"CODE"	"CASRN"	"Name"	"DSSTox_GSID"	"NVS_NR_bER"	"NVS_NR_hER"	"NVS_NR_mERa"	"OT_ER_ERaERa_0480"	"OT_ER_ERaERa_1440"	"OT_ER_ERaERb_0480"	"OT_ER_ERaERb_1440"	"OT_ER_ERbERb_0480"	"OT_ER_ERbERb_1440"	"OT_ERa_EREGFP_0120"	"OT_ERa_EREGFP_0480"	"ATG_ERa_TRANS_up"	"ATG_ERE_CIS_up"	"Tox21_ERa_BLA_Agonist_ratio"	"Tox21_ERa_LUC_BG1_Agonist"	"ACEA_T47D_80hr_Positive"	"Tox21_ERa_BLA_Antagonist_ratio"	"Tox21_ERa_LUC_BG1_Antagonist"
"C100005"	"100-00-5"	"1-Chloro-4-nitrobenzene"	"DSSTox_20281"	0	0	0	0	0	0	0	0	0	7.68637503115123	0	0	0	0	0	0	16.7022207241321	0
"C100016"	"100-01-6"	"4-Nitroaniline"	"DSSTox_20961"	0	0	8.26877000947691	0	0	0	0	0	0	0	0	0	0	0	0	0	-1.61404280111168	0
"C100027"	"100-02-7"	"4-Nitrophenol"	"DSSTox_21834"	0	0	0	0	0	0	0	0	0	0	0	0	0	13.863493870722	3.70270817039278	0	0	0
"C10016203"	"10016-20-3"	"alpha-Cyclodextrin"	"DSSTox_30698"	9.93674276244584	11.4979212164189	6.30758581351303	0	0	0	0	0	0	0	0	0	0	0	0	0	9.49298333799099	0
"C100210"	"100-21-0"	"Terephthalic acid"	"DSSTox_26080"	0	0	0	0	11.7207421005807	0	5.38958940199025	0	4.12460970098901	0	0	0	0	19.3127695158598	0	0	0	0
"C10025748"	"10025-74-8"	"Dysprosium(III) chloride"	"DSSTox_41909"	0	0	0	0	3.68823723291922	0	0	3.74242556093	3.11794882978058	3.82234180730564	3.87921230691006	0	0	0	0	7.6622576435886	17.0292766029571	0
"C100378"	"100-37-8"	"N,N-Diethylethanolamine"	"DSSTox_21837"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.94576752912634	0
"C10042598"	"10042-59-8"	"2-Propyl-1-heptanol"	"DSSTox_29302"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.0809355713612	0	0
"C10043353"	"10043-35-3"	"Boric acid"	"DSSTox_20194"	0	0	0	0	0	0	0	0	0	0	0	0	11.453155531651	0	0	4.26360219606965	0	0
"C100516"	"100-51-6"	"Benzyl alcohol"	"DSSTox_20152"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.88673438534652	13.2443186262737	0	0
"C100549"	"100-54-9"	"3-Pyridinecarbonitrile"	"DSSTox_26665"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.0127045329104	0	0
"C100641"	"100-64-1"	"Cyclohexanone oxime"	"DSSTox_21842"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1007289"	"1007-28-9"	"Deisopropylatrazine"	"DSSTox_37495"	18.9692319828218	0	0	0	0	0	0	0	0	0	0	0	5.14336007373396	0	0	17.9242860064501	0	0
"C10081671"	"10081-67-1"	"4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline"	"DSSTox_27721"	0	0	6.66804388633944	0	0	0	0	0	4.42735226339038	0	0	0	0	4.35380349264674	0	0	5.52289582039255	4.47049818218233
"C1008726"	"1008-72-6"	"Sodium 2-formylbenzenesulfonate"	"DSSTox_41643"	0	0	0	0	0	0	0	0	0	0	0	0	4.64084450471851	0	0	17.9460770619782	0	0
"C10094345"	"10094-34-5"	"1,1-Dimethyl-2-phenylethyl butanoate"	"DSSTox_38830"	0	0	0	0	0	0	0	0	0	0	0	4.49168567510774	9.47660380195476	0	0	18.7265823987437	0	0
"C100970"	"100-97-0"	"Methenamine"	"DSSTox_20692"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.96815675612257	0	0
"C101020"	"101-02-0"	"Triphenyl phosphite"	"DSSTox_26252"	0	5.93725497370329	10.0036226407047	0	0	3.84990197247602	4.43893208484703	7.19994820040275	4.89376623186365	0	0	4.04432161718566	4.25940371488235	0	0	3.13527672030237	0	0
"C101053"	"101-05-3"	"Anilazine"	"DSSTox_20089"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.56443997143009	11.3690145521334	0	0
"C101100"	"101-10-0"	"Cloprop"	"DSSTox_34232"	0	0	0	0	0	0	0	0	0	5.82601478879574	5.63238185149295	0	12.7770640019616	0	4.10958096232413	18.4772824308835	0	0
"C101202"	"101-20-2"	"Triclocarban"	"DSSTox_26214"	0	0	0	0	0	0	0	0	0	0	-3.74359011750421	0	0	-4.0616821029926	3.63210371521149	0	-0.309581996727869	-3.94761469770867
"C101213"	"101-21-3"	"Chlorpropham"	"DSSTox_20764"	0	0	0	0	0	0	0	0	0	0	0	-3.5116312655771	-2.59641120584991	0	-0.872203083798282	9.28352502635081	0	0
