	0	0	0	0.000172	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0319	0	0	0	0	0	0	0	0.970623841997305	0.494243208539608	0.306059289670409		0	
C533233	2,4-D-ethyl ester	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0671937283487019	0.0411427889136827	1.385706272467		0	
C5333426	2-Octyl-1-dodecanol	0	0	0.000476	0	0	0	0	0	0	0	0	0.151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.264418557908806	0.0602136810694547	1.22030482206565		0.00695	
C533744	Dazomet	0	8.83e-05	0	0	0	0	0	0	0.000883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.147	0	0.0304698167990093	0.0045767823928852	2.33943973599215		NA	
C534134	N,N'-Dimethylthiourea	0	0	0	0	0	0.0438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0162	0	0	0	0	0	0.895633833060326	0.251503310489838	0.599456294035463		0	
C53430	Dehydroepiandrosterone	0.365	3.01e-07	0.00195	0	0	0	0.00334	0	0	0	0.000813	0.0339	0	0	0	0	0	0	0	0	0	0	0	0.0535	0	0	0.0761456525990891	0.0439585212277555	1.35695692574418		0	
C534521	2-Methyl-4,6-dinitrophenol	0	0.000304	0	0	0	0	0	0	0.0776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.042	0.20566618795679	0.117865095252633	0.928614788488862		0	
C5349519	4-(2-Methylbutan-2-yl)cyclohexanol	0.248	0	3.93e-05	0	0	0.008	0	0.00421	0	0.000386	0.00336	0	0	0	0	0	0	0	0	0	6.12e-08	0.0188	0	0	0	0	0.137494036311345	0.0539496477531032	1.26801138655814		0	
C53703	Dibenz(a,h)anthracene	0	0	0	0	0	0.000893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.295	0	0	0	0	0.82845605630773	0.348010869829038	0.458407191015931		0	
C53861	Indomethacin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0301701628806454	0.0172760355035997	1.76255591211461		NA	
C53894238	Triisononyl trimellitate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.066870727185174	0.0318232273218066	1.49725577890131		0	
C5392405	3,7-Dimethyl-2,6-octadienal	0	0	0	0	0	2.84e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0234	0	0	0	0	0.207013260201786	0.202694890083227	0.693157199687011		0	
C53939289	(Z)-11-Hexadecenal	0.0879	0	0	0	0	0.000484	0	0.0466	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0125	0	0	0	0	0.149678286668646	0.0392584035259783	1.40606736530544		0	
C5394365	5-Ethyl-5-methylhydantoin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.135265228083109	0.0756690436504458	1.12108175486498		0	
C540181	Pentyl butyrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.192547513460706	0.0381168100918066	1.41888345161958		0	
C5407987	Cyclobutyl phenyl ketone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.222766812862208	0.177657279540053	0.750416992512937		0	
C540885	tert-Butyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.381496990391278	0.337603901247352	0.471592543443278		NA	
C541026	Decamethylcyclopentasiloxane	0	0	0	0.0302	0	0	0	0	0	0	0	0	0	0.0165	0	0.00855	0	0.00221	0	0	0	0	0	0	0	0	0.591581322419442	0.590344267841545	0.228894649341108		0	
C54115	Nicotine	0	0	0	0	0	0.0637	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0134	0	0	0	0	0.0202344748392031	0.019495088581039	1.71007478714083		NA	
C541731	1,3-Dichlorobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.773246431951277	0.380622990595057	0.419504982767305		0.00507	
C542927	1,3-Cyclopentadiene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.470970880452973	0.573226840780071	0.241673482388856		NA	
C5437456	Benzyl bromoacetate	0.00188	0	0	0	0	0	0.000642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00213	0	0.109	0	0	0.161658981916347	0.141211850577185	0.850128855519921		0	
C544638	Tetradecanoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.147723180166214	0.0308628252408788	1.51056432032207		0.017	
C544763	Hexadecane	0	0	0	0	0	0	4e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0495	0	0	0.204243281804128	0.0741670602818926	1.12978893453349		0	
C54593838	Chlorethoxyfos	0.0203	0	0	3.04e-05	0	0.038	7.34e-06	0	0	0	0	0	0	0	0	0	0.00973	0	0	0	0.00375	0.00452	0	0.0205	0	0	0.268560500548109	0.169695657420752	0.770329271308344		NA	
C54626	4-Aminofolic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0466612764018998	0.016850014205545	1.7733997286569		0	
C54853	Isoniazid	0	0	0	0	0	0.000703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0815	0	0	0	0	0.361249806659646	0.220178492657319	0.65722510578402		0	
C548629	Gentian Violet	0	0.000394	0	0	0	0	0	0	0.238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0052	0	0.0713373457479286	0.0419468034353159	1.37730112907361		0	
C54965241	Tamoxifen citrate	0.027	0.546	0	0.0605	0	0	0	0	0	0	0	0	0	0	0.0107	0.00189	0.0232	0.000612	0.0595	0	0	0	0	0	0	0	0.0154085838984121	0.005460812097716	2.26274276694167	EAS low AUC hi	0.588	
C550447	N-Methylphthalimide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.170865125295766	0.0877011597076606	1.05699466374562		0.0032	
C55185	N-Nitrosodiethylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00998305330979359	0.00228884532120002	2.64038355569554		0	
C55219653	Triadimenol	0.0188	0	0	0.000331	0	0.0291	0	0	0	0	0	0	0	0	2.29e-05	0.000769	0	0.00032	0	0	0.00551	0.0171	0	0	0	0	0.0622523574282166	0.0375562729900599	1.42531751278938		0	
C552307	Trimellitic anhydride	0	0.000172	0	0	0.0635	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0359	0	0	0	0	0	0	0	0.240655559379566	0.1238262811301	0.907187170029498		0	
C55283686	Ethalfluralin	0.0346	0	0	0	1.27e-06	0.0358	0	0	0	0	0	0	0	0	0.00346	0	0	0	0.0468	0	0.00167	0.00343	0	0	0	0	0.00815811672143354	0.00501517043886798	2.29971430304195		0.0823	
C55285148	Carbosulfan	0.0115	0	0	0	0	0.0395	0	0	4e-05	0	0	0	0	0	0	0	0	0	0	0	0	0.032	0	0	0.0024	0	0.00437080624164441	0.00137766539634917	2.86085624989196		0	
C55290647	Dimethipin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0327084145834824	0.0226157180425378	1.64558961897438		NA	
C553264	4,4'-Bipyridine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.485747103971975	0.497827673136715	0.302920965588955		0	
C55335063	Triclopyr	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0521970795753892	0.0161782063464969	1.79106962963346		0	
C5536618	Sodium methacrylate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.292762410303695	0.573546512891095	0.241431356362842		NA	
C553708	Magnesium dibenzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.355868172145546	0.348917026482578	0.457277837295919		0	
C55389	Fenthion	0.00263	0	0	0	0	0.146	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0093	0.0053	0	0	0	0	0.170750208137974	0.0983402736576915	1.00726858750549		0.0264	
C55406536	3-Iodo-2-propynyl-N-butylcarbamate	0	0.0283	0	0	0	0	0	0	8.16e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0147	0.00895697186364372	0.0129925172089897	1.88630669926829		NA	
C55512339	Pyridate	0	0	0	0	0	0	0	0.0843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00365965954213402	0.00332747549282664	2.47788513446166		NA	
C55589623	Acesulfame potassium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.148549325926888	0.10506236933582	0.978552809340358		NA	
C556525	Glycidol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.96876988559965	0.386965599833024	0.412327640838267		NA	
C556616	Methyl isothiocyanate	0	0	0	0	0	0	2.7e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0423	0	0	0.781230051911453	0.189589493679244	0.722185733261426		NA	
C556672	Octamethylcyclotetrasiloxane	0	0	0	0	0	0.153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00564	0.0111	0	0	0	0	0.604747639523511	0.635142285105514	0.197128972796003		0	
C55814410	Mepronil	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0788324010527783	0.0468914217428374	1.32890659929979		0	
C55934935	Tripropylene glycol butyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.167965022972089	0.0541288839646732	1.26657092714837		0	
C55981	Busulfan	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0973293045194465	0.0518354720704141	1.28537294195069		NA	
C5598130	Chlorpyrifos-methyl	6.35e-05	0	0	0	0	0.0812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0263	0	0	0	0	0.255679905333577	0.245381709599974	0.610157812089215		0	
C5598152	Chlorpyrifos oxon	0	0.000174	0	0	0	0	1.56e-05	0	0.0717	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00904	0	0.152	0	0.0809379169166302	0.0566837945333103	1.24654108485862		0	
C56042	6-Methyl-2-thiouracil	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.539465423298611	0.377412084100918	0.42318419856873		0	
C563122	Ethion	0.0974	0	0	0.00249	0	0.0088	0	0	0	0	0	0	1.93e-05	0	0.00879	0	0.00129	0	0.00305	0	0.0105	0	0	0.000389	0	0	0.263453267212068	0.120689864550789	0.918329200113816		0	
C56375792	N,N-Dibutyl-N-methylbutan-1-aminium chloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00335256637024738	0.000287619626177075	3.54118148251172		0.085	
C56382	Parathion	0	0	0	0	0	0.115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00272	0.000731	0	0	0	0	0.0378652477224123	0.0240421896807225	1.61902598080623		0	
C56531	Diethylstilbestrol	0.943	0.00992	0	0	0.00428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00263	0	0	0	0	0	0	0.0999112163959978	0.0599801226209759	1.22199265072123		0.00196	
C56553	Benz(a)anthracene	0.0372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000506	0	0	0.0502	0	0	0.000368	0	0	0.821371546356467	0.3463016774901	0.460545404716986		0	
C56724	Coumaphos	0	0	0	0	0	0.000188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.123	0	0	0	0	0.0410456872450112	0.0250130065784351	1.60183410267393		NA	
C56815	Glycerol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.877657651957069	0.182660598140463	0.738355124544909		0	
C56951	Chlorhexidine diacetate	0.00201	0.132	0.0513	0	0	1.82e-07	0	0	0	0	0.00253	0	0	0	0	0	0	0	0	0	0	0.000695	0	0	0.00757	0	0.0704240923859396	0.0487755714364076	1.31179763387143	EAS low AUC hi	NA	
C5700492	1,2-Ethanediamine dihydriodide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.378495828185715	0.0928397397357835	1.03226608570289		NA	
C57067	Allyl isothiocyanate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.168649998398421	0.0587313678306781	1.23112988448995		NA	
C57090	Hexadecyltrimethylammonium bromide	0.000761	0.0837	0.000244	0	0	0	0	0	0	0	0	0.0892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00301697162969042	0.000497558611857651	3.30315575249209		0.0166	
C57103	Hexadecanoic acid	0.00386	0	0	0	0	1.1e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0237	0	0.0606	0	0	0.147723180166214	0.0308628252408788	1.51056432032207		0.017	
C57114	Octadecanoic acid	0.248	0	0	0	0	0.00059	0.000422	0.00404	0	0	0	0	0	0	0	0	0	0	0	0	0.002	0.000731	0	0.0445	0	0	0.147723180166214	0.0308628252408788	1.51056432032207		0.017	
C57136	Urea	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.968684938232925	0.887369998445869	0.05189525865943		0	
C57147	1,1-Dimethylhydrazine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.469115652386881	0.0464920300111912	1.33262149052565		NA	
C571584	1,4-Dimethylnaphthalene	0	0	0	0	0	0	0.000182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0718	0	0	0.782932887479943	0.284853287084581	0.545378764606605		0	
C57307	Phenobarbital sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0333810481038766	0.00795111290062332	2.09957207979977		NA	
C57410	5,5-Diphenylhydantoin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.259204787964503	0.105062486606598	0.978552324580459		NA	
C57501	Sucrose	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.463429498174739	0.219694731353212	0.658180358062028		0	
C57556	1,2-Propylene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.74481270503485	0.141883218320152	0.848068969038332		0	
C576261	2,6-Dimethylphenol	0	0	0	0	0	0.000185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.105	0	0	0	0	0	0.535728517981509	0.235889176110298	0.627291986470983		0	
C57636	17alpha-Ethinylestradiol	1	0	0	0	0	0	0.00294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0352302415551849	0.0202955906062742	1.69259830609522		0.0153	
C577117	Docusate sodium	0	0	0	0	0	0	0	0	0.000469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0572	0	0.0663977224382439	0.0206857994639904	1.68432768984751		0	
C57749	Chlordane	0.0191	0	0	0	0	0.152	0	0	0.0145	0	0	0	0	0	0	0	0.000117	0	0	0	0.00875	0.0145	0	0	0	0	0.434813787238821	0.203156372714146	0.692169549950025		0	
C57754855	Clopyralid-olamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0568356301756361	0.0214433373470615	1.66870762202877		0	
C57830	Progesterone	0.0507	0.000618	0	0	0	0	2.34e-05	0	0.0129	0	0.00496	0	0	0	0	0	0	0	0	0	0.0026	0.0111	0	0.00723	0	0	0.0861154341163038	0.0374974790958384	1.42599792831408		0	
C57837191	Metalaxyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0165891599582286	0.00229864942816797	2.63852725884019		NA	
C57852	Testosterone propionate	0.392	0	0	0	0	0.123	5.42e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000235	0	0.000711	0	0	0.0792978477682426	0.0322535869957144	1.49142197945296		0.0202	
C57910	17alpha-Estradiol	1.06	0	0	0	0.0207	0	0	4.52e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0425662145652376	0.0243518593681189	1.61346787295101		0.635	KNN hi AUC low
C579668	2,6-Diethylaniline	0	0	0	0	0	0.00383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0129	0	0	0	0	0	0.382528143204003	0.169902436105344	0.769800394059009		0.0644	
C57966957	Cymoxanil	0	0	0	0	0	4.26e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0634	0	0	0	0	0.0957315716428507	0.0602460507808425	1.22007141647594		NA	
C57976	7,12-Dimethylbenz(a)anthracene	0.000165	0	0	0	0	0.2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0211	0.00146	0	0	0.0174	0	0.771227271380655	0.283192281691707	0.547918587367792		0	
C58082	Caffeine	0	0	0	0	0	0.000562	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0772	0	0	0	0	0	0.751170386775988	0.237400962798259	0.624517524062458		0	
C58140	Pyrimethamine	0	0	0	0	0	0.00105	0	0	0.00137	0	0	0	0	0	0	0	0	0	0	0	0	0.153	0	0	0	0.037	0.355750537664019	0.201315031660933	0.696123796280394		NA	