"C101371"	"101-37-1"	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	"DSSTox_37754"	0	0	15.4297214905191	0	5.53592116126614	0	5.47279971839623	0	5.98990675573439	0	3.65530299454343	0	0	0	0	0	0	0
"C101428"	"101-42-8"	"Fenuron"	"DSSTox_37551"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.64190787462343	0	0
"C101463698"	"101463-69-8"	"Flufenoxuron"	"DSSTox_41978"	0	0	0	0	0	0	0	0	5.58837521693209	4.82551104953465	0	0	0	5.25113210001924	0	0	0	4.54135058448888
"C101542"	"101-54-2"	"N-Phenyl-1,4-benzenediamine"	"DSSTox_25895"	0	0	0	0	1.18472199213047	0	2.17439965485383	-3.82395745468538	0.520276873671187	-1.69381071937596	0	-2.04853030599929	-2.71319094148642	0	-1.26543958433447	0	0	0
"C101553"	"101-55-3"	"p-Bromodiphenyl ether"	"DSSTox_23927"	0	0	0	-0.565169027637793	0	0.0831210731725629	-0.142195816031222	-0.159980330521289	0	0	0	1.50013135996609	0.316728841377165	0	-2.4835897018114	0	0	0
"C101611"	"101-61-1"	"4,4'-Methylenebis(N,N-dimethylaniline)"	"DSSTox_20869"	0	0	0	0	0	0	0	0	0	0	0	0.715066054310182	1.60881270818775	0	0	1.13759738552524	0	0
"C10161338"	"10161-33-8"	"17beta-Trenbolone"	"DSSTox_34192"	1.53249986920953	8.76578210059666	1.04805151469248	-1.95502561539586	1.82931354801674	-0.184713602541551	0.798717638661686	-0.618149038010467	0.833049083704653	0.00284715263300528	0.782869075092881	4.94201459226512	4.41791976350299	2.11489904786398	8.00473631769919	10.3935600425816	0	-3.49087909374686
"C101779"	"101-77-9"	"4,4'-Methylenedianiline"	"DSSTox_22422"	0	0	0	3.72191924577265	0	0	4.36125219875429	5.41451638481154	4.89623184026298	0	0	5.53009506742417	4.42256079559397	5.74136269840489	4.47330206449457	4.91350393623019	0	0
"C101804"	"101-80-4"	"4,4'-Oxydianiline"	"DSSTox_21094"	14.9339332249794	0	0	0	5.8492651027328	4.54837167351991	4.5569894781113	5.09868383301894	4.78037247619131	5.4420972186023	0	5.05781572113101	4.784251573369	0	0	0	9.78651028716904	0
"C101815"	"101-81-5"	"Diphenylmethane"	"DSSTox_41891"	0	0	0	0	0	4.83142875109423	3.97375890148574	0	4.11901168895597	8.70568158498253	0	5.04736103643712	3.88703283737534	0	4.62115703750837	19.7158504992935	0	0
"C101837"	"101-83-7"	"Dicyclohexylamine"	"DSSTox_25018"	0	0	0	0	0	0	0	0	0	0	4.07471073133626	4.60100687158302	5.95063059534193	0	0	0	0	0
"C101848"	"101-84-8"	"Diphenyl oxide"	"DSSTox_21847"	0	0	0	0	0	0	0	0	0	0	0	5.28980071604037	0	0	0	7.77106349526093	0	0
"C101860"	"101-86-0"	"2-Benzylideneoctanal"	"DSSTox_26684"	0	4.42082079645915	0	0	0	0	0	0	0.997402057095987	1.85500856250325	0	-1.05349154649271	-1.3380902316995	0	-0.351971150579514	0	0	0
"C102067"	"102-06-7"	"1,3-Diphenylguanidine"	"DSSTox_25178"	0	0	0	0	0	0	0	0	0	0	0.790437952681048	0	0	0	0	0	-1.51459722156422	-0.434997989685102
"C10222012"	"10222-01-2"	"2,2-Dibromo-3-nitrilopropionamide"	"DSSTox_32361"	0	0	15.2783643190309	0	0	0	0	0	0	5.35739319674748	0	5.55287480076831	5.99426792478059	0	0	0	0	0
"C102272"	"102-27-2"	"N-Ethyl-3-methylaniline"	"DSSTox_21848"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1024573"	"1024-57-3"	"Heptachlor epoxide"	"DSSTox_24126"	0	0	0	0	0	-1.53486644694576	0.574344980440107	0.0852439995212868	-0.147555017965657	0	-3.45152215901144	0.388440541990968	1.53723530728857	0	-1.36911547354586	0	-2.97635987450665	6.35193323975481
"C102603"	"102-60-3"	"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine"	"DSSTox_26689"	0	0	0	0	0	0	0	0	0	0	0	0	0	6.05493241821004	5.10379509434134	5.96586749568484	0	0
"C10265926"	"10265-92-6"	"Methamidophos"	"DSSTox_24177"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.3515469614683	0	0
"C102676313"	"102676-31-3"	"Fadrozole hydrochloride"	"DSSTox_20618"	0	6.41681031538415	0	0	0	0	4.59907674205391	0	4.97546633305122	5.0412208111137	4.76669502559418	4.12655163195561	4.46799219355839	0	19.0588015323471	11.3253905747355	0	0
"C102716"	"102-71-6"	"Triethanolamine"	"DSSTox_21392"	0	0	0	0	0	0	0	0	0	0	0	0	11.2412418951604	8.79168589125169	5.18966121857171	4.08759928699803	0	0
"C102761"	"102-76-1"	"Triacetin"	"DSSTox_26691"	0	0	15.4952262268647	0	0	0	0	0	0	0	0	5.3327836483601	3.7271944506239	5.47137647665291	5.3746605499807	0	0	0
"C102829"	"102-82-9"	"Tributylamine"	"DSSTox_26183"	0	0	0	0	0	0	0	0	0	0	0	3.73149043268164	0	0	0	6.41737130097998	0	0
"C103055078"	"103055-07-8"	"Lufenuron"	"DSSTox_34357"	0	0	0	0	0	0	1.97821983908395	0	0	0	0	2.94813304205689	3.96875121516281	2.40650983191936	1.43281068101296	0	0	-0.688756074170639
"C103093"	"103-09-3"	"2-Ethylhexyl acetate"	"DSSTox_26694"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.10674771955446	4.56964184586789	0	0
"C1031078"	"1031-07-8"	"Endosulfan sulfate"	"DSSTox_37541"	0	0	0	-1.50803000637227	-2.39351821396583	0	-1.77433517228259	-1.96471110450063	0	0	-1.79233232307912	5.68646339621955	4.34506933988226	2.95502899021036	0	10.3134312285034	-1.32614425604782	-1.49729460121219
"C103117"	"103-11-7"	"2-Ethylhexyl acrylate"	"DSSTox_25297"	0	0	0	0	0	0	0	0	0	9.32682890558095	0	0	0	0	4.89600857432906	18.7015144140214	6.60493544338656	0
"C103231"	"103-23-1"	"Di(2-ethylhexyl) adipate"	"DSSTox_20606"	0	0	0	0	0	0	0	0	11.692663802568	11.4557172894827	13.5562746508287	0	0	0	2.07071531637299	10.7050652069631	8.31168576841491	0
"C103242"	"103-24-2"	"Bis(2-ethylhexyl) nonanedioate"	"DSSTox_26697"	0	0	10.4781523838912	16.388516820683	0	0	0	0	0	5.06580728605093	1.89710207420904	0	4.41346072445062	0	18.0849166274915	6.62429906263938	4.40196378159761	0
"C103333"	"103-33-3"	"Azobenzene"	"DSSTox_20123"	0	0	0	0	0	0	0	0	0	0	0	4.84931314027847	4.14832640700642	0	2.92915693404723	5.92494419142804	0	0
"C103344"	"103-34-4"	"4,4'-Dithiodimorpholine"	"DSSTox_26698"	0	0	0	0	0	0	6.00145260441434	0	8.6404338432492	4.25101062593461	0	3.85035567897002	0	0	0	9.78454048870732	6.7798854279245	0
"C103361097"	"103361-09-7"	"Flumioxazin"	"DSSTox_32555"	0	0	0	0	0	0	0	0	0	0	0	0	10.3106338906617	0	0	3.28205182373247	5.91159517133313	0
"C1034011"	"1034-01-1"	"Octyl gallate"	"DSSTox_40713"	0.0390644087905096	-0.398579627318296	0.932013510144988	0.556496251510256	0	2.14901091516596	0	1.31263113939456	0	3.39073644088306	0.641610711627554	0.704670302755146	2.08514677068428	-1.66036258242013	0	0	-1.68475259641759	-0.562299870120728
"C103413"	"103-41-3"	"Benzyl cinnamate"	"DSSTox_41663"	0	0	0	0	0	0	0	0	5.6643821601884	0	0	0	4.8904684048109	0	5.96201877861955	0	0	0
"C103651"	"103-65-1"	"Propylbenzene"	"DSSTox_42219"	0	0	0	0	0	0	0	0	0	0	0	0	0	18.8862557038048	0	5.98001218725529	0	0
"C103695"	"103-69-5"	"N-Ethylaniline"	"DSSTox_25271"	0	0	0	0	0	0	0	0	0	0	18.661745207353	0	0	5.84168686679068	0	0	0	0
"C103764"	"103-76-4"	"1-Piperazineethanol"	"DSSTox_21853"	0	0	0	0	0	0	0	0	6.29111745746942	9.37756770876361	0	0	0	0	0	5.95631826033585	28.8099904191717	0
"C103902"	"103-90-2"	"Acetaminophen"	"DSSTox_20006"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C104098488"	"104098-48-8"	"Imazapic"	"DSSTox_34270"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.1544836281872	6.06128303750837	0	0
"C104132"	"104-13-2"	"4-Butylaniline"	"DSSTox_21856"	0	0	0	0	9.01369874077753	5.02482405021362	0	5.63078009172176	0	0	0	7.34973373858194	6.22300862354541	0	4.82944804285207	0	7.29539911285921	0
"C104206828"	"104206-82-8"	"Mesotrione"	"DSSTox_32424"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.4844021253894	0	0
"C104405"	"104-40-5"	"4-Nonylphenol"	"DSSTox_33836"	0	0	0	-0.682758134167935	0.222932396579055	0.175503385293602	-0.384767259567569	0.662145745070446	0.394190397962785	-3.42159191057567	-2.66791973614632	2.24660152867409	3.20458094972039	0	-1.05682090268177	1.6859866476619	-0.958603391119677	0