C58184	17-Methyltestosterone	0.495	0	0	0	0	0.0491	0	0.00123	0	0	0	0	0	0	0	0	0	0	0	0	0.00589	0.00717	0	0.000909	0	0	0.0727759122117566	0.039816267856946	1.39993945061439		0	
C583788	2,5-Dichlorophenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.567705850375714	0.200856062678134	0.697115054906065		0	
C58394642	Benzyloctyl adipate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0765458589428632	0.030768126715342	1.51189894450509		0	
C584134	4-Amino-1,2,4-triazole	7.51e-09	0	0	0	0	0.0843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0319	0	0	0	0	0.982595284571884	0.425279297281294	0.371325758351895		0	
C58430947	3,5,5-Trimethylhexyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.180325906134597	0.0532670805086615	1.27354110561284		0	
C584792	Allethrin	0	0	0	0	0	0.000439	0	0	0.0633	0	0	0	0	0	0	0	0	0	0	0	0	0.0282	0	0	0	0.0165	0.136576524621126	0.0602137188827819	1.22030454933504		0	
C584849	Toluene-2,4-diisocyanate	0	0	0	0	0	8.31e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0512	0	0	0	0	0.505359671171501	0.301050444199118	0.521360727656025		0	
C5850862	C.I. Acid Orange 8, monosodium salt	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.110690086362998	0.0666099422437974	1.17646094291139		0.0473	
C585342	3-tert-Butylphenol	0.0248	0	0	0.0264	0	0.0377	0	0	0	0	0	0	0	0	0.000387	0	0	6.93e-05	0	0	0.0302	0.0203	0	0	0	0	0.310714546262061	0.152665955548866	0.816257799654151		0	
C58559	Theophylline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.764983485349718	0.250810116544268	0.600654950015395		0	
C58560	Pyridoxine hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0884042263637581	0.0680287632518609	1.16730742434701		0	
C586629	Terpinolene	0.00827	0	0	0	0	0.0832	9.54e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00465	0.00634	0	0.0111	0	0	0.232321397917014	0.145646309222491	0.836700516217331		0	
C5870939	Heptyl butanoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.225094122114271	0.0316485538027543	1.49964613050708		0	
C58720	Triphenylethylene	0.383	0	0	0	0	0.00554	0	0.000512	0	0	0	0	0	0	0	0	0	0	0	0	0	0.053	0	0.000346	0	0	0.688569855446194	0.369678620700854	0.432175664872184		0	
C587655	2-Chloro-N-phenylacetamide	0	0.00669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00407	0	0	0	0	0.00906	0	0.129735815909998	0.0669508282424888	1.17424404600197		NA	
C587859	Diphenylmercury(II)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.464402103167965	0.272509664955069	0.564618090223231		NA	
C58846778	Decyl beta-D-glucopyranoside	0.000123	0	0	0	0	0	0	0.249	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0894253828181794	0.0438780985187262	1.35775220107722		0	
C58855	Biotin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0760745746432562	0.0641822682324114	1.1925849387922		NA	
C58866	D-Xylose	0	0	0	0	0	7.57e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0154	0	0	0	0	0.564866985829913	0.257530164745815	0.589171894329992		0	
C58899	Lindane	0.00306	0	0	0	0	0.117	0	0	0	0	0	0	0	0	0	0	0.0021	0	0	0	0.00215	0.00249	0	0	0	0	0.666739322793967	0.628470198263838	0.201715311512519		0	
C58935	Hydrochlorothiazide	0	0	0	0	0	0.000551	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.119	0	0	0	0	0.248351758501424	0.111955445066143	0.950954779220526		NA	
C589684	Tetradecanoic acid, 2,3-dihydroxypropyl ester	0	0	0	1.32e-05	0	0	0	0	0	0	0	0	0.0873	0	0	0	0	0	0	0	0	0	0	0	0	0	0.219528465880195	0.0567496804398038	1.24603657966119		0	
C5902512	Terbacil	0	0	0	0	0	2e-04	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0705	0	0	0	0	0.446198011002627	0.184106452487319	0.734930990254649		0	
C59052	Methotrexate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0238064236422072	0.00685994735471695	2.16367921718591		0	
C5915413	Terbuthylazine	0.057	0	0	0	0	3.41e-07	0.0506	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0118	0	0	0.063	0	0	0.356838558827347	0.0912666419837502	1.03968792837592		0	
C59227893	Laurocapram	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00521742248375991	0.00243330176378269	2.61380402908027		0	
C59303	Folic acid	0	0	0	0	0	0	0.000593	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0885	0	0	0.0464349195242612	0.0154236447620563	1.81181298601226		0	
C59405	Sulfaquinoxaline	0	0	0	0	0	0	3.4e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0486	0	0	0.440978070400285	0.226356866504477	0.645206326705404		NA	
C594207	2,2-Dichloropropane	0	0	0	0	0	0.0233	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00773	0	0	0	0	0	0.362589114081745	0.651587025297065	0.186027572150499		NA	
C59507	4-Chloro-3-methylphenol	0.0285	1.91e-07	0	0.00312	0	0.0206	0	0	0	0	0	0	0	0	0.00138	0.00124	0.0139	0.00102	0	0	0.0126	0	0	0	0	0	0.480728836504784	0.216959303614508	0.663621721788241		0.00838	
C59669260	Thiodicarb	0	0	0	0	5.03e-08	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0205	0	0	0	0	0	0	0.122543271985013	0.0596948870676848	1.2240628650747		0	
C59676	Nicotinic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.241607719953026	0.143048575645664	0.844516462167059		0	
C59756604	Fluridone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.191602760914329	0.2169659703916	0.663608376889123		NA	
C598550	Methyl carbamate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.760839224938389	0.694860553896551	0.158102341812141		NA	
C59870	Nitrofurazone	0	0	0	0	0	8.49e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0145	0	0	0	0.0292	0.264121593509617	0.182733012369958	0.738182986336751		0	
C599644	4-Cumylphenol	0.376	6.62e-08	0.000633	0	0	0.0315	0	2.31e-06	0	0.000957	0.0157	0	0	0	0	4.16e-05	6.5e-05	0	0	0	0.0263	0	0	0.00122	0	0	0.180114705933762	0.0845087848225157	1.07309814310193		0	
C599791	Sulfasalazine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.126469064975033	0.0874845781241556	1.05806849813058		NA	
C60093	4-Aminoazobenzene	0.0658	0	0	0	0	0	0.00043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.12	0	0	0.609965324085694	0.288933247414057	0.539202481216805		0.0158	
C60128	2-Phenylethanol	0	0	0	0.000293	0	0	0	0	0	0	0	0	0	0	0	0	0	0.123	0	0	0	0	0	0	0	0	0.34832761915452	0.289584856743941	0.538224152435171		0	
C60168889	Fenarimol	0.105	0.000907	0	0	0	0.0105	0.00018	0	0	0	0	0	0	0	0	0	0.000112	0	0	0	0.0222	0.00102	0	0.0127	0	0	0.332761686217188	0.312735112761373	0.504823355014151		NA	
C602017	2,3-Dinitrotoluene	6.13e-05	0	0	0	0	0.000941	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.136	0	0	0	0	0.548048455163109	0.260527001028312	0.58414725973521		0	
C60207901	Propiconazole	4.37e-05	0	0	0	0	0	0	0	0.0332	0	0	0	0	0	0	0	0	0	0	0	0	0.0815	0	0	0	0.00083	0.0253673401225603	0.0205774915720338	1.68660756751435		0.00822	
C60333	Linoleic acid	0	0.0336	0.0239	0	0	0	0	0	0	0	0.03	0.000367	0	0	0	0	0	0	0	0	0	0	0	0	0.0118	0	0.112628689799293	0.0298270807710567	1.52538924972411		0.017	
C603350	Triphenylphosphine	0.0652	0.00198	0	0.000883	0	0.0104	0	0	0	0	0	0	0	0	0.00291	0	0.00259	0	0.000509	0	0.0466	0	0	0	0	0	0.592912469153488	0.303354200271651	0.518049987394824		0	
C60355	Acetamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.645180727095771	0.652090137296715	0.185692368340317		0	
C604751	Oxazepam	0.00109	0	0	0	0	0.267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00469	0	0	0	0	0	0.116189325224039	0.0562854892406652	1.24960355461541		NA	
C60515	Dimethoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0365689402195306	0.040903164573156	1.38824309044027		NA	
C605458	Diisopropyl phthalate	0.00932	0	0	0	0	0.0754	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0258	0	0	0	0	0	0.262357346512938	0.180219715422602	0.744197700421972		0.0375	
C60548	Tetracycline	0	0	0	0	0	0.0547	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.024	0	0	0	0	0.0122398589413271	0.00259903485429499	2.58518789636413		0	
C6055192	Cyclophosphamide monohydrate	0.135	0	0	0	0	0.0348	0.000321	0.0246	0	0	0	0	0	0	0	0	0	0	0	0	0.000117	0.0311	0	0.0144	0	0	0.00232389254847172	0.00192915686079963	2.7146324581985		NA	
C60560	Methimazole	0	0	0	0	0	0	0.00102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.274	0	0	0.703423749902046	0.464961893328006	0.332582638928375		NA	
C60571	Dieldrin	0.0181	0	0	0	0	0.149	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00442	0.0749	0	0	0	0	0.152664858337229	0.0972122820731377	1.01227886162087		0	
C606202	2,6-Dinitrotoluene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.544382838718215	0.258585742084408	0.587395424949719		0	
C6088513	6-Hydroxy-2-naphthyl disulfide	0.25	0	0	0	0	0.00976	0	0.0562	0	0	0	0	0	0	0	0	2.84e-05	0	0	0	0	0.000275	0	0	0	0	0.273237128552512	0.112111064956469	0.950351521995671		0	
C609541	2,5-Dimethylbenzenesulfonic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.526713988427827	0.322420823426239	0.491576917217233		0.0365	
C611201	Benzonitrile, 2-hydroxy-	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.476747899490682	0.189959617299381	0.721338714037032		0	
C611701	Isopropyl phenyl ketone	0.00034	0	0	0	0	0.391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0121	0.00537	0	0	0	0	0.347626317712618	0.297928930086413	0.525887323012367		0	
C612828	3,3'-Dimethylbenzidine dihydrochloride	0.143	0.000299	0.166	0	0	0	0	0	0	0.0147	0.0325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.564812855005711	0.267068185909414	0.573377843565677		0.0113	
C614459	tert-Butyl perbenzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.153234012339967	0.110716005065641	0.955789593129807		NA	
C6149037	Sodium 4-octylbenzenesulfonate	0	0	0	0	0	6.43e-05	0	0	0.00116	0	0	0	0	0	0	0	0	0	0	0	0	0.007	0	0	0.0985	0	0.00749690613705092	0.0091718619360768	2.03754249132231		0.0477	
C6152336	Sodium 2-phenylphenate tetrahydrate	0	0	0	0	0	0.068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0281	0	0	0	0	0.533013544496962	0.273777837665892	0.562601710946258		0	
C6153646	Oxytetracycline dihydrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0144167438387539	0.0030160330406338	2.52056390508133		0	
C616455	2-Pyrrolidinone	0	0	0	0	0	0	0.00109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.12	0	0	0.0858788975457264	0.0559776017363946	1.25198571206781		NA	
C61734	Methylene blue	0.00154	0.0591	0	0.0142	0.0113	0	0	0	0	0	0	0	7.97e-05	0	0	0.0423	0	0.00541	0	0	0	0	0	0	0	0.00108	0.173197355835451	0.104966941327251	0.978947457689785		NA	
C61791126	Cremophor(R) EL	0	0	0	0	0	0.000626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00718	0	0	0	0	0	-1	-1	0		NA	
C61825	Amitrole	0	0	0	0	0	0	2e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0537	0	0	0.995418056857356	0.622174298137707	0.20608793345155		0	
C618451	3-Isopropylphenol	0.00783	0	0	0.00425	0	0.0558	0	0	0	0	0	0	0	0	0.00285	0	0.0018	0.0104	0	0	0.00171	0.00471	0	0	0	0	0.438413309800856	0.230805513407879	0.636753821105478		0	
C6190654	Deethylatrazine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.869927261069946	0.475684866107292	0.322680665419797		0	
C620177	3-Ethylphenol	0	0	0	0	0	0	0.00142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0712	0	0	0.276917806483625	0.155379300155283	0.808606838991534		0	
C621647	N-Nitrosodipropylamine	0	0	0	0	0	0.000527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0873	0	0	0	0	0.00828546266689855	0.00223481541296299	2.65075834208112		0	
C62237	4-Nitrobenzoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.156137244247677	0.089757224424939	1.04693058562858		0	
C622979	4-Methylstyrene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.716663702753613	0.338001795909277	0.471080992173774		NA	
C62384	Phenylmercuric acetate	0	0.164	0	0	0	0	0	0	0.0296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0676	0	0.592977377552071	0.833381250063332	0.0791562747998273	EAS low AUC hi	NA	
C625558	Isopropyl formate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.763643285339622	0.71301744551518	0.146899844063579		0	
C62566	Thiourea	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.99137004020556	0.573760276476846	0.24126952284515		NA	
C6259763	Hexyl salicylate	0.0173	0	0	0	0	0.0338	1.23e-06	0	0	0	0	0	0	0	0.000113	0	0	0	0	0	0	0.024	0	0.0079	0	0	0.0258850993096122	0.0222097928189198	1.65345549269059		0	
C626437	3,5-Dichloroaniline	0	0	0	0	0	0	0.000709	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0643	0	0	0.719751937391675	0.404479678409886	0.393103293028594		0	
C62737	Dichlorvos	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.5434537770965	0.58811971103007	0.2305342648283		NA	
C62748	Sodium fluoroacetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.353502007928176	0.382283651904404	0.417614273886585		0	
C62759	N-Nitrosodimethylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50273489621512	0.0550312701814659	1.25939046308498		NA	
C627930	Dimethyl adipate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.333988873810915	0.101588446203873	0.993155682162629		0	
C6285058	Ethyl 4-chlorophenyl ketone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0307	0	0	0	0	0.136816307280314	0.110099920028941	0.958212996477861		NA	
C628637	Pentyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.169184513265051	0.0477512119805464	1.32101560104812		0	
C62924703	Flumetralin	0.224	0	0	0	2.09e-07	0.00417	2.78e-05	0.0396	0	0	0	0	0.000579	0	6.59e-06	0	0	0	0.000582	0	0.00218	0	0	0.00639	0	0	0.0343347372853712	0.0203356576677758	1.69174177767949		0.0823	
C629629	Pentadecane	0	0	0	0	0	9.87e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0475	0	0	0	0	0.204243281804128	0.0741670602818926	1.12978893453349		0	
C629765	1-Pentadecanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237733640184837	0.0362383068237923	1.44083210222763		0	
C630568	Hydroxyprogesterone caproate	0.0177	0.0202	0	0	0	0	0	0.284	0.0232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0579377779569046	0.0198727606306205	1.70174179854864		0	
C63058	4-Androstene-3,17-dione	0.183	0	0	0	0	0	1.5e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0956	0	0.023	0	0	0.0837016845302867	0.0368925092315103	1.43306180537665		0	