"C104438"	"104-43-8"	"4-Dodecylphenol"	"DSSTox_22508"	0.734295812917104	1.19808876176728	0	3.59858587227271	3.23239271705444	4.2164861628998	3.87072444874253	5.43870453502003	5.03074255305331	5.82055615559367	6.77036781449537	9.37127389107671	8.45023844865435	2.53406966472262	5.13497746028829	7.1051295313382	0.0814973451967778	-1.49318642421054
"C104450"	"104-45-0"	"4-Propylanisole"	"DSSTox_42325"	0	0	0	0	0	0	0	0	0	0	0	4.22710492080814	0	0	5.47751008307891	0	0	0
"C104518"	"104-51-8"	"Butylbenzene"	"DSSTox_22472"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.26479846428132	0
"C10453868"	"10453-86-8"	"Resmethrin"	"DSSTox_22253"	0	0	0	0	0	0	0	0	0	0	0	-0.831679593371572	5.68541563282814	0	-2.11346097728291	8.84717325016232	-2.17627107721599	-1.52335658011738
"C104541"	"104-54-1"	"3-Phenyl-2-propen-1-ol"	"DSSTox_41491"	0	0	0	0	0	0	0	0	0	0	0	4.14912817745838	5.04427654290726	0	4.55646015719134	6.33775328290809	0	0
"C104610"	"104-61-0"	"gamma-Nonanolactone"	"DSSTox_34229"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C104665"	"104-66-5"	"1,2-Diphenoxyethane"	"DSSTox_26706"	0	0	0	0	3.69659520674548	0	0	0	0	0	0	0	0	0	4.54756643729079	6.47986805698942	0	0
"C104676"	"104-67-6"	"5-Heptyldihydro-2(3H)-furanone"	"DSSTox_34287"	0	0	0	0	0	0	0	0	0	0	0	0	8.41774865656366	0	5.45282726726943	0	0	0
"C104767"	"104-76-7"	"2-Ethyl-1-hexanol"	"DSSTox_20605"	0	0	0	0	0	0	0	0	0	0	0	10.8029845214639	4.60455611112236	0	11.078852590187	0	0	0
"C104795688"	"104795-68-8"	"CI-959"	"DSSTox_47268"	0	7.92826525095059	0	0	0	0	0	0	0	0	-2.26023565821269	-2.31190124788603	-0.34322485926034	0	0	0	-2.4844284340988	0.219424617183765
"C105215"	"105-21-5"	"1,4-Heptanolide"	"DSSTox_47611"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C105373"	"105-37-3"	"Ethyl propionate"	"DSSTox_40110"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.84120905098677	0	0
"C10540291"	"10540-29-1"	"Tamoxifen"	"DSSTox_34187"	8.36463010562142	9.2133038819122	8.12040427667106	5.56292000216449	4.50216951229236	6.11437701552165	6.13458880778094	5.48425676059287	7.91833814701737	6.7616372016022	6.97206353462988	0	0	-2.70917447928042	9.80633113732351	9.86319386913151	3.69359305946762	0.00181532425788492
"C105512069"	"105512-06-9"	"Clodinafop-propargyl mixt."	"DSSTox_32354"	0	0	0	0	0	0	0	0	0	3.96101331732663	0	0	9.08566178912555	0	0	0	9.70221972233692	8.79436902258666
"C105533"	"105-53-3"	"Diethyl propanedioate"	"DSSTox_21863"	0	0	0	0	0	0	0	0	0	0	0	0	4.48533223139022	0	4.61147115478151	0	0	0
"C105544"	"105-54-4"	"Ethyl butyrate"	"DSSTox_40111"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.81795638537785	0	0	0
"C105555"	"105-55-5"	"N,N'-Diethylthiourea"	"DSSTox_20466"	0	0	14.7426174687637	0	20.8200778489458	0	0	0	6.75594547683227	3.43442173440457	0	0	0	4.84785529979548	5.51916995270151	17.9735488165081	0	0
"C105602"	"105-60-2"	"Caprolactam"	"DSSTox_20240"	0	0	0	0	0	0	0	0	0	0	0	5.7335643869032	6.48489142855655	0	0	4.12189950201403	0	0
"C105624860"	"105624-86-0"	"5HPP-33"	"DSSTox_46970"	4.81761378119858	4.43763785279077	4.94937323305486	2.55311226422183	0	4.12377077177158	0	4.36602062090042	0	6.80713027600073	6.8668802326441	7.85428209423621	2.7941210811801	5.97278885336339	7.50247280587781	6.25445135571557	-1.21123355527001	-2.00388057939847
"C105679"	"105-67-9"	"2,4-Dimethylphenol"	"DSSTox_21864"	0	0	0	0	0	0	0	0	0	0	0	3.72713995804981	0	0	0	0	0	0
"C105873"	"105-87-3"	"Geranyl acetate"	"DSSTox_20654"	0	0	0	0	0	0	0	0	0	4.86551774729095	0	7.45148226356887	4.54579594618088	0	4.8975635485907	0	0	0
"C105997"	"105-99-7"	"Dibutyl hexanedioate"	"DSSTox_21866"	0	0	0	0	0	0	0	0	3.0092852124272	8.63336608223969	0	10.6140037317989	5.75429988445781	0	0	0	0	0
"C10605217"	"10605-21-7"	"Carbendazim"	"DSSTox_24729"	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.52360337035609	-3.0925033892466	0	0.192054213606942	0
"C1061517621"	"1061517-62-1"	"PharmaGSID_47337"	"DSSTox_47337"	0	0	0	0	0	0	0	0	0	0	-2.27737620099617	0	7.71614981204507	-1.83746181838785	0	0	0.490943581658718	0
"C106229"	"106-22-9"	"Citronellol"	"DSSTox_26726"	0	0	0	0	0	0	0	0	0	0	0	-7.90065582514996	-9.2501994828505	0	-8.36133606983873	0	0	0
"C106230"	"106-23-0"	"Citronellal"	"DSSTox_41790"	0	0	0	0	0	0	0	0	0	6.04266170074417	0	0	0	0	4.17238934256592	0	0	0
"C106241"	"106-24-1"	"Geraniol"	"DSSTox_26727"	0	0	0	0	0	0	0	0	0	0	0	4.42981267195559	2.98352785963111	0	0	0	0	0
"C106252"	"106-25-2"	"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"	"DSSTox_26728"	0	0	0	0	0	0	0	0	0	8.45992764828718	0	0	0	0	0	0	0	0
"C106274"	"106-27-4"	"Isopentyl butyrate"	"DSSTox_42059"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.22492034935755	0	0	0
"C106309"	"106-30-9"	"Ethyl heptanoate"	"DSSTox_40112"	0	6.27785432031202	0	0	0	0	0	0	0	4.50930337280986	0	7.07656479540494	5.78571163893945	3.95040465190142	5.45458158635534	6.58826276274062	0	0
"C106434"	"106-43-4"	"4-Chlorotoluene"	"DSSTox_24814"	0	0	0	5.48715382108997	0	0	0	0	0	0	0	0	12.0815272674332	17.8237772768491	0	0	0	0
"C106445"	"106-44-5"	"p-Cresol"	"DSSTox_21869"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C106456"	"106-45-6"	"4-Thiocresol"	"DSSTox_48188"	0	0	0	0	0	0	0	0	0	0	3.96851102676181	7.72962517092325	6.77993458073456	0	5.20248387031108	0	8.88905481234318	0
"C106467"	"106-46-7"	"1,4-Dichlorobenzene"	"DSSTox_20431"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C106478"	"106-47-8"	"4-Chloroaniline"	"DSSTox_20295"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.78429293972563	0
"C106489"	"106-48-9"	"4-Chlorophenol"	"DSSTox_21871"	12.1476191197179	14.9049606409765	10.4547009639363	5.16950035696257	0	5.65365427830189	9.1104638834605	4.69352497520322	8.41657911034134	0	5.4060961557172	4.41733645566347	2.98354117554983	0	0	0	0	0
"C106490"	"106-49-0"	"4-Methylaniline"	"DSSTox_21872"	0	0	0	0	0	0	0	0	0	0	0	0	0	9.85117122052664	0	0	0	0
"C106503"	"106-50-3"	"1,4-Benzenediamine"	"DSSTox_21138"	0	11.0157511365767	0	0	7.63572251063526	0	7.94442159227682	7.2759312274645	8.64040040484582	4.08017686728963	7.29140122419906	0	0	5.40573903458271	5.89665519009057	0	4.34653742985066	4.9521808951798
"C106650"	"106-65-0"	"Dimethyl succinate"	"DSSTox_25152"	0	0	0	0	0	0	0	0	0	5.48466098258634	0	0	0	0	3.90939619674814	0	0	0
"C106683"	"106-68-3"	"3-Octanone"	"DSSTox_41954"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1067250"	"1067-25-0"	"Trimethoxypropylsilane"	"DSSTox_42494"	0	0	0	0	0	0	0	0	0	3.26383478233275	3.94839492932552	0	0	0	0	0	9.47701005937371	0
"C1067534"	"1067-53-4"	"Tris(2-methoxyethoxy)vinylsilane"	"DSSTox_27356"	5.27196403475579	0	7.26382588176012	0	6.65809520225887	0	0	0	0	0	0	0	0	0	0	18.8295683000014	8.28123978974204	0
"C106876"	"106-87-6"	"4-Vinyl-1-cyclohexene dioxide"	"DSSTox_20604"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1068967963"	"1068967-96-3"	"SAR102608"	"DSSTox_47391"	0	0	0	0	0	0	0	0	0	-1.90314181940828	-2.85782247563506	0	0	0	0	0	-1.75697805761235	-1.90764354181173
"C106934"	"106-93-4"	"1,2-Dibromoethane"	"DSSTox_20415"	0	0	0	0	0	0	0	0	3.70569856634006	0	0	6.04819867057708	5.36523576945899	0	0	0	0	0
"C107073"	"107-07-3"	"2-Chloroethanol"	"DSSTox_21877"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.30308864996272	0	0	0
"C107131"	"107-13-1"	"Acrylonitrile"	"DSSTox_20029"	0	0	6.77757507873372	0	0	0	0	0	0	0	0	0	4.15411126554897	0	4.44026095791138	6.27047325298792	0	0