C6317186	Methylene bis(thiocyanate)	0	0	0	0	0	0	0	0	0.000602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0592	0.682097371584091	0.19151350119114	0.717800604013237		NA	
C63252	Carbaryl	0.00877	0	0	0.00205	0	0.0569	0	0	0	0	0	0	0	0	0	0	0.00114	0.0192	0	0	0.0108	5.6e-07	0	0	0	0	0.134325718961551	0.0629607621256823	1.20093002358141		NA	
C633965	C.I. Acid Orange 7	0	0	0	0	0	0.000248	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.081	0	0	0	0	0.124750276901045	0.0717151512957651	1.14438908102673		0.0473	
C63423	Lactose	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.508829046391376	0.235135269083621	0.628682224045657		0	
C6344678	3-Hydroxyfluorene	0.0945	0	0	0.00764	0	0.00798	0	0	0	0	0	0	0	0	1.2e-05	0.00012	0.00313	0	0	0	0	0.0101	0	1.97e-05	0	0	0.266549267671975	0.133672910810062	0.87395659481507		0	
C63449412	C8-18-Alkydimethylbenzyl ammonium chlorides	0.0312	0.029	2.37e-06	0	0	0	0	0	0	0	0	0.0678	0	0	0	0	0	0	0	0	0	0.0178	0	0	0	0	0.000512619001222483	8.07552594132812e-05	4.09282918342678		0.085	
C6359826	Acid Yellow 11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.110266056606904	0.0487336304341683	1.3121712344468		0	
C6359906	C.I. Acid Yellow 34, monosodium salt	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.127292051952281	0.0657697429437552	1.18197385554574		0	
C6359984	C.I. Acid Yellow 17, disodium salt	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.129722285829734	0.0652487208128509	1.18542799815621		0	
C63612500	Nilutamide	0	0	0	0	0	0	0	0	0.000564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.094	0.112873312684046	0.0480497374434386	1.31830898108966		NA	
C636215	2-Methylaniline hydrochloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.722538700432375	0.338997843847493	0.469803064062741		0	
C637070	Clofibrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0409565266636954	0.0256728799420076	1.59052541014561		NA	
C6381777	Sodium erythorbate (1:1)	0	0	0	0	0	0.147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.22e-05	0.0145	0	0	0	0	0.177945256222555	0.106356000193793	0.973238003856719		0	
C64108	Urea, phenyl-	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.500413361481426	0.352853676121362	0.452405353613421		0	
C6422862	Bis(2-ethylhexyl) terephthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0742380108273394	0.0421365508808332	1.37534101677555		0	
C64359815	4,5-Dichloro-2-octyl-3(2H)-isothiazolone	0.00534	0.0651	0.0484	0	0	0	0	0	0	0.0175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00521586621115921	0.00630306173410139	2.20044843924147		0	
C643798	1,2-Benzenedicarboxaldehyde	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0389	0	0.666459166746336	0.501412016810771	0.299805261977183		NA	
C644973	Phenyl phosphorus dichloride	0	0	0	0.000332	0	0	0	0	0	0	0	0	0.147	0	0	0	0	0	0	0	0	0	0	0	0	0	0.304982387119525	0.143540647567486	0.843025098828578		0.00198	
C645567	4-Propylphenol	0.0275	0	0	0.0369	0	0.0185	0	0	0	0	0	0	0	0	0.00164	0.000541	0.00182	0.000423	0	0	0.0322	0	0	0	0	0	0.099728289916353	0.0598566575210427	1.22288753842627		0.00992	
C645625	2-Ethyl-2-hexenal	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.142606698932241	0.111334151146062	0.953371597756146		0	
C6459945	C.I. Acid Red 114	0	0.0473	0	0	0	0	0	0	0.000398	0	0.00576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0152	0.0685789571023006	0.0359881017405101	1.44384106041471		0	
C64675	Diethyl sulfate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.267516188032502	0.175117787955208	0.756669737306471		NA	
C64700567	Triclopyr-butotyl	0	0	0	0	0	8.17e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0359	0	0	0	0	0.00484276370202239	0.00471930281398005	2.32612215526538		0	
C647427	3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol	0.007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0148	0	0	0.000257	0	0	0	0	0.531998746333342	0.149730270116014	0.824690391938701		0	
C6485401	R-(-)-Carvone	0.00195	0	0	0	0.000481	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0779	0	0	0	0	0	0	0	0.200540091537048	0.15779586548916	0.801904380206236		0	
C64868	Colchicine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0209758276840403	0.00711955026725137	2.14754743931537		NA	
C648917139	AVE2865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0385215746161963	0.0192768685983271	1.71496351301196		NA	
C65236	Pyridoxine	0	0	0	0	0	6.79e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0379	0	0	0	0	0.110026411310288	0.0753979000864539	1.1226407495356		0	
C65277421	Ketoconazole	0	0.015	0	0	0	0	0	0	0.0215	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00138	0	0	0.0626	0.0139867306078921	0.00637594577254078	2.19545538527356		NA	
C654055013	Morin hydrate	0.0898	0	6.52e-06	0	0	6.7e-06	0	0.00187	0	0	0.0302	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00128	0	0.194429113527315	0.0989079845037154	1.00476864787769		0	
C65452	Salicylamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.272260863143862	0.14577143542051	0.836327569671147		0	
C657841	Sodium 4-methylbenzenesulfonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.479235391635656	0.256213681387118	0.591397683364605		0.0365	
C65850	Benzoic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.363608506332463	0.259467066612139	0.585917758032422		0	
C6610293	N-Methylhydrazinecarbothioamide	0	0	0	0	0	0	0	0	0.000784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0746	0	0.886424491049178	0.177869425324096	0.749898698089234		0	
C66215278	Cyromazine	0	0	0	0	0	0.000998	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.094	0	0	0	0	0.807044897123934	0.375138182662819	0.425808729835336		NA	
C66230044	Esfenvalerate	0	0	0	0	0	0.00129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.15	0	0	0	0	0	0.0440676383301568	0.0239499719380576	1.62069499110762		0	
C6624733	Pentane-1,5-diyl dibenzoate	0	0	0	0.0383	0	0	0	0	0	0	0	0	0	0	0	0.00166	5.68e-06	0.0037	0	0	0	0	0	0	0	0	0.119075248526558	0.0807202429739517	1.0930175395104		0	
C6625463	C.I. Acid Violet 12, disodium salt	0	0	0	0	0	0.00512	0	0	0.000615	0	0	0	0	0	0	0	0	0	0	0	0	0.00249	0	0	0	0.105	0.034787167236131	0.0148828372151514	1.82731426842544		0.0157	
C66273	Methyl methanesulfonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.692701434409076	0.438550512490696	0.357980377138185		0	
C66332965	Flutolanil	0	0	0	0	0	0.000383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0871	0	0	0	0	0.0613716605939695	0.0344363198392078	1.46298326717553		0	
C66357355	Ranitidine	0	0	0	0	0	0	0.000961	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.108	0	0	0.00501746601462595	0.00120089067764859	2.92049652653129		NA	
C66441234	Fenoxaprop-ethyl	0	2.96e-07	0	0	0	0	0	0	0.00054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0295	0.14	0	0.0601351824628724	0.0356880577220359	1.44747708733589		0	
C66456539	Adipic acid, polypropyleneglycol, laurate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.224520673720354	0.0574358747541693	1.24081676019747		0	
C66575299	Forskolin	0.0528	0	0	0	0	0.0136	0	0.145	8.41e-05	0	0	0	0	0	0	0	0	0	0	0	0.000589	0.0292	0	0	0	0.00167	0.0590021715587768	0.0352538013897095	1.45279404651478		NA	
C66717	1,10-Phenanthroline	0	0.00028	0	0	0	0	0	0	0.159	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.001	0.00929	0.515867624981118	0.434733060225494	0.361777331680452		0	
C66819	Cycloheximide	0	0.146	0	0	0	0	0	0	0.00206	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0732	0.145113320615642	0.0984347082952867	1.00685174137241	EAS low AUC hi	NA	
C6683198	Irganox 1010	0.149	0	0	0	0	0	0	0.0457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0394893992165519	0.0289959080495955	1.53766328613102		NA	
C668981020	CP-863187	0	0.0245	6.71e-06	0	0	0	0	0	0.0188	0	0.0481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.54e-06	0.179326992505275	0.130802848829985	0.88338279716107		NA	
C6706598	L-Glucitol	7.22e-05	0	0	0	0	0.127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00267	0.00276	0	0	0	0	0.577147589237348	0.191366402743446	0.718134306809423		0	
C67209	Nitrofurantoin	1.37e-06	0	0	0	0	0.0108	0	0	0.00132	0	0	0	0	0	0	0	0	0	0	0	0	0.0122	0	0	0.067	0	0.0912587546033876	0.0585092182573397	1.23277570446648		0	
C6728263	(2E)-2-Hexenal	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.193914608317144	0.276048353333705	0.559014839142276		0	
C67301	Tetrac	0	0.045	0	0	0.0045	0	3.51e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0364	0.019	0	0.0639925812728931	0.0381020096192747	1.41905211766965		0	
C6734801	Metam-sodium hydrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.931079751083406	0.547893177051418	0.261304107828422		0	
C67485294	Hydramethylnon	0.2	0	0	0	0	0.0115	0	0	0.00165	0	0	0	0	0	0	0	0	0	0	0	6.78e-07	0.0277	0	0.00293	0	0	0.0396807039132654	0.0388442858493018	1.41067285862977		NA	
C67564914	(2R,6S)-Fenpropimorph	0	0	0	0	0	0.000622	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0717	0	0	0	0	0	0.00725021264248695	0.00198502209296792	2.70223465524814		NA	
C676116044	PD 0343701	0	0.0799	0	0	0	0	0	0	0.0517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0389	0	0.0109467572005098	0.00474312132054714	2.32393576673115		NA	
C67685	Dimethyl sulfoxide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.750686114842239	0.463339034981066	0.334101110194533		NA	
C67747095	Prochloraz	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0125766185573175	0.0062977112672437	2.20081725445166		NA	
C67786145	Acid Red 337	0	0	0	0	0	5.5e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0694	0	0	0	0	0.174162137244993	0.126641595851423	0.897423625426969		0	
C678397	1,1,2,2-Tetrahydroperfluoro-1-decanol	0.0146	0	0	0	0	6.3e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0629	0	0	0	0	0.531998746333342	0.149730270116014	0.824690391938701		0	
C6789884	Hexyl benzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0759463803643951	0.0428511262083262	1.36803775951361		0	
C68111	Thioglycolic acid	0	0	0	0	0	0.301	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00877	0	0	0	0	0.361915507727774	0.299534970540176	0.523552466676919		NA	
C68122	N,N-Dimethylformamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.521910632707512	0.141577124374587	0.849006913033669		NA	
C68157608	Forchlorfenuron	0	0	0	0	0	0	0	0	0.145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0241	0	0.482838482904005	0.329780305178864	0.481775284432991		NA	
C68169039	2-(Dihydrocyclopentadienyloxy)ethyl methacrylate	0	0	0	7.54e-07	0	0	0	0	0	0	0	0	0	0	0	0.0358	0	0	0	0	0	0	0	0	0	0	0.065529550126809	0.0334719353049557	1.47531917655873		NA	
C682019	Tetrapropyl orthosilicate	0	0	0	0.000395	0	0	0	0	0	0	0	0	0	0	0.11	0	0	0	0	0	0	0	0	0	0	0	0.125253798540628	0.0822385697494211	1.08492445130765		NA	
C68224	Norethindrone	0.524	0	0	0	0	0.0599	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0293	0	0	0	0	0.0725138957119064	0.0386157966280905	1.41323500141566		0	
C68268	Retinol	0.000138	0	0	0	0	0.226	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0131	0.00588	0	0	0	0	0.0836581018077769	0.0462809359962574	1.33459786636033		0	
C683181	Dibutyltin dichloride	0.000186	0.222	0	0	0	0.00568	0	0	0.00734	0	0	0	0	0	0	0	0	0	0	0	0	0.000331	0	0	0.263	0	0.141416434701656	0.190886826582817	0.719224041956247	EAS low AUC hi	0.114	
C68359375	Cyfluthrin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0440975200334219	0.0231778341937983	1.6349271482528		0	
C68392358	4-Hydroxytamoxifen	0.0118	0.686	0	0	0.0142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.123	0	0	0	0	0	0	0.0321616192131379	0.0266881997738686	1.57368072012943	EAS low AUC hi	0.447	
C6846500	2,2,4-Trimethyl-1,3-pentanediol diisobutyrate	0.0272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.126	0	0	0.325866019057522	0.115892252398776	0.935945596417134		NA	
C684935	N-Nitroso-N-methylurea	0.000967	0.00336	0	4.17e-06	0	0	0	0	0	0	0	0	0	0	0	0.00371	0	0	0	0.115	0	0	0	0	0	0	0.770415216074481	0.288223448985189	0.540270689203492		NA	
C68515480	DINP branched	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0836862647856983	0.0411668123628704	1.38545276008077		0	
C68515491	1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0836862647856983	0.0411668123628704	1.38545276008077		0	
C68515753	Hexanedioic acid, di-C7-9-branched and linear alkyl esters	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.244024752524177	0.0285130373460732	1.54495651708626		0	
C68555862	Acid Orange 156	0	0	0	0	0	0.000215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0904	0	0	0	0	0.0577850911535701	0.0342911880127874	1.46481746856075		0.0157	
C68609972	C12-14-Alkyl glycidyl ether	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.178799794781154	0.0501528447827688	1.29970442777978		0	
C68694111	Triflumizole	0	0	0	0	0	0.000622	0	0	0.0707	0	0	0	0	0	0	0	0	0	0	0	0	0.1	0	0	0	0	0.027598970804521	0.0226308388833931	1.64529934725269		NA	
C68917180	Cornmint oil	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0362	0	0	0	0	0	-1	-1	0		NA	
C6893023	3,5,3'-Triiodothyronine	0.135	0	0.0238	0	0	0.026	0	0.000878	0	0	0.00201	0.0516	0	0	0	0	0	0	0	0	0.00272	0	0	0	0	0	0.0211450513337423	0.0058396230688878	2.2336151844604		NA	
C68959206	Disiquonium chloride 	0.0121	0.0019	0	4.03e-06	0.0453	0	0	0	0	0	0	0	0	0	0	0.0306	0	0	0	0.00468	0	0	0	0	0	0	0.000504372465502397	0.000154570465021474	3.81087348650815		0.085	
C68962	17alpha-Hydroxyprogesterone	0.343	0	0	0	0	0.000348	0	0.0157	0	0	0.0018	0	0	0	0	0	0	0	0	0	0	0.0233	0	0	0	0	0.0604388984869245	0.0307681068276531	1.51189922522144		0	
C69090	Chlorpromazine hydrochloride	0	0	0	0	0	0	0	0	0.0325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0368	0	0.00784847824527529	0.00284295823343051	2.54622952058529		NA	
C6915157	Malic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.226298430925023	0.169764815025842	0.770152315408464		0	
C6923224	Monocrotophos	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.11091816560756	0.0536815028367994	1.27017533440775		0	
C692864	Ethyl undec-10-enoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.213681670951053	0.0519803099843764	1.28416113491383		0	
C69327760	Buprofezin	0	0.00796	0	9.23e-07	0	0	0	0	0.0509	0	0	0	0	0	0	0	0.0388	0	0	0	0	0	0	0	0.00252	0.000313	0.103345962552499	0.0604025753806699	1.21894454399858		NA	
C69377817	Fluroxypyr	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0709194097177197	0.0262808017893289	1.58036138921236		0	
C695067	gamma-Caprolactone	0	0	0	0	0	0	0.000452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0775	0	0	0.398626598253231	0.122173043908381	0.913024605658473		0	
C69655056	2',3'-Dideoxyinosine	0	0	0	0	0	0	5.67e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0645	0	0	0.144955790741331	0.0447189877341948	1.34950803576629		0	
C69658	D-Mannitol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.577147589237348	0.191366402743446	0.718134306809423		0	
C69727	Salicylic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.297840713694012	0.128460469302965	0.891230495716628		0	
C69749	Cytarabine hydrochloride	0.0289	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0783	0	0.000455	0	0	0.162015996758183	0.0653180478501782	1.18496680342962		0	
C69806402	Haloxyfop-methyl	0	0.0317	0.000392	0	0	0	0	0	1.84e-05	0	0	0.117	0	0	0	0	0	0	0	0	0	0	0	0	0.00397	0	0.059267046103719	0.0267106623604726	1.57331534238179		0	
C69806504	Fluazifop-butyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00971167824840858	0.00621126697524086	2.20681980332858		0.0317	
C7011838	2(3H)-Furanone, 5-hexyldihydro-5-methyl-	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.156667525629394	0.0388901414225775	1.41016047755366		0	
C70553	4-Toluenesulfonamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.47057853600359	0.283837740973227	0.546929858326546		0	
C705602	(2-Nitro-1-propenyl)benzene	4.3e-05	0.0254	0	0	0.0496	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00404	0.000248	0	0	0	0	0	0	0.308820581843853	0.214807511448675	0.66795053617698		NA	
C70568604	4-Butylcyclohexanol	0	0	0	0	0	1.86e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.28e-06	0	0	0	0	0.134959986805344	0.0506048248606441	1.29580807386261		0	
C706149	gamma-Decanolactone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.331401496255359	0.062658292101174	1.20302144700849		0	
C7080504	Chloramine-T trihydrate	0	0	0	0	0	0	0.000372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0982	0	0	0.291688408022173	0.155054458725039	0.809515740733724		0	
C709988	Propanil	0	0	0	0	0	0	0	0	0.000359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0706	0.0907057562514592	0.050718301878847	1.29483529568216		NA	
C71238	1-Propanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.350942580375904	0.112266591464653	0.949749462805029		0	
C712505	Cyclohexylphenylketone	0.0191	0	0	0.000417	0	0.0458	0	0	0	0	0	0	0.000641	0	0.00279	0	0	0	0	0	0.00201	0.00261	0	0	0	0	0.148829270059307	0.114569090426341	0.940932534793805		0	
C71283802	Fenoxaprop-P-ethyl	0	0.000153	0	0	0	0	0	0	0.00174	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.237	0	0.0465481972823453	0.0280662695679182	1.55181530784051		0	
C71526073	MON-4660	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0137583563912598	0.00809468934201607	2.09179981394422		NA	
C7173515	Didecyldimethylammonium chloride	0.00313	0.085	0	0	0	0	0	0	0	0	0	0.0235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00175801750330798	0.000226723708544087	3.64450306323696		0.0697	
C71751412	Abamectin	0	0.000773	0	0	0	0	0	0	0.136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0645	0	0.0755517964419188	0.0486528433512902	1.31289177377813		0	
C717748	1,3,5-Triisopropylbenzene	0	0	0	0	0	0.0295	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00176	0.0112	0	0	0	0	0.793502839511645	0.407541683225819	0.389827965159206		0	
C7212444	Nerolidol	0	0	0	0	0	2.04e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0503	0	0	0	0	0.0642970589932416	0.0313015508812684	1.50443414416311		0	
C72178020	Fomesafen	0	0	0	0	0	1.13e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0727	0	0	0	0	0.080530961497979	0.0666100001253205	1.17646056552606		0	
C72208	Endrin	0	0	0	0	0	0.225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.87e-06	0.0305	0	0	0	0	0.152664858337229	0.0972122820731377	1.01227886162087		0	
C72333	Mestranol	0.742	0	0	0	0	0	0	0	0	0	0.0279	0	0	0	0	0	0	0	0	0	0	0.00155	0	0.17	0	0	0.0244340116487248	0.0145682471374863	1.83659269972713		0.0153	
C72435	Methoxychlor	0.254	0	1.84e-07	1.56e-05	0	0.032	3.88e-07	0	0	0	0.00379	0	0	0	0.000571	0	0.000377	0	0	0	0.0112	0.00225	0	0.00557	0	0	0.130348990451635	0.114148065389427	0.9425314446452		0.0413	
C72490018	Fenoxycarb	0	0.000102	0	0	0	0.0676	0	0	0.0552	0	0	0	0	0	0	0	0	0	0	0	0.0113	0	0	0	0.00983	0	0.0197282035650796	0.00913012352841136	2.03952334652435		NA	
C725228455	AVE5638	0.00507	0.00382	0	0	0	0.055	0	0	0	0	0	0	0	0	0	0.00451	0	0	0	0	0.00304	0.0743	0	0	0.0279	0	0.0136921930944589	0.0044052819518062	2.35602629015888		NA	
C72548	p,p'-DDD	0.0728	0	0	0	0	0.0157	4.33e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0124	4.86e-08	0	0.0083	0	0	0.80727124891111	0.393757262118409	0.404771423376647		0	
C72559	p,p'-DDE	0.0677	0	0	0.000688	0	0	0	0	0	0	0	0	0	0	0.00165	0	0.00258	0.000592	0	0	0.0115	2.36e-07	0	0	0	0	0.64237194778984	0.28856121369832	0.539762044028428		0	
C7287196	Prometryn	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.863853145069064	0.427735069229583	0.368825141259392		0	
C732116	Phosmet	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0649586162348951	0.0274294816233359	1.56178239984177		0	
C73223	l-Tryptophan	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.055901491750309	0.0118249631760816	1.92720020301717		NA	
C732263	2,4,6-Tris(tert-butyl)phenol	0	0	0	0.0135	0	0	0	0	0	0	0	0	0	0	0.0342	0	0.00687	0	0	0	0	0	0	0	0	0	0.203994702017198	0.0883099032341702	1.0539905911134		0.0164	
C73314	Melatonin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0235212420072042	0.00771099430416688	2.11288961767265		NA	
C7378996	N,N-Dimethyloctylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00372983422503922	0.000758768346365903	3.11989079492275		0.0166	
C7398698	Dimethyldiallylammonium chloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00612598488550923	0.000730791776787031	3.13620634817789		NA	
C74051802	Sethoxydim	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0139339441610498	0.00737109408431722	2.13246804544942		0	
C74115245	Clofentezine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.725993789335616	0.602887039285214	0.219764052388447		NA	
C741582	Bensulide	0	0.00571	0	4.69e-06	0	0	0	0	0.0367	0	0	0	0	0	0	0	0.0346	0	0	0	0	0	0	0	0	0.0265	0.025428824039499	0.00571503160652037	2.24298136343153		NA	
C742693385	SSR504734	0	0	0	0	0	0.000288	0	0	0.0324	0	0	0	0	0	0	0	0	0	0	0	0	0.0821	0	0	0.013	0	0.0354770149213806	0.0184368239172933	1.73431389206745		0.0171	
C744456	Diphenyl isophthalate	0.035	0	0	0	0	0.00251	1.64e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00014	0	0.107	0	0	0.144141255695823	0.103976935765764	0.983062985513989		0	
C7487947	Mercuric chloride	0	0.00686	0	0	1.32e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00999	0	0	0	0	0	0.0189	0	0.06494507438764	0.00695344908051791	2.15779972129859		NA	
C75330755	Lovastatin	7.55e-05	0	0	0	0	0.117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0218	0	0	0	0	0	0.0883802968886146	0.0527669881321966	1.27763769405288		0	
C753731	Dimethyltin dichloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.10560429389698	0.24718200281055	0.606983153181131		NA	
C7540514	(S)-(-)-beta-Citronellol	0	0	0	0	0	1.18e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0386	0	0	0	0	0	0.167877849180559	0.0624237491038429	1.20465015162366		0	
C754916	PFOSA	0.024	0.029	0	0	0	0.0425	0	0	1.98e-05	0	0	0	0	0	0	0	0	0	0	0	0.00302	0.000943	0	0	0.0257	0	0.673264476880152	0.499565821143696	0.301407282460553		0.00114	
C75503	Trimethylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.256639452641596	0.0223969557638701	1.64981100777296		NA	
C75605	Dimethylarsinic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.504358713982442	0.513140330902506	0.289763850088204		NA	
C75649	tert-Butylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.784407304779876	0.305998289793354	0.514281000758239		NA	
C756796	Dimethyl methylphosphonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	-1	0		NA	
C75865	2-Hydroxy-2-methylpropanenitrile	0.00499	0	0	0	0	0.0433	1.41e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00059	0.00631	0	0.0101	0	0	0.529482119009246	0.174976868628143	0.757019359834504		NA	
C75990	Dalapon	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.328670672736406	0.344495277002212	0.462816727851966		0	
C759944	EPTC	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000172748682504595	0.000380990709842421	3.41908561412323		0	
C760236	3,4-Dichloro-1-butene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.464101689258646	0.636675223957313	0.196082050258638		0	
C76039	Trichloroacetic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.496138898312107	0.570127302855424	0.244028160547307		0	
C762049	Diethyl phosphite	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.347857871071453	0.184396077893735	0.734248320631757		NA	
C7632000	Sodium nitrite	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.952729440558086	0.563603812579012	0.249026077705289		0	
C76448	Heptachlor	0	0	0	0	0	0.00109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.178	0	0	0	0	0.729911657607809	0.359958707661875	0.443747316074766		0	
C76493	Bornyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.111212109986822	0.0399801408864198	1.39815567980052		0	
C76578148	Quizalofop-ethyl	0	6.1e-05	0	0	0	0	0	0	0.00152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.224	0	0.0446069658116727	0.0232956710438752	1.63272477495799		0.0317	
C7659861	2-Ethylhexyl sulfanylacetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.171909846881662	0.0404277511539348	1.39332041618797		0	
C7664382	Phosphoric acid	0.0069	0	0	0.000214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0111	0	0	0.908823785420787	0.407215307559116	0.390175904876842		NA	
C76738620	Paclobutrazol	0	0	0	0	0	0.000781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0978	0	0	0	0	0	0.0612381143836089	0.0237511023208487	1.62431622937585		0.0316	
C7681767	Ronidazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.293532594019032	0.124560897855489	0.904618269962423		NA	
C7681825	Sodium iodide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.145709209990117	0.0381060533215068	1.41900602917193		NA	
C76879	Triphenyltin hydroxide	0	0.000198	0	0	0	0	0	0	0.321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0201	0	0.297491087221788	0.146368201036163	0.83455326490715		NA	
C7696120	Tetramethrin	0	0	0	0	0	0	0	0	0.00038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0746	0	0.0222583614074595	0.0132455888615157	1.87792872943002		NA	
C769926	4-tert-Butylaniline	0.00506	0	0	0	0	0.0198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0365	0	0	0.000618	0	0	0.395350499996745	0.195249071762181	0.709411022134508		0	
C770354	1-Phenoxy-2-propanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.102311035016744	0.0864501728333568	1.06323413413675		0	
C77065	Gibberellic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0680528668460013	0.0395598419055215	1.4027454526587		NA	
C77098	Phenolphthalein	0.276	2.61e-07	0	0	0	0.0014	0	0	0	1.05e-08	0.0131	0.00808	0	0	0	0	0	0	0	0	8.91e-07	0	0	0	0	0	0.138056151346743	0.0806970719646708	1.09314222305558		0.0354	
C77407	Bisphenol B	0.491	0.00196	0.0276	0.000784	0	0	2.31e-06	0	0	0	0.006	0.0251	0	0	0.00209	0.00233	0.00278	0	0	0	0.00384	0	0	0.0185	0.00135	0	0.0711573973285969	0.0397296503389394	1.40088525715801		0	
C7747355	5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0062372707844174	0.00466349500300961	2.33128848425258		NA	
C77474	Hexachlorocyclopentadiene	0.00973	0	0	0.00689	0	1.15e-06	0	0	0	0	0	0	0	0	0	0.00104	0	0.00208	0	0	0.12	0	0	0	0	0	0.394582238589444	0.219532874612515	0.65850043581475		NA	
C77485	1,3-Dibromo-5,5-dimethylhydantoin	0	0	0	0	0	0	0.000378	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0735	0	0	0.210619195022647	0.0592440699131117	1.2273551142276		0	
C77501634	Lactofen	0	0	0	0	0	0.0297	0	0	0.000221	0	0	0	0	0	0	0	0	0	0	0	0.000241	0.00825	0	0	0.0313	0	0.0411580571724208	0.0246491375031879	1.6081982724987		0	
C7757791	Potassium nitrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.894413302978506	0.114860089936841	0.939830847996881		0	
C77714	5,5-Dimethylhydantoin	0	0	0	0	0	0.0818	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0549	0	0	0	0	0.446238826704249	0.18966418081955	0.7220146803989		0	
C7773060	Ammonium sulfamate	0	6.25e-05	0	0	0.000204	0	0	0	0	0	0	0	0	0	0	0	0	0	0.187	0	0	0	0	0	0	0	0.969138343373795	0.223314132018746	0.651083792541832		0	
C77736	Dicyclopentadiene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.650171206525817	0.246238942756196	0.608643262181764		NA	
C7775271	Sodium persulfate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.650265658889372	0.173157962596326	0.761557532805627		NA	
C77781	Dimethyl sulfate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.715520474021405	0.540012432965665	0.267596241091433		0	
C7779273	1,3,5-Triethylhexahydro-s-triazine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00820563131408687	0.00152851752496237	2.81572957757851		NA	
C77838	Ethyl methylphenylglycidate	0.00327	0.0102	0	0.0156	0	0	0	0	0	0	0	0	0	0.00401	0	0.0294	0	0.00246	0	0.0253	0	0	0	0	0	0	0.087228803116404	0.057150253976023	1.2429818352575		0	
C7785264	(-)-alpha-Pinene	0	0	0	0	0.0334	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00444	0	0	0	0	0	0	0	0.340719928116118	0.101975377155201	0.991504679772873		0	