"C107186"	"107-18-6"	"Allyl alcohol"	"DSSTox_20044"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.83484626776552	0	0
"C107200"	"107-20-0"	"Chloroacetaldehyde"	"DSSTox_20292"	0	0	0	5.1127393566988	0	0	5.40683679614008	0	0	0	3.90651152132443	0	12.4720748608243	16.6769769043749	4.17544244407916	0	0	0
"C107211"	"107-21-1"	"Ethylene glycol"	"DSSTox_20597"	0	0	0	0	0	0	0	0	0	0	0	6.2771575118751	0	0	0	0	0	0
"C1072157"	"1072-15-7"	"Sulfuric acid, monononyl ester, sodium salt"	"DSSTox_47487"	0	6.85785724446537	7.28526058975514	0	0	0	0	0	0	0	0	6.28518363601946	8.8885584255613	0	5.22565174712963	3.86589539357791	0	0
"C107302"	"107-30-2"	"Chloromethyl methyl ether"	"DSSTox_20307"	0	0	0	0	0	0	0	0	0	0	0	3.35592083141472	5.94022551881712	14.7489830614571	7.1378977163887	13.9528929509302	0	0
"C107415"	"107-41-5"	"2-Methyl-2,4-pentanediol"	"DSSTox_21885"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.43800086429849	0	0
"C107460"	"107-46-0"	"Hexamethyldisiloxane"	"DSSTox_26769"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C107517"	"107-51-7"	"Octamethyltrisiloxane"	"DSSTox_40710"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C107534963"	"107534-96-3"	"Tebuconazole"	"DSSTox_32113"	0	0	0	0	0	0	0	1.01146081301378	1.11052315573843	0	0	1.80453948506006	7.0819434801821	0	0	0	-0.47310125889962	-0.416251422875554
"C107540"	"107-54-0"	"3,5-Dimethyl-1-hexyn-3-ol"	"DSSTox_41472"	0	0	15.4412908275508	0	0	0	0	0	0	16.3831692958814	0	0	0	0	0	6.29627836416021	0	0
"C1076977"	"1076-97-7"	"1,4-Cyclohexanedicarboxylic acid"	"DSSTox_38788"	22.4825885256067	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C107755"	"107-75-5"	"7-Hydroxy-3,7-dimethyloctanal"	"DSSTox_42232"	0	0	0	0	0	0	0	0	0	9.79744763642063	0	0	0	0	0	0	0	0
"C107879"	"107-87-9"	"2-Pentanone"	"DSSTox_21888"	0	0	0	0	0	0	6.22700294983196	0	7.24934706893188	5.79252918780973	5.79430318656758	0	0	0	0	6.51851705621548	0	0
"C107880"	"107-88-0"	"1,3-Butanediol"	"DSSTox_26773"	12.0208593529171	0	0	0	0	0	0	0	0	0	0	6.07986720847953	5.79969184149424	0	0	0	0	0
"C107926"	"107-92-6"	"Butanoic acid"	"DSSTox_21515"	0	0	0	0	0	0	0	0	0	3.95476224615832	0	0	0	0	0	0	0	0
"C107982"	"107-98-2"	"1-Methoxy-2-propanol"	"DSSTox_24284"	9.08819415377955	10.2926225640294	6.81322549626741	0	0	0	0	0	0	11.9670416567906	0	0	0	5.72142096309265	4.05778454129646	5.33006468878704	0	0
"C108010"	"108-01-0"	"Dimethylaminoethanol"	"DSSTox_20505"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C108112"	"108-11-2"	"4-Methyl-2-pentanol"	"DSSTox_26781"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.377254634277	0	0
"C108214"	"108-21-4"	"Isopropyl acetate"	"DSSTox_25478"	0	15.6069878304913	8.00922666289136	0	5.60404699802719	0	5.31650060866467	0	5.73897414328288	6.03690773566305	4.77641205686617	0	0	5.6876865842647	4.72703008402211	0	0	0
"C108327"	"108-32-7"	"Propylene carbonate"	"DSSTox_26789"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.58343531554487	0	0
"C108383"	"108-38-3"	"1,3-Dimethylbenzene"	"DSSTox_26298"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13.0735972376696	0	0
"C108394"	"108-39-4"	"m-Cresol"	"DSSTox_24200"	0	0	7.25485476872279	0	0	0	0	0	0	0	0	0	0	8.16007470865458	0	4.19044320502188	0	0
"C108419336"	"108419-33-6"	"Acetic acid, C8-10-branched alkyl esters, C9-rich"	"DSSTox_29848"	0	0	0	0	0	0	0	0	0	3.80798235624656	0	0	0	0	0	17.8771996296999	0	0
"C108441"	"108-44-1"	"3-Methylaniline"	"DSSTox_26792"	0	0	0	0	0	0	0	0	0	0	0	0	0	18.4856524877553	4.13875203226632	3.99870649350064	8.88978959807792	0