C77861	Tromethamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.246809770947124	0.0723501286928689	1.14056069204248		0	
C7786347	Mevinphos	0	0	0	0	0	0	0.000447	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0691	0	0	0.262073850807988	0.391454862250858	0.407318308205085		NA	
C77907	Acetyl tributyl citrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0585188819868023	0.0148419264744781	1.8285097241962		0	
C77929	Citric acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.104873304870403	0.101975503773708	0.991504140528142		0	
C77930	Triethyl citrate	6.04e-05	0	0	0	0	0	0	0.272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0916042579498629	0.0482677296833773	1.31634312813738		0	
C78079	Ethyltriethoxysilane	0	0	0	0.00112	0	0	0	0	0	0	0	0	0	0	0	0	0	0.178	0	0	0	0	0	0	0	0	0.211992399679471	0.118678476247538	0.925628038370821		0	
C78115	Pentaerythritol tetranitrate	0	0	0	0	0	0.0346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0121	0	0	0	0	0.273859498133677	0.171629314848193	0.765408531233966		NA	
C78400	Triethyl phosphate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.297005035683685	0.222037681545424	0.653573316096462		NA	
C78422	Tris(2-ethylhexyl) phosphate	0.00568	0	0	0	0	0.000304	0	0.0174	0	0	0	0	0	0	0	0	0	0	0	0	0	0.255	0	0	0	0	0.143759641862811	0.0550016397925735	1.25962436246484		0	
C78473719	Enterolactone	0.0866	0	0	0	0	0	9.04e-06	0.00417	0	0	0.000835	0	0	0	8.3e-05	0	0	0	0	0	0	0	0	0.00539	0	0	0.0657991066327211	0.0567186168851019	1.24627436820743		NA	
C78488	Tribufos	3.83e-05	0	0	0	0	0.085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0584	0	0	0	0	0.112154670449295	0.141883050460326	0.848069482845674		NA	
C78491028	Diazolidinyl urea	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.256799881686428	0.123057703765086	0.909891193030345		0	
C78513	Tris(2-butoxyethyl) phosphate	0.000118	0	0	0	0	0	0	0.239	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0914981319971004	0.0374227113560469	1.42686475012539		0	
C78587050	Hexythiazox	0	0	0	0	0	0.000507	0	0	0.0595	0	0	0	0	0	0	0	0	0	0	0	0.057	0	0	0	0	0	0.0360260413429833	0.0161013619103194	1.79313738824632		NA	
C78591	Isophorone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.178878252520956	0.097681045894556	1.01018969894235		0	
C78637	2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane	0.0159	0	0	0	3.34e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00596	0	0.00392	0.000548	0	0	0	0	0.147168445863986	0.0862785872617643	1.06409697471278		NA	
C78693	3,7-Dimethyl-3-octanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.179543830700587	0.054880656799377	1.26058069973137		0	
C78706	Linalool	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0964430236605908	0.044950388850153	1.34726654698425		0	
C78820	2-Methylpropanenitrile	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.898009919562669	0.696099843925995	0.157328463613277		NA	
C789026	o,p'-DDT	0.385	0	0	0	0.00148	0.00133	3.81e-08	0	0	0	0	0	0	0	0	0	0	0	0.0566	0	0.0108	0	0	0.00435	0	0	0.784671380512284	0.427521473731432	0.369042066458967		0	
C78966	1-Amino-2-propanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.176671976258079	0.0363031344949614	1.44005587537449		0	
C79061	Acrylamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.60317036184295	0.508254309293053	0.293918930458227		0	
C79098207	4-Chloropentylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0359054158451273	0.034023128209639	1.46822575827998		0	
C79141	Glycolic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.408013477577249	0.271426039104638	0.56634849088042		0.0225	
C79163	N-Methylacetamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.463488688358935	0.293602138683952	0.532240785216267		0	
C79241466	Fluazifop-P-butyl	0.0272	0	0	0	0	0	0	0.0579	0	0	0	0	0	0	0	0	0	0	1.8e-05	0	0	0	0	0	0	0	0.00775961601286202	0.00504288213474529	2.2973211823124		0.0317	
C79243	Nitroethane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.133830496684164	0.0475616923677306	1.32274270046019		NA	
C79277273	Thifensulfuron-methyl	0	0	0	0	0	0.000509	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0933	0	0	0	0	0.149822696195207	0.0846198933987644	1.07252752611365		0	
C79390	Methacrylamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.357015407053281	0.319009636662134	0.496196197551045		0	
C79436	Dichloroacetic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.601614632646458	0.652492227075167	0.185424657565881		0	
C79447	Dimethylcarbamoyl chloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.268292082752524	0.0439534848299164	1.35700668640579		NA	
C79538322	Tefluthrin	0	0	0	0	0	0.000677	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0759	0	0	0	0	0	0.0621016593744588	0.0335531331073183	1.47426692027327		0	
C79572	Oxytetracycline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0144167438387539	0.0030160330406338	2.52056390508133		0	
C79622596	Fluazinam	0	0.00891	0	0	0	0	3.98e-08	0	0.00667	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0117	0	0.0263	0	0.438815056639865	0.242539045143202	0.615218336545239		NA	
C797637	Norgestrel	0.394	0	0	0	0	0.0514	5.2e-05	0.0311	0	0	0	0	0	0	0	0	0	0	0	0	0.00373	0.00202	0	0.00741	0	0	0.0667844613004408	0.0351270079580734	1.45435884088939		0	
C79902639	Simvastatin	7.11e-05	0	0	0	0	0.000492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.198	0	0	0	0	0.0815627509033977	0.0456249877981056	1.34079723868267		0	
C79925	2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.222959709676036	0.0749730105342811	1.12509504974912		0	
C79947	3,3',5,5'-Tetrabromobisphenol A	0	3.81e-07	0	0	0	0.000607	0	0	2.47e-05	0	0	0	0	0	0	0	0	0	0	0	0.0252	0	0	0	0.0807	0	0.170257508037187	0.0842982873908953	1.07418124843859		0	
C79958	2,2',6,6'-Tetrachlorobisphenol A	0.19	0	0.0187	0	0	0.0381	0	0.00116	0	0	0.0193	0.011	0	0	0	0	0	0	0	0	0.00516	4.21e-07	0	0	0	0	0.178649808839087	0.0944796695724593	1.02466163426741		0	
C79983714	Hexaconazole	0.000168	0.00822	0	0	0	0.0774	0	0	0.0127	0	0	0	0	0	0	0	0	0	0	0	0.00119	0.0489	0	0	0	0	0.00454176411237234	0.00241666025338946	2.61678440066781		0.0316	
C8000348	Clove leaf oil	5.49e-05	0	0	0	0	0.000519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.143	0	0	0	0	0	-1	-1	0		NA	
C8000417	Terpineol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.227370206994864	0.0967450329283989	1.01437132323064		0	
C8001545	Benzalkonium chloride	0	0.0727	0.000515	0	0	0	0	0	0.0244	0	0	0.121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000512619001222483	8.07552594132812e-05	4.09282918342678		0.085	
C8004920	C.I. Acid Yellow 3 disodium salt	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.169083453936131	0.134437782261454	0.8714786604361		NA	
C80057	Bisphenol A	0.45	0	0.00511	0	0	0.00956	5.76e-08	0.000423	0	0	0.00145	0.00535	0	0	0.000204	1.07e-05	0	0	0	0	0.0337	0	0	0.00595	0	0	0.193304095061963	0.0891410363278921	1.04992232123853		0.00196	
C8006904	Peppermint oil	0.00851	0	0	0	0	4.85e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0165	0	0	0.0813	0	0	0.030631542998521	0.0186345647653851	1.72968074630692		NA	
C8007703	Anise oil	0.0384	0.00206	3.79e-06	0.0172	0	0	1.64e-06	0	0	0	0.0302	0	0	0	0	0	0	0	0	0	0	0	0	0.00948	0	0	-1	-1	0		NA	
C80079	4,4'-Dichlorodiphenyl sulfone	0	0	0	0	0	0	0	0	0.000474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.103	0.267723048048831	0.152152373527471	0.817721268400504		NA	
C80080	Dapsone	0.00158	0	0	0	0	0	3.28e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00114	0	0.0677	0	0	0.322505902589297	0.161233567038137	0.792544537829659		NA	
C80091	4,4'-Sulfonyldiphenol	0.263	0	1.9e-05	0	0	0	5.62e-05	0.000476	0	0	0.00969	0	0	0	0	0	0	0	0	0	0.00245	0	0	0.0351	0	0	0.161743191841406	0.0580020349742443	1.23655676915118		NA	
C80159	Cumene hydroperoxide	0	0	0	0	0	4.84e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0473	0	0	0	0	0	0.24445269523624	0.186069230375269	0.730325438707348		0	
C8018017	Mancozeb	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.110700583713237	0.02098583309537	1.67807378549274		0	
C80262	alpha-Terpinyl acetate	0.00943	0	0	0	0	0.0381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0162	0	0.00109	0	0	0.217331906721164	0.0847043443432294	1.07209431486519		0	
C80273	Terpinyl propionate	0	0	0	0	0	0.0332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0278	0	0	0	0	0	0.175458779994476	0.0623234823681928	1.20534828814941		0	
C80433	Dicumyl peroxide	0.216	0	0	0.000469	0.00265	0.0114	7.84e-05	0	0	0	0	0	0.000184	0	0.000415	0	0.0019	0	0.00403	0	0.0121	4.57e-08	0	0.00383	0	0	0.226013859443115	0.20169776369658	0.695298916956394		0	
C80466	4-(2-Methylbutan-2-yl)phenol	0.282	0.000192	0	0.00179	0	8.34e-06	0	0	0	0	0	0	0	0	0.00146	0	0.00911	0	0.0305	0	0.0185	0	0	3.04e-05	0	0	0.0700619851569405	0.0408379301125179	1.38893627842384		0.00196	
C80546	3-(4-tert-Butylphenyl)-2-methylpropanal	0.0022	0	0	0	0	0.098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0259	0	0	0	0	0	0.230664462690243	0.197283658219444	0.704908887576263		NA	
C80568	alpha-Pinene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.458491997686386	0.129778754360379	0.886796398593123		0	
C80844071	Etofenprox	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0436549151644925	0.0470784295934436	1.327178032453		NA	
C81072	Saccharin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.331440123875396	0.206325794104041	0.685446474708428		0	
C81131706	Pravastatin sodium	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0782205949964856	0.0472392353179647	1.32569714111517		0	
C81334341	Imazapyr	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.117222271952156	0.048431747927462	1.31486985675249		0	
C81335377	Imazaquin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.105248485316238	0.0466784344177703	1.33088371850339		0	
C81335775	Imazethapyr	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0780982964706411	0.0318426966032426	1.49699016108768		0	
C81405858	Imazmethabenz	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0779028895644603	0.0393741764029391	1.40478851732678		NA	
C81406373	Fluroxypyr-meptyl	0.00936	0	0	0	0	2.26e-06	6.4e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0074	0	0.114	0	0	0.0243494402531822	0.019780660406472	1.70375921293607		0	
C81741288	Tributyltetradecylphosphonium chloride	0.093	0.0244	0	0	0	0	0	0.246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.115226086630058	0.0453680651368975	1.3432497421862		0	
C81777891	Clomazone	0	0	0	0	0	0.053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00551	0.0106	0	0	0	0	0.005324198756952	0.00182172890177319	2.73951625152544		NA	
C81812	Warfarin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0492014780467512	0.0296319480788097	1.52823979596962		0	
C818611	2-Hydroxyethyl acrylate	0	0	0	0	0	0	0.0689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.063	0	0	0.307500040827798	0.193227117581288	0.713931924558821		NA	
C81889	Rhodamine B	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0345	0	0.0216787380739406	0.00790966282855405	2.10184202912172		0.158	KNN hi AUC low
C81903	Phenolphthalin	0.0459	0	0	0	0	0.0224	0	0	0	0	0.0783	0	0	0	0	0	0	0	0	0	0.00897	0	0	0	0	0	0.175753741188761	0.0810467267347291	1.09126452047927		0	
C822060	1,6-Diisocyanatohexane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.068732448827693	0.045468344592202	1.3422908572653		NA	
C82385420	Sodium saccharin hydrate	0.0257	0	0	0	0	0	1.28e-05	0.0685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000115	0	0	0.334981369153714	0.22163301797428	0.654365539720419		0	
C824395	Sodium 2-nitrophenolate	0	0	0	0	0	0.00046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0588	0	0	0	0	0.271451723065734	0.165125336136605	0.78218628530702		0	
C82469792	Butyryl trihexyl citrate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0775985818328494	0.0185354895314412	1.731995939551		0	
C824782	Sodium 4-nitrophenolate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.294998900638142	0.153051515629856	0.815162365338622		0	
C82558507	Isoxaben	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0385138691360572	0.0290680214359157	1.53658452821263		NA	
C82640048	Raloxifene hydrochloride	0.0243	0.671	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0252	0	0	0	0	0	0	0.0124457245743368	0.00647786624055814	2.18856802384471	EAS low AUC hi	NA	
C82657043	Bifenthrin	6.93e-05	0	0	0	0	0.062	0	0	0.000342	0	0	0	0	0	0	0	0	0	0	0	0.0143	0.00446	0	0	0	0.0148	0.0402777183287196	0.0190101428467791	1.72101461972925		0	
C826620	3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.358854176608545	0.166345459517359	0.778989048918801		NA	
C82688	Pentachloronitrobenzene	0.00362	0	0	0	0	0.0473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0401	0	0	0	0	0.489096171941585	0.249598151733788	0.602758634914248		0.0638	
C827190	Sodium 2,5-dimethylbenzenesulfonate	0.000157	0	0	0	0	0	0.771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.109	0	0	0.532998484674858	0.310790313390345	0.5075325256069		0.0365	
C827214	Benzenesulfonic acid, 2,4-dimethyl-, sodium salt	0.0123	0.0365	0	0.00559	0	0	0	0	0	0	0	0	0	0	0	0.00329	0.000154	0.0401	0	0	0	0	0	0	0	0	0.498002064094333	0.264034984782153	0.57833852505741		0	
C828002	Dimethoxane	0	0	0	0	0	6.9e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0336	0	0	0	0	0.425214220888521	0.270253944406536	0.568227958719733		NA	
C83329	Acenaphthene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.505705799050253	0.192332426502073	0.715947489221162		0	
C83410	1,2-Dimethyl-3-nitrobenzene	0	0	0	0	0	0.0327	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0161	0.0202	0	0	0	0	0.446410922294542	0.215529148576802	0.66649398670973		0	
C834128	Ametryn	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.595766192737918	0.206092786833855	0.68593720809014		0	
C83657243	Diniconazole	0	0.00761	0	0	0	0	0	0	0.0165	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00116	0.00296	0.129216887664518	0.0786006773088855	1.10457371159107		0	
C83670	Theobromine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.766162833071982	0.250810116731387	0.600654949691386		0	
C83794	Rotenone	0.000414	0.000154	0	0	0	0	0	0.739	0.0113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0292514108468099	0.0148248462936373	1.82900980077457		NA	
C83834597	2-Ethylhexyl trans-4-methoxycinnamate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.023051994016492	0.0166572922117894	1.77839559554961		0	
C83885	Riboflavin	0	0	0	0	0	0	0	0	0.000282	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0128	0.0747	0	0.0666099865381682	0.0165672486345417	1.7807496099905		NA	
C838857	Diphenyl phosphate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.382549235876232	0.178508871187675	0.748340196290604		0.0314	
C838880	4,4'-Methylenebis(2-methylaniline)	0.0458	0.0113	9.9e-06	0.000935	0	0	0	0	0	0	0.0208	0	0	0	0	0	0	0	0	0	0.0204	0	0	0	0	0	0.485129592873795	0.209522366250107	0.678769609831195		0.0644	
C84087014	Quinclorac	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.217311263229203	0.176173400256798	0.754059663425412		0	
C84162	meso-Hexestrol	0.993	0	0	0	0	0.0191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00243	0	0	0	0	0.0719831407029755	0.0469179152963595	1.32866129313369		0.00992	
C842079	C.I. Solvent Yellow 14	0.117	0	0	0	0	0.000829	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0225	5.31e-08	0	0	0	0	0.183817072541364	0.125008784268613	0.903059468389176		0	
C84371653	Mifepristone	0.00255	0.308	0	0.022	0	0	0	0	8.05e-06	0	0.00202	0	0	0	0.0028	0.0017	0.0197	0.0148	7.63e-06	0	0	0	0	0	0.00559	0	0.0251533538762274	0.00542150077603719	2.26588047572532	EAS low AUC hi	0	KNN low AUC hi
C84617	Dicyclohexyl phthalate	0.0199	0.0213	0	0.00322	0	0.00606	0	0	0	0	0	0	0.000179	0	0.000564	0	0	0	6.42e-05	0	0.0219	0	0	0	0.0101	0	0.172136840593062	0.111488807042533	0.952768731572493		0.0376	
C84662	Diethyl phthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.177277811991652	0.125345337115062	0.901891817293035		0.0375	
C84695	Diisobutyl phthalate	0.0283	0.0375	0	0.00239	0	0	0	0	0	0	0	0	0.000658	0	0.00669	0.000482	0.00468	0	0.0275	0	0	0.000435	0	0	0	0	0.186547217120512	0.104522506742309	0.980790183222385		0.00157	
C84742	Dibutyl phthalate	0.0265	0.0509	0	0.00573	0.0181	0	0	0	0	0	0	0	0.000479	0	0.00883	0.000499	0.00217	0.00144	0.00324	4.58e-05	0	0	0	0	0	0	0.0753630418469665	0.0448258237635689	1.34847172066851		0.0376	
C84753	Dihexyl phthalate	0.00964	0	0	0.00554	0	0.0482	0	0	0	0	0	0	0	0	0.00441	0	0.00268	0	0	0	0.0144	0	0	0	0	0	0.0649104250925123	0.0353173036609195	1.45201246052719		0.0509	
C84852153	4-Nonylphenol, branched	0.435	3.92e-07	0	0	0.0203	2.34e-05	0	0.0126	0	0	2.33e-05	0.00463	0	0	0	0	0	0	0.0247	0	0.00129	2.24e-05	0	0.00485	0	0	0.0658187805508524	0.0508039231717352	1.29410274940804		0	
C85018	Phenanthrene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0499	0	0	0	0	0	0	0	0	0	0	0	0.838485355817722	0.349017784765294	0.457152442299743		0	
C851916422	MK-812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0108984186310021	0.00328128402530685	2.48395617580573		NA	
C85264331	(3,5-Dimethyl-1H-pyrazol-1-yl)methanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.312026196322005	0.175750721811899	0.755102882647934		NA	
C85405	1,2,3,6-Tetrahydrophthalimide	0	0	0	1.14e-06	0	0	0	0	0	0	0	0	0	0.044	0	0	0	0	0	0	0	0	0	0	0	0	0.153312661369937	0.0973995813503848	1.01144290983194		0	
C85416	Phthalimide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.346423582803621	0.203079644212309	0.692333606133919		0	
C85507795	Phthalic acid, diundecyl ester, branched and linear	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0686748899358795	0.0360655459191824	1.44290748956863		0.0376	
C85509199	Flusilazole	0	0.000202	0	0	0	0.000128	0	0	0.0593	0	0	0	0	0	0	0	0	0	0	0	0.0374	0	0	0	0	0.00291	0.257270655320151	0.171998655724501	0.764474947358224		NA	
C85532758	PK 11195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0386497638805863	0.0238274467532084	1.62292249229059		NA	
C85687	Butyl benzyl phthalate	0.179	0	0	0.00106	0.009	0	1.89e-05	0.039	0	0	0	0	0.0013	0	0.00105	0.000742	0	0	0.00351	0	0.00089	0	0	0.00938	0	0	0.065946566162031	0.0375785580691664	1.42505988827537		0.0509	
C860220	C.I. Acid Blue 74	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.137606965923089	0.0791427711433742	1.10158874720613		NA	
C862243296	AVE9423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.130337570561011	0.101685228962758	0.992742129140887		0	
C86306	N-Nitrosodiphenylamine	0.0102	0	0	0	0	0.0671	0	0	0	0	0	0	0	0	7.87e-05	0	1.91e-05	0	0	0	0.0267	1.29e-08	0	0	0	0	0.376708425514111	0.212356148773043	0.672935159492976		0.0138	
C86386734	Fluconazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.060366654368413	0.0214852992746734	1.66785859253004		0.00822	
C864283487	GSK232420A	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0367948886852159	0.0139755595754382	1.85463079412778		NA	
C86479063	Hexaflumuron	1.42e-21	0	0	0	0	0	0.000856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.214	0	0	0.104281871739447	0.0685308753994479	1.16411372055789		0	
C86500	Azinphos-methyl	0	0	0	0	0	0.000583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0671	0	0	0	0	0.0105	0.199825311718437	0.126867923445239	0.896648168540897		NA	
C86737	Fluorene	0	0	0	0	0	0.0261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0223	0	0	0	0	0	0.706765102674191	0.282547522203544	0.548908496888633		0	
C86873	1-Naphthaleneacetic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.180278408506368	0.097259010365154	1.01207015380074		0	
C868859	Dimethyl hydrogen phosphite	0.0148	0.0437	0	0.015	0	0	0	0	0	0	0	0	0	3.33e-06	0	0.00848	0.00122	0.0249	0	0.0148	0	0	0	0	0	0	-1	-1	0		NA	
C87014	7-(Dimethylamino)-4-methylcoumarin	0	0	0	0	0	0	0.00182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.108	0	0	0	0.0627584422520667	0.0454425755424818	1.34253706215203		NA	
C87183	4-tert-Butylphenyl salicylate	0.0488	0	0	0	0	0.0204	7.34e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0142	0.000605	0	0.00423	0	0	0.060987873292247	0.0352114964115386	1.45331551797258		0	
C87241	Ethyl 2-methylbenzoate	0	2.85e-10	0	0.000584	0	0	0	0	0	0	0	0	0	0	0	0	0	0.115	0	0	0	0	0	0	0	0	0.186018713713537	0.146368635914035	0.834551974566909		0.00157	
C872504	N-Methyl-2-pyrrolidone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00607745522432423	0.00260121114276849	2.58482439427951		0	
C87252	Ethyl anthranilate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.159788997115642	0.123335200925782	0.908912954336823		0	
C87392129	S-Metolachlor	0	0	0	0	0	0.000509	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.138	0	0	0	0	0	0.0060324264228482	0.00182173500548843	2.73951479642122		0.00908	
C87546187	Flumiclorac-pentyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00602343632588423	0.0023440978370347	2.63002426586318		NA	
C87616	1,2,3-Trichlorobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.802445759953496	0.406168327526293	0.391293945325232		0.00507	
C87627	2,6-Dimethylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.747796137597171	0.36485899534821	0.437874942046829		0	
C87674688	Dimethenamid	0	0.000109	0	0	0	0	0	0	0.00251	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.158	0	0.00838450629018112	0.00197827389052161	2.70371358083409		0	
C87683	Hexachloro-1,3-butadiene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.380670278506738	0.539364192676843	0.268117888878762		NA	
C87694	L-Tartaric acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.276293157228186	0.239340421906989	0.620983947735714		0	
C877247	Monopotassium phthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.348068159959239	0.187092093185003	0.727944566100645		0	
C87818313	Cinmethylin	0.0107	0	0	0.000513	0	0.0979	0	0	0	0	0	0	0	0	0.00342	0	0.00185	0	0	0	0.0136	0.0022	0	0	0	0	0.052372927382734	0.0392122993011994	1.40657769112122		NA	
C87820880	Tralkoxydim	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0250366284159968	0.00697543880015642	2.15642846726691		NA	
C87865	Pentachlorophenol	0	0.000165	0	0	0	0	0	0	0.000428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0945	0	0.579353037358323	0.204854964661641	0.688553506453196		0	
C87901	Symclosene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.739059036466739	0.374931802055363	0.42604772076439		0	
C88040	4-Chloro-3,5-dimethylphenol	0.0439	0	0	0	0	0.00289	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.133	0	0	0	0	0	0.452099284327241	0.213226125868843	0.671159583765858		0	
C88062	2,4,6-Trichlorophenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0367	0	0	0	0	0	0.584892257840251	0.207960158719605	0.68201985977557		0	
C88120	N-Vinyl-2-pyrrolidone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.020366962819959	0.00704447906094557	2.15215111743352		0	
C88186	2-tert-Butylphenol	0.00325	0	0	0	0	0.000139	0	0	0	0	0	0	0	0	0	0	0.00169	0	0	0	0.143	0	0	0	0	0	0.359706862504015	0.158716687862755	0.799377408054927		0.0164	
C88244	2,2'-Methylenebis(ethyl-6-tert-butylphenol)	0	0.000115	0	0	0	0	0	0	0.108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0285	0	0.110959775701483	0.0563435978185158	1.24915542460548		0	
C88302	3-Trifluoromethyl-4-nitrophenol	0.00604	0.0311	0	0	0	0.0374	0	0	0	0	0.0299	0	0	0	0	0	0	0	0	0	0.00851	4.82e-07	0	0	0	0.00138	0.226555440456358	0.134361625577254	0.871724750476693		0	
C88415	2-tert-Butylcyclohexyl acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.176837848133138	0.0674584774544651	1.17096346511222		0	
C88584	2,5-Di-tert-butylbenzene-1,4-diol	0	3.43e-05	0	0	0	0	0	0	0.0885	0	0	0	0	0	0	0	0	0	0	0	0	0.00255	0	0	0	0.0159	0.307928896085099	0.140156726944081	0.853386053061855		0	
C88608	2-tert-Butyl-5-methylphenol	0.0402	0	0	0	0	0.0166	2.02e-05	0	0	0	0	0	0	0	1.72e-05	0	0	0	0	0	0.0107	0.00603	0	0.00693	0	0	0.306532813400392	0.142311966844306	0.846758579072909		0	
C88671890	Myclobutanil	0	0	0	0	0	0.0582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00147	0.0518	0	0	0	0	0.0031567720480651	0.00471927649208642	2.32612457754797		0	
C88697	2-Isopropylphenol	0	0	0	0	0	2.03e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0181	0	0	0	0	0	0.483690888371975	0.239340434411224	0.620983925046192		0	
C88722	2-Nitrotoluene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.545370113968428	0.253155836217228	0.596612056000938		0	
C88744	2-Nitroaniline	0	0	0	0	0	1.1e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0449	0	0	0	0	0.650570180964605	0.405851609685271	0.391632727198306		0	
C88755	2-Nitrophenol	0	4.99e-05	0.00211	0	0	0	0	0	0	0	0	0.22	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.2706092399909	0.129995221449115	0.886072611819499		0	
C88857	Dinoseb	0	0.000112	0	0	0	0.00053	0	0	0.162	0	0	0	0	0	0	0	0	0	0	0	0.125	0	0	0	0	0	0.0537000920510564	0.0313891655768334	1.5032202290656		0	
C89043	Trioctyl trimellitate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.049012428882147	0.0252527783702403	1.5976908328133		0	
C89714	Methyl 2-methylbenzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.288246012020733	0.210387115549004	0.676980860608174		0	
C89725	2-(Butan-2-yl)phenol	0	0	0	0	0	0.0255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0997	0	0	0	0	0	0.212245781224984	0.128574649964238	0.890844649342527		0	
C89781	dl-Menthol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.197723649227239	0.124560867835399	0.904618374630589		0	
C89838	Thymol	0.00465	0	0	0	0	2.69e-06	0	0	0	0	0	0	0	0	0	0	0.0151	0	0	0	0.0297	0	0	0	0	0	0.423359528883964	0.207648412440973	0.682671384904504		0	
C89872	1,3-Dimethyl-4-nitrobenzene	0.0121	0	0	0	0	0	8.21e-05	0.0504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00173	0	0	0.4218783923606	0.190995514317294	0.718976832386425		0	
C90006	2-Ethylphenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.326641685067125	0.160436043995784	0.794698055316564		0	
C90028	Salicylaldehyde	0.0288	0	0	0	0	1.15e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0147	0	0.000744	0	0	0.452244414345968	0.197057037268555	0.705408051068217		0	
C9003116	Pluronic F-127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.355255598214313	0.0719014985090446	1.14326205833162		0	
C90040	2-Anisidine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.210223637754432	0.12652834724743	0.897812164812617		0	
C9004824	Sodium lauryl polyoxyethylene ether sulfate	0.00534	0.0892	5.41e-05	0	0.0172	0	0	0	0	0	0.000972	9.61e-07	0	0	0	0	0	0	0	0.0115	0	0	0	0	0	0	0.0816525062569458	0.0243647080997912	1.61323878729559		0.0108	
C9004960	Polyoxyethylene monoleate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.16160240882198	0.0427767671903036	1.36879203987818		0	
C90051	2-Methoxyphenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.338051806993904	0.201008891181901	0.696784732102715		0.00199	
C9005656	Polysorbate 80	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.151718086551285	0.0598891940267081	1.22265153149934		0	
C90120	1-Methylnaphthalene	0	0	0	0	0	3.6e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0288	0	0	0	0	0.787524668667355	0.290423471661281	0.536968287417374		0	
C90153	1-Naphthol	0.0232	0	0	0.0139	0	0.0223	0	0	0	0	0	0	0	0	0	0	0.00216	0.00106	0	0	0.0154	7.82e-05	0	0	0	0	0.519617055290171	0.218809714140636	0.659933401241597		0.0482	
C9016006	Polydimethylsiloxane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.670114207693491	0.728846316695955	0.137364036630114		NA	
C9016879	Isocyanic acid, polymethylenepolyphenylene ester	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.336879843174872	0.175821093159046	0.754929024068509		0	
C90302	N-Phenyl-1-naphthylamine	0.0386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0255	0	0	0.00233	0	0	0.478072922804065	0.281168585282725	0.55103320427991		0	
C90357065	Bicalutamide	0.00307	0.107	0.0123	0	0	0	0	0	0	0	0	0.276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.026196002652193	0.00717110846093151	2.14441370887078	EAS low AUC hi	NA	