"C108452"	"108-45-2"	"1,3-Benzenediamine"	"DSSTox_21137"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C108463"	"108-46-3"	"Resorcinol"	"DSSTox_21238"	0	0	0	0	4.66991732281198	3.92505790214724	5.66744536616979	5.66060052322538	6.61896483314454	5.41207571217744	4.80679200081159	4.18177745463279	0	0	0	6.4406421451416	0	0
"C1085127"	"1085-12-7"	"Heptylparaben"	"DSSTox_22523"	1.79400262297674	4.02260293239435	9.98027055627576	1.38850105607845	1.86701677592367	2.89532680432965	2.29777895974591	3.56044774398584	3.33993701978454	4.23307040993012	4.27424649492826	2.75075998075463	1.46897015747059	0.40275519523325	1.17817348274277	5.29017661590737	-0.767894011868245	0
"C108598"	"108-59-8"	"Dimethyl malonate"	"DSSTox_29145"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C108678"	"108-67-8"	"1,3,5-Trimethylbenzene"	"DSSTox_26797"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.89710205614244	0	0
"C108689"	"108-68-9"	"3,5-Dimethylphenol"	"DSSTox_25148"	0	0	0	0	0	0	4.3333490746483	0	5.7180928192539	0	0	0	0	0	0	16.0999327700726	0	0
"C108770"	"108-77-0"	"2,4,6-Trichloro-s-triazine"	"DSSTox_26799"	0	0	0	0	0	0	0	4.38193252599635	4.29792951456274	0	0	0	0	2.26479842314551	3.5304011238649	0	0	0
"C108805"	"108-80-5"	"Cyanuric acid"	"DSSTox_24873"	0	0	0	0	0	0	0	0	0	0	0	0	2.72238569614093	0	0	0	0	0
"C108838"	"108-83-8"	"Diisobutyl ketone"	"DSSTox_25080"	0	0	0	3.63354993906414	5.25719011028606	0	4.61690791099554	0	0	0	0	0	0	0	0	16.5577249847473	0	0
"C108918"	"108-91-8"	"Cyclohexylamine"	"DSSTox_23996"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C108930"	"108-93-0"	"Cyclohexanol"	"DSSTox_21894"	0	0	14.6684019183787	9.31766451409925	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C108941"	"108-94-1"	"Cyclohexanone"	"DSSTox_20359"	0	0	0	0	0	0	7.34599244007826	0	0	0	0	0	0	0	0	15.7091915176863	0	0
"C108952"	"108-95-2"	"Phenol"	"DSSTox_21124"	0	14.9852377233191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C108985"	"108-98-5"	"Benzenethiol"	"DSSTox_26811"	0	0	0	0	0	0	0	0	0	5.42802109612645	0	5.16653711402093	4.87469817353556	2.26479843680006	4.3694827005415	0	0	0
"C109024"	"109-02-4"	"4-Methylmorpholine"	"DSSTox_29146"	0	0	0	0	0	0	0	0	5.37924524908417	0	0	0	0	0	0	0	0	0
"C109433"	"109-43-3"	"Dibutyl decanedioate"	"DSSTox_41847"	0	0	0	0	0	0	6.01671030042709	0	5.53256190585022	0	0	0	0	0	0	0	6.16129465773108	0
"C109466"	"109-46-6"	"N,N'-Dibutylthiourea"	"DSSTox_42187"	0	0	0	0	0	0	0	0	-0.221331501326617	0	0	5.61082093078664	0	0	0	0	7.41247017774329	0
"C109524"	"109-52-4"	"Pentanoic acid"	"DSSTox_21655"	0	0	0	0	0.238600790576243	0	2.57476056275232	0	0	0.312798814641204	0.321580016139307	0	0	0	0	1.12605287038415	0	0
"C109557"	"109-55-7"	"3-(Dimethylamino)propylamine"	"DSSTox_25102"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.5345111569417	0	0	0
"C1095905"	"1095-90-5"	"Methadone hydrochloride"	"DSSTox_20501"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C109773"	"109-77-3"	"Propanedinitrile"	"DSSTox_21907"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.51597449017799	0	0	0
"C109864"	"109-86-4"	"2-Methoxyethanol"	"DSSTox_24182"	0	0	0	0	0	0	0	0	0	6.5867159440596	0	0	0	0	0	5.00683722053053	0	0
"C110054"	"110-05-4"	"Di-tert-butyl peroxide"	"DSSTox_24955"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.12736091935614	0	0
"C110123"	"110-12-3"	"5-Methyl-2-hexanone"	"DSSTox_21914"	0	0	0	0	3.78064191374889	0	3.60633587116394	0	3.00721049831391	0	0	0	0	0	0	16.1231084603596	0	0
"C110156"	"110-15-6"	"Butanedioic acid"	"DSSTox_23602"	0	0	0	0	0	0	0	0	0	0	0	0	0	4.73988025035584	4.99370581964738	19.4621603607095	0	0
"C110167"	"110-16-7"	"Maleic acid"	"DSSTox_21517"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C110178"	"110-17-8"	"Fumaric acid"	"DSSTox_21518"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.91741263639894	0