C90437	2-Phenylphenol	0.00543	0	0	8.01e-05	0	0.076	0	0	0	0	0	0	0	0	0.000397	0	0.000103	0	0	0	0.00219	0.00173	0	0	0	0	0.523233172152439	0.227259105280448	0.643478707473052		0	
C90722	2,4,6-Tris(dimethylaminomethyl)phenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0404497120673742	0.0232825051047779	1.63297029315231		0	
C90823384	Denatonium saccharide	0	4.01e-07	0	0.0186	0	0	0	0	0	0	0	0	0	0	0	0.0078	0	0.0752	0	0	0	0	0	0	0	0	0.0191737829675924	0.00768180303156228	2.1145368327348		0	
C90948	Michler's ketone	0	1.41e-07	0	0	0	0	0	0	0.000509	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.162	0	0.0979926394162172	0.0421176714442215	1.37553564762141		NA	
C91082176	C10-21 sulfonic acids phenyl esters	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00795150366471592	0.0090581048188357	2.04296265804271		NA	
C91203	Naphthalene	0	0	0	0	0	0.000507	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0653	0	0	0	0	0	0.872049274985799	0.382906966358013	0.416906732311696		0	
C91225	Quinoline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.513475170051032	0.47807045267546	0.320508097208928		0	
C91465086	lambda-Cyhalothrin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.038080391975671	0.0168727962650739	1.77281293745493		0	
C91532	Ethoxyquin	0.000107	0	0	0	0	0.0851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.083	0	0	0	0	0	0.0333512099436631	0.0207944997783301	1.68205152233554		NA	
C91598	2-Naphthylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.688783266808403	0.355689721519952	0.448928684579931		0	
C91623	6-Methylquinoline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.411227762734974	0.329189023539066	0.482554654309978		0	
C91645	Coumarin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.283617253589666	0.194573675592023	0.710915916988834		0	
C91667	N,N-Diethylaniline	0	0	0	0	0	0	7.62e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0402	0	0	0.0135426901708585	0.00622078702791373	2.20615466671474		0	
C919302	3-Aminopropyltriethoxysilane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0235411841463319	0.00978089509253163	2.00962139920428		NA	
C92046	2-Chloro-4-phenylphenol	0.138	0	0	0	0	0.00583	0	0.0169	0	0	0	0	0	0	0	0	0	0	0	0	0.000637	0.00252	0	0	0	0	0.360531348440209	0.174627204130453	0.757888099213328		0.018	
C924163	N-Nitrosodibutylamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00764316347707666	0.00167513161771252	2.77595106408946		0	
C92524	Biphenyl	0	0	0	0	0	0.0321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00155	0	0	0	0	0.803801591545411	0.377618968759799	0.422946198111264		0	
C92682	4-Cyclohexylcyclohexanone	0.0491	0	0	0	0	1.27e-05	0	0.0632	0	0	0	0	0	0	0	0	0	0	0	0	3.35e-05	0	0	0	0	0	0.281372625331865	0.159046392457929	0.798476177253778		0	
C92693	4-Phenylphenol	0.219	8.63e-08	2.68e-05	0	0	0.0095	0	0.000881	0	0	0.0507	0	0	0	0.000945	0	0	0	0	0	0	0.00636	0	0	0	0	0.377967232325885	0.168005409565462	0.774676734306244		0	
C92842	Phenothiazine	0.0122	0	0	0	0	0.0793	3.18e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00689	0.00434	0	0.00447	0	0	0.369055428463336	0.324083093815021	0.489343623871684		NA	
C92875	Benzidine	0.0183	0	0	0	0	0.0968	4.76e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0132	4.28e-05	0	0.0439	0	0	0.694181428406769	0.359551397049678	0.444239019440807		0.0158	
C928961	(Z)-3-Hexen-1-ol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.29354021082627	0.101491616666517	0.993569829532405		0	
C929601092	SR58611	0	0	0	0	0	0.000366	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0804	0	0	0	0	0	0.00780201445636717	0.00214857178697934	2.66785013131302		NA	
C930552	N-Nitrosopyrrolidine	0.00171	0	0	0.0131	0	0	0	0	0	0	0	0	0	0.0374	0	0	0	0.00155	0	0	0	3.27e-05	0	0	0	0	0.0072865342363661	0.00264088097824411	2.57825117155211		0	
C93083	2'-Acetonaphthone	0.00257	0	0	0	0	1.14e-05	0	0	0	0	0	0	0	0	0	0.000377	0	0	0	0	0.123	0	0	0	0	0	0.366652447578589	0.258497746355824	0.587543238835015		0	
C93152	Methyleugenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.122774229346683	0.106555834548769	0.972422765161789		0.00199	
C93561	Styrene glycol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.360742397447421	0.260526890745471	0.584147443575041		NA	
C93652	Mecoprop	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0910917845575308	0.0484317387274275	1.31486993925054		0	
C93765	2,4,5-Trichlorophenoxyacetic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0694618248754739	0.0354446558764681	1.45044923575084		0	
C938169	tert-Butyl phenyl ketone	0	0	0	0	0	0	0.000676	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0822	0	0	0.234259955861429	0.17596200610432	0.754581095370612		0	
C93890	Ethyl benzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.18753327309363	0.183382780819734	0.736641445907292		0	
C93925	Benzenemethanol, alpha-methyl-, acetate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.28446059338836	0.259379041769903	0.586065118504064		0	
C93992	Phenyl benzoate	0	0	0	1.74e-06	0	0	0	0	0	0	0	0	0	0	0.0532	0	0	0	0	0	0	0	0	0	0	0	0.173292098325672	0.128631878705533	0.890651387320062		0	
C94086	Ethyl 4-methylbenzoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17654006912588	0.149097142968873	0.826530678510392		0	
C94097	Benzocaine	0	9.69e-08	0	0	0	0	0	0	5.67e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0492	0.0111	0	0.119123789059716	0.0722594560754989	1.14110531185599		0	
C94133	Propylparaben	0.205	0	1.43e-05	0.00203	0	0.0147	0	0.00252	0	0	0.0161	0	0	0	0.000121	0.000286	0.00211	0.000668	0	0	0.0168	2.64e-08	0	0.000135	0	0	0.0528701295776431	0.0405462154298876	1.39204967646198		0	
C941695	1-Phenyl-1H-pyrrole-2,5-dione	0	0.0288	0	0	0	0	0	0	0.0106	0	0	0	0	0	0	0	0	0	0	0.00535	0	0	0	0	0.00819	0	0.116451925914716	0.0536800796548035	1.27018684839763		NA	
C94188	Benzylparaben	0.234	0.000859	0.0576	0	0	0	0	0	0	0	0.0466	2.36e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.123000066883118	0.0702596494516048	1.15329402137595		0	
C94268	Butylparaben	0.251	5.16e-07	0.0182	0	0	0.0107	0	0.00437	0	0	0.0101	0.0387	0	0	1.05e-05	0	9.52e-06	0	0	0	0.0107	0	0	0	0	0	0.0394840943765758	0.0294058136131149	1.53156679984304		0	
C94280	Triethylene glycol bis(2-ethylhexanoate)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.156092146385134	0.0378917754278117	1.4214550452809		0.032	
C94361065	Cyproconazole	0.0268	0	0	0.000337	0	0.0216	2.17e-06	0	0	0	0	0	0	0	0	0	0.00285	0.00111	0	0	0.0217	0	0	0.0163	0	0	0.0190413785610939	0.00533577393500784	2.27280257880261		0.0316	
C94462	Isopentyl benzoate	0.00166	0.00371	3.9e-05	0	0	0	0	0	0	0	0	0.00285	0	0	0.000329	0	0	0	0	0	0	0	0	0	0	0	0.113505577531379	0.0702595579658082	1.15329458687554		0	
C94473	2-Phenylethyl benzoate	0.00552	0	0	0	0	0	0.000247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.156	0	0	0.154313513486858	0.114043017790002	0.942931298972146		0	
C94597	Safrole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.116325302561934	0.126358951479761	0.898393986505758		0	
C94600	Dimethyl hexahydroterephthalate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.358204411188408	0.154665582481774	0.810606318499911		0	
C94713	2-Ethoxyphenol	0	0	0	0	0	9.35e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0325	0	0	0	0	0.137721105401981	0.124002559804135	0.906569349536667		0	
C94746	MCPA	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0605796488556998	0.0331487160880402	1.47953328797346		0	
C94757	2,4-Dichlorophenoxyacetic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0703101070922527	0.0348535649972831	1.45775279347807		0	
C94804	2,4-D 1-butyl ester 	0	0	0	0	0	0.000395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0944	0	0	0	0	0.0179797145226416	0.0122426452529136	1.91212473459056		0	
C94815	MCPB	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0293084215826999	0.0189849079477319	1.72159150428605		0	
C94826	2,4-DB	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0314835667085807	0.0217386724938963	1.66276698031313		0	
C94917	N,N'-Disalicylidene-1,2-diaminopropane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.141453815131226	0.0811285127009437	1.09082648570949		NA	
C94962	2-Ethyl-1,3-hexanediol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.234771719909249	0.0690357002765406	1.16092626544352		0.00695	
C950378	Methidathion	0	0	0	0	0	9.41e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0771	0	0	0	0	0.26431828604957	0.129836286659651	0.88660391390182		NA	
C95136	Indene	0.0117	0	0	0	0	0.0837	2.68e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0039	0.00432	0	0.0132	0	0	0.657437626081297	0.299156745398018	0.524101200222536		0	
C95147	1,2,3-Benzotriazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.77362725449885	0.594042811952256	0.226182254809007		0	
C95169	Benzothiazole	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.455716945102641	0.408598939135253	0.388702765281407		0	
C95266403	Trinexapac-ethyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.10330547429982	0.0607358828127764	1.21655465154018		NA	
C95385	1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-	0.0142	0.0143	0	0.00742	0.00877	0	0	0	1.73e-06	0	0	0	0	0	0	0.0101	0	0.0145	0	0.00403	0	0	0.0032	0	0.00267	0	0.00206920884552926	0.00104180888995222	2.98221194097059		NA	
C95487	o-Cresol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.578787716170313	0.255163167431	0.593182015436504		0	
C95498	2-Chlorotoluene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.837125353701211	0.377412067077496	0.423184218157872		0	
C95501	1,2-Dichlorobenzene	0.00153	0.00507	0	0.00817	0	0	0	0	0	0	0	0	0	0	0	0.00307	0	0.0214	0	0.0332	0	0	0	0	0	0	0.821512972360417	0.406968567975309	0.390439132008244		0	
C95534	2-Methylaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.784404137297063	0.39490991149818	0.403501966149633		0	
C95545	1,2-Phenylenediamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.788835431072621	0.508471481623797	0.293733400107485		0.0158	
C95578	2-Chlorophenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.616818539867474	0.223011611712473	0.651672523627337		0.00838	
C95636	1,2,4-Trimethylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.73640742700756	0.278785593865037	0.554729671989266		0	
C95658	3,4-Dimethylphenol	0	0	0	0	0	0.00207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0352	0	0	0	0	0	0.335823353987743	0.147459392067399	0.831327560900289		0	
C95737681	Pyriproxyfen	0.0259	0	0	0	0	0	7.46e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00414	0.00269	0	0.0388	0	0	0.0501913806994335	0.0263971412205357	1.57844310416703		NA	
C95749	3-Chloro-4-methylaniline	0.00428	0.012	0	0	0.000445	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0948	0	0	0	0	0	0	0	0.650138591374851	0.337606564321215	0.471589117672078		0	
C957517	Diphenamid	0	0	0	0	0	7.8e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0927	0	0	0	0	0	0.0978175119644441	0.0261317319438128	1.58283180540033		NA	
C95761	3,4-Dichloroaniline	0	0	0	0	0	9.65e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0393	0	0	0	0	0	0.67270216544437	0.394281094710668	0.404194046309159		0.012	
C95807	2,4-Diaminotoluene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.698704077613397	0.349017832237223	0.457152383228842		0	
C95830	4-Chloro-1,2-diaminobenzene	0	0	0	0	0	0	0	0	0.00104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0675	0	0.695060859826062	0.423359645091459	0.373290541567814		0	
C95874	2,5-Dimethylphenol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.5035999137103	0.210937389462461	0.675846433072198		0	
C95932	1,2,4,5-Tetramethylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.780185152298673	0.295761988044679	0.529057643196608		0	
C95943	1,2,4,5-Tetrachlorobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.791343004082795	0.391977700058118	0.406738639656041		0.00507	
C95954	2,4,5-Trichlorophenol	0.00613	0	0	0	0	0.0937	0	0	0	0	0	0	0	0	0	0	0.00181	0	0	0	0.0284	0	0	0	0	0	0.561050173090673	0.201468043729741	0.695793830577241		0	
C959988	Endosulfan I	0.0619	0	0	0	0	0.00955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0216	0	0.00575	0	0	0.108709508737921	0.0870092217149368	1.06043471602885		0.00235	
C960714	Triphenylborane	0.101	0	8.77e-06	0	0	0.028	1.13e-07	0	0	0	0.017	0	0	0	1.02e-05	0	0	0	0	0	0.00146	0.00162	0	0.00336	0	0	0.568122147566713	0.289677538348287	0.538085178767881		0.00198	
C96093	Styrene oxide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.405226626333615	0.406379580022938	0.391068122835761		NA	
C96182535	Tebupirimfos	0	0	0	0	0	0.000385	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0673	0	0	0	0	0	0.113041925958901	0.0352325318130375	1.45305614725522		NA	
C96184	1,2,3-Trichloropropane	0	0	0	0	0	0	0.000631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.076	0	0	0.45750851183668	0.773070081802109	0.111781133817355		0	
C96231	1,3-Dichloro-2-propanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.761643970510424	0.219050794354359	0.659455167580126		0	
C96242	3-Chloro-1,2-propanediol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.756558708235131	0.134437492023147	0.87147959803734		0	
C962583	Diazoxon	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.176609678156034	0.0723128099630557	1.14078476213175		0	
C96297	2-Butanone oxime	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.141422455624422	0.109894699447641	0.959023254402313		0	
C96413	Cyclopentanol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.637837309927822	0.23976309672596	0.620217660776829		0	
C96457	Ethylene thiourea	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.396983693744814	0.0945253033140589	1.02445192039324		NA	
C96480	4-Butyrolactone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.393281295226837	0.16438267607004	0.784143953727994		NA	
C96489713	Pyridaben	0.1	0	0	0	0	0.00196	0	0.0889	0.00385	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0272	0.0666404308176956	0.0588598472303691	1.23018086943814		NA	
C96708	2-tert-Butyl-4-ethylphenol	0.0193	0	0	0	0	0	2.1e-06	0	0	0	0	0	0	0	0	0	0.00416	0	0	0	0	0	0	0.0506	0	0	0.144311940150876	0.0704207069210361	1.15229961956171		0.0164	
C96764	2,4-Di-tert-butylphenol	0	0	0	0	0	0	0	0	2.39e-05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0574	0.210267934316968	0.0913561660540342	1.03926213476061		0.0164	
C96833	Iopanoic acid	0.0454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00789	0.000934	0	0	0	0	0.0444830457621898	0.0231330399027404	1.63576729302974		NA	
C97007	1-Chloro-2,4-dinitrobenzene	0	0.0638	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0482	0	0	0	0	0	0	0	0.501744326408215	0.260577468016397	0.584063140193683		0	
C97234	Dichlorophen	0.0058	0.0643	0	0.00502	0	3.4e-06	0	0	0.00443	0	0	0	0	0	0.000504	0	0.000876	0	0	0	0	0.0463	0	0	0.00565	0	0.33434356803513	0.15980234800976	0.796416843794301		0.018	
C97322877	Troglitazone	6.25e-05	0.000321	0	0	0	0.0854	0	0	0.0529	0	0	0	0	0	0	0	0	0	0	0	0	0.104	0	0	0	0	0.00910998502624532	0.00161904248661682	2.79074175442072		NA	
C97529	2-Methoxy-4-nitroaniline	0	0	0	0	0	0	0	0	0.00046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.151	0	0.13157018367706	0.0743203217858335	1.12889241863889		0	
C97530	Eugenol	0	0	0	0	0	0.0596	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0413	0	0	0	0	0	0.131518666778899	0.0975403026349007	1.010815901272		0.00199	
C97541	Isoeugenol	0.0124	0.00199	0	0.0471	0	0	0	0	0	0	0	0	0.0026	0	0.0137	0.00885	0	0.00071	0	0.00113	0	0	0	0.000879	0	0	0.184921612083112	0.122440642434391	0.912074400366937		0	
C97563	2-Amino-5-azotoluene	0.142	0	0	0	0	0	8.21e-06	0	0	0	0	0	0	0	0	0	0.000843	0	0	0	0.0252	0	0	0.0163	0	0	0.63746454176552	0.303710410625613	0.517540321022909		0	
C97596	Allantoin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.787132088951005	0.438443265266166	0.358086596541848		0.0618	
C97778	Disulfiram	0	0	0	0	0.0329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0043	0	0	0	0	0	0	0.00120365865536004	0.000205744518192988	3.68667172719833		NA	
C97789	N-Dodecanoyl-N-methylglycine	0	0	0	0	0	0.00026	0	0	0.00105	0	0	0	0	0	0	0	0	0	0	0	0	0.111	0	0	0.0386	0	0.00357704526654827	0.00178715476850286	2.74783783574491		0.018	
C97886458	Dithiopyr	0.0183	0	0	0.00238	0	0.0177	0	0	0	0	0	0	0	0	0.00505	0	0.00614	0	0	0	0.00102	0.0126	0	0	0	0	0.131910372731502	0.0855526030763584	1.06776677180962		0	
C97994	Tetrahydrofurfuryl alcohol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.579702117904696	0.161633391114053	0.791468915352479		NA	
C98000	Furfuryl alcohol	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.267268997728486	0.181437684506351	0.741272505184297		NA	
C98011	Furfural	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.336147656827249	0.21744596221009	0.662648652409583		NA	
C98066	tert-Butylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.507031234969837	0.22529296662088	0.647252366222997		0	
C98077	Benzotrichloride	0	0	0	0	0	0.0916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0155	0	0	0	0	0	0.792073824105352	0.38394643745232	0.415729357771528		0	
C98319267	Finasteride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0455775801149951	0.0171599837836171	1.76548312690042		NA	
C98511	4-tert-Butyltoluene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.506275243031936	0.20292570456922	0.692662937463884		0	
C98522	4-tert-Butylcyclohexanol	0	0	0	0	0	0.0501	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00468	0	0	0	0	0.254186395476619	0.12322403529239	0.909304573204335		0	
C98533	4-tert-Butylcyclohexanone	0	0	0.000515	0	0	0	0	0	0	0.0955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.220173290695777	0.0982930301789586	1.00747727628927		0	
C98544	4-tert-Butylphenol	0.161	0	0	0	0	0.0522	0	0	0	0	0	0	0	0	0	0	0.000279	3.75e-05	0	0	0.015	0	0	0	0	0	0.20122711999255	0.0947547822148279	1.02339886223482		0	
C98566	1-Chloro-4-(trifluoromethyl)benzene	0	0	0	0	0	0	0.000219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0709	0	0	0.78651496456576	0.371838859309915	0.42964522590894		0	
C98730042	Benoxacor	0.000355	0.00117	0.363	0	0	0	0	0	0	4.9e-06	0.075	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0130896006332946	0.00502823549273872	2.29858439073111		NA	
C98862	Acetophenone	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.398128643877443	0.416761035013051	0.380112892083453		0	
C98873	Benzal chloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.870633870519224	0.488813920864477	0.310856434376515		0	
C98886443	Fosthiazate	0	0	0	0	0	0.000267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.114	0	0	0	0	0.00155361902766669	0.00628802526757925	2.20148572181149		NA	
C98920	Niacinamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.416376148915411	0.261411758727932	0.582674881040867		0	
C989388	Rhodamine 6G	0	0.158	0.000365	0	0	0	0	0	0	0.00229	0.00115	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00955	0.00116	0.110035884945467	0.0703590886933273	1.15267979425753	EAS low AUC hi	0	KNN low AUC hi
C98953	Nitrobenzene	0	0	0	0	0	0.138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0239	3.34e-07	0	0	0	0	0.524649430903349	0.28503821596201	0.545096908873008		0	
C98967409	Flumetsulam	0	1.44e-07	0.00374	0	0	0	0	0	0	0	0	0.25	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.511184976052088	0.192193552032042	0.716261186718865		0	
C99070	3-Dimethylaminophenol	0.00715	0	0	0	7.72e-07	0.0631	0	0	0	0	0	0	0	0	0	0	0	0	0.00924	0	0.00353	0.0061	0	0	0	0	0.121292459290768	0.078422534045559	1.10555912857212		NA	
C99081	3-Nitrotoluene	0	0	0	0	0	0	0.000398	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0774	0	0	0.521241498813017	0.229730078569725	0.638782138885727		0	
C99309	Dicloran	0	0	0	0	0	0.0773	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0046	0.00773	0	0	0	0	0.575662782662066	0.316001706129263	0.500310572569811		0.0638	
C99514	1,2-Dimethyl-4-nitrobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.367712913837328	0.169971382069986	0.769624194241296		0	
C99547	3,4-Dichloronitrobenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.481482362367628	0.243586317705907	0.613347109765382		0.0638	
C99558	2-Methyl-5-nitroaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.529060646810243	0.235386445841968	0.628218548567845		0	
C99592	2-Methoxy-5-nitroaniline	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.146180602444452	0.0825697903792207	1.08317881795057		0	
C99607702	Cloquintocet-mexyl	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0120394487470594	0.00871778996913436	2.0595935983081		0	
C99627	1,3-Diisopropylbenzene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.811457892147133	0.419312650870529	0.37746203451897		0	
C99638	1,3-Benzenedicarbonyl dichloride	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.517194043081642	0.487185416850791	0.312305720120705		NA	
C99650	1,3-Dinitrobenzene	0	0	0	0	0	0	0	0	3.29e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0591	0.572773408143422	0.329878779911934	0.481645620385414		0	
C99661	Valproic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.203222566483951	0.0979162266555146	1.00914533104679		0.032	
C99718	4-(Butan-2-yl)phenol	0.163	0	0	0.000134	0	0.0129	0	0.000402	0	0	0	0	0	0	0.000147	0	3.56e-05	0.000124	0.000161	0	0.00879	0.00181	0	0	0	0	0.1118307048676	0.072462745065998	1.13988521785277		0.00196	
C99763	Methylparaben	0.00684	1.88e-07	0	0.00454	0	0.0303	0	0	0	0	0	0	0	0	0.0224	0.000696	0.000398	0	0	0	0.00219	0	0	0	0	0	0.176084417785947	0.101256381567306	0.994577596339165		0	
C99854	gamma-Terpinene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.317388326384628	0.173717068037086	0.760157509185817		0.0482	
C99865	alpha-Terpinene	0.0161	0.0482	0	0.00854	0.0164	0	0	0	0	0	0	0	0	0.00162	0	0.000411	0	0.0177	0.0117	0	0	0	0	0	0	0	0.349022107994381	0.147306540399799	0.831777970085521		0	
C99876	p-Cymene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.738184210651811	0.373178120089142	0.428083827420478		0	
C99898	4-Isopropylphenol	0.021	0	0	0.0294	0	0.0252	0	0	0	0	0	0	0	0	0.00391	0	0.00125	0.00175	0	0	0.0247	0	0	0	0	0	0.294192778847653	0.147522171588235	0.831142703246481		0	
C99934	4-Hydroxyacetophenone	0	0	0	0	0	1.39e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0435	0	0	0	0	0.156472792096635	0.0753978384567911	1.12264110452471		0	
C99967	4-Hydroxybenzoic acid	0	0	0	0	0	0.05	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00225	9.49e-05	0	0	0	0	0.1895867853501	0.0839463061269295	1.07599840928157		0	
C99978	N,N,4-Trimethylaniline	0.00737	0	0	0	0	0.0488	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0267	0.0129	0	0.0389	0	0	0.176451819636087	0.0851700354638623	1.06971317191902		0	
C99990	4-Nitrotoluene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.461798837267183	0.187971432280964	0.725908149382476		0	
C999973	Hexamethyldisilazane	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.589281241337452	0.26380724132423	0.578713287546317		NA	
CNOCAS34742	Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)	0	0.000235	0	0	0	0	0	0	0.0868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0718	0	0.0669875681576466	0.0422646356660574	1.37402287042198		0	
CNOCAS47248	CI-1018	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.104	0	0	0	0	0.0760475790668143	0.0386614317406074	1.41272206687416		0	
CNOCAS47255	CP-465394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0659103522271543	0.032569564703971	1.48718804579272		0	
CNOCAS47265	CP-471358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00450845992448318	0.000575389144189154	3.24003833616002		0	
CNOCAS47267	CP-642931	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0675342377824215	0.033289791147977	1.47768892949235		NA	
CNOCAS47291	CI-1044	0	0	0	0	0	6.37e-06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0487	0	0	0	0	0.105314733036002	0.0498160392807085	1.30263080483868		0	
CNOCAS47292	PD 0200347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0285542914709868	0.027740444399335	1.55688658584986		NA	
CNOCAS47299	CP-422935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00390969620908489	0.00078992967643435	3.10241157009682		NA	
CNOCAS47305	CP-608039	0	0	0	0	0	0	0	0	0	0	0	0	0	0.155	0	0	0	0	0	0	0	0	0	0	0	0	0.0271946363304942	0.011674688135176	1.93275471187373		NA	
CNOCAS47311	GSK163929B	0	6.09e-07	0	0	0	0	0	0	0.0847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00419	0.000477	0.0448824567397063	0.0211648471288566	1.67438486403541		NA	
CNOCAS47325	SB413217A	8.97e-05	0	0	0	0	0	0.075	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0019	0.00172	0	0	0.0101429292794551	0.00471930474758174	2.32612197732546		NA	
CNOCAS47328	MK-274	0	0	0	0	0	6.81e-05	0	0	0.085	0	0	0	0	0	0	0	0	0	0	0	0	0.0186	0	0	0.019	0	0.0712053448613303	0.0414316643837596	1.38266761996833		NA	
CNOCAS47330	PharmaGSID_47330	0	0	0	0	0	6.33e-06	0	0	0.00133	0	0	0	0	0	0	0	0	0	0	0	0.0167	0	0	0	0.0889	0	0.165036531398811	0.0875278391042668	1.05785379330421		NA	
CNOCAS47333	PharmaGSID_47333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0391215510492606	0.0230734767232846	1.63688696083331		NA	
CNOCAS47334	MK-968	0	0.0119	0	0	0	0	0	0	0.0128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0922	0.0705772297494791	0.0211924732222498	1.67381835692311		NA	
CNOCAS47342	SR125047	0	0	0	0	0	0	0	0	0.0016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0384	0.0116531888118419	0.00774573370123083	2.11093743816249		NA	
CNOCAS47346	SSR162369	6.23e-05	0	0	0	0	0	0	0.21	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0968340393115501	0.0332696622207992	1.47795160840042		NA	
CNOCAS47351	SSR240612	0.00262	0.00904	0	0	0	0.0239	0	0	0	0	0	0	0	0	0	0	0	0	0.00244	0	0.00436	0.0205	0	0	0	0.00514	0.00693787863210957	0.0019782820242991	2.70371179521308		NA	
CNOCAS47353	SSR241586	0	0.0255	0	0	3.19e-07	0	0	0	0.0297	0	0	0	0	0	0	0	0	0	0.0202	0	0	0	0	0	0.0015	0	0.00780094669519495	0.00251678322641666	2.59915418914981		NA	
CNOCAS47362	SSR150106	0	0	0	0	0	0.000238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0214	0	0	0	0.0257	0.0330892086294464	0.0166122291902338	1.7795720857871		NA	
CNOCAS47364	SSR103800	0	0.0171	0.00172	0	0	0	0	0	0	0	0	0.141	0	0	0	0	0	0	0	0	0	0	0	0	0.0205	0	0.0153381577717341	0.00593139029960999	2.22684349741501		0	
CNOCAS47366	SAR115740	0	0	0	0	0	0	0.00019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.065	0	0	0	0.217731899694278	0.121073480924751	0.916950971219164		NA	
CNOCAS47374	SSR161421	5.98e-06	3.94e-05	0	0	0	0.000218	0	0	0.0838	0	0	0	0	0	0	0	0	0	0	0	0	0.0191	0	0	0	0.0297	0.0698824020329955	0.0405053315062399	1.39248780909771		NA	
CNOCAS47377	AVE6324	0.0137	0	0	0	0	0.0528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00396	0.0171	0.00201	0	0	0.00552	0.0208405699316729	0.00870493886329618	2.06023427468178		0	
CNOCAS47379	SSR126768	0	0.000602	0	0	0	0	0	0	0.131	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0121	0.016774976059297	0.00924460329815012	2.03411172042918		NA	
CNOCAS47383	AVE3247	0	0	0	0	0	0.000391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.168	0	0	0	0	0.0361146145954868	0.0159160539990737	1.79816459607378		0	
CNOCAS47385	SAR377142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0215100696348291	0.00968881817540711	2.01372919417743		NA	
CNOCAS47387	SAR102779	5.9e-05	0.0137	0	0	0	1.48e-05	0	0	0.0189	0	0	0	0	0	0	0	0	0	0	0	0	0.0447	0	0	0.00406	0	0.0059874265919405	0.00167103317490569	2.7770149280028		NA	
CNOCAS47389	SAR150640	0	0.00566	0	0	9.46e-07	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00461	0	0	0	0	0	0.00526	0	0.00571400778501231	0.00126008533574048	2.8996000425124		NA	
CNOCAS47708	Igepal CO-890	0	2.1e-05	0	0.0693	0	0	0	0	0	0	0	0	0	0	0	0	2.89e-05	0.0191	0	0	0	0	0	0	0	0	-1	-1	0		NA	
CNOCAS47796	Formalin	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	-1	0		NA	