"C110235477"	"110235-47-7"	"Mepanipyrim"	"DSSTox_42121"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.640986788272539	0	-1.74286131242039	0
"C110258"	"110-25-8"	"Oleyl sarcosine"	"DSSTox_42243"	-0.0305065812294283	0	19.8818415596419	0	0	-0.930635140336621	0	-1.42525559515705	-1.12265274684917	1.92451629532385	1.47688512082935	0	5.50751977406163	-0.277356481988171	0	0	0.756062073370522	3.06779471064643
"C110269"	"110-26-9"	"N,N'-Methylenebisacrylamide"	"DSSTox_25595"	0	5.26426945407549	12.0586285199495	0	0	0	0	0	0	0	0	0	0	2.26479854293552	2.07071531189215	0	0	0
"C110270"	"110-27-0"	"Isopropyl tetradecanoic acid"	"DSSTox_26838"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19.8578448067068	10.0997670683053	0
"C110338"	"110-33-8"	"Dihexyl hexanedioate"	"DSSTox_26841"	0	0	0	0	0	0	0	0	0	0	0	0	5.37963898646588	11.562042849326	0	0	6.32814227920374	0
"C110429"	"110-42-9"	"Methyl decanoate"	"DSSTox_26842"	0	0	0	0	6.2680880535263	0	0	0	0	0	0	0	4.17477615502239	0	0	7.02403886617813	15.2788417605305	0
"C110430"	"110-43-0"	"2-Heptanone"	"DSSTox_21916"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8.8547585788527	0	0
"C110441"	"110-44-1"	"Sorbic acid"	"DSSTox_21277"	0	0	0	4.05186792094197	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C110488705"	"110488-70-5"	"Dimethomorph"	"DSSTox_34545"	0	0	0	0	0	0	0	0	0	-2.99186826501631	0	-0.669191038639831	0	0	-6.40020056567127	0	0	0
"C110623"	"110-62-3"	"Pentanal"	"DSSTox_21653"	0	0	0	0	0	0	0	0	0	0	0	4.43318991980752	4.82399994612597	0	0	0	0	0
"C110634"	"110-63-4"	"1,4-Butanediol"	"DSSTox_24666"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.48752388369459	0	5.07223367031156	0
"C110656"	"110-65-6"	"2-Butyne-1,4-diol"	"DSSTox_21921"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19.3551474079436
"C110690"	"110-69-0"	"Butanal oxime"	"DSSTox_24664"	0	0	0	0	0	0	0	0	0	0	0	0	5.0129481860724	0	0	0	0	0
"C110736"	"110-73-6"	"2-(Ethylamino)ethanol"	"DSSTox_21922"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.22134690873473	3.99245563321792	0	0
"C110805"	"110-80-5"	"2-Ethoxyethanol"	"DSSTox_24087"	0	0	0	0	0	0	0	0	0	0	0	0	0	19.7437555998233	0	0	0	0
"C110850"	"110-85-0"	"Piperazine"	"DSSTox_21164"	0	0	0	0	0	0	0	0	0	4.13258515399051	0	0	0	0	4.36983743670611	5.88902058433311	0	0
"C110872"	"110-87-2"	"3,4-Dihydro-2H-pyran"	"DSSTox_41426"	0	0	0	0	0	0	0	0	0	0	0	4.98043348789451	12.3692768168275	0	5.56740980218405	18.7437108088272	0	0
"C110918"	"110-91-8"	"Morpholine"	"DSSTox_25688"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.06400655196922	0	0
"C110974"	"110-97-4"	"Diisopropanolamine"	"DSSTox_20179"	0	0	0	0	6.6155764463219	0	6.20880271189044	5.50573892242031	6.26733829684359	3.32445863496424	5.79124187483042	0	0	0	0	7.7896801940329	0	0
"C11099073"	"11099-07-3"	"Glyceryl stearates"	"DSSTox_29304"	0	0	0	0	0	0	0	0	2.60325482206531	0	0	0	0	0	0	0	0	0
"C111115"	"111-11-5"	"Methyl octanoate"	"DSSTox_26864"	0	0	0	0	0	0	0	0	0	0	4.06709682208609	0	0	0	0	0	0	0
"C111148"	"111-14-8"	"Heptanoic acid"	"DSSTox_21600"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.93479780541591	0	0	0
"C111159"	"111-15-9"	"2-Ethoxyethyl acetate"	"DSSTox_21928"	0	0	8.20649234850854	11.3548665570804	0	0	0	0	0	7.31402985836165	0	0	0	0	0	0	0	0
"C1111780"	"1111-78-0"	"Ammonium carbamate"	"DSSTox_27360"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.54124208816612	0
"C111206"	"111-20-6"	"Decanedioic acid"	"DSSTox_26867"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.13529408783791	16.6078470028688	0	0
"C111217"	"111-21-7"	"Triethylene glycol diacetate"	"DSSTox_26223"	0	0	0	0	0	0	0	0	0	0	0	0	0	15.087416534293	0	0	0	0
"C1112396"	"1112-39-6"	"Dimethoxydimethylsilane"	"DSSTox_42379"	0	0	0	0	0	0	0	0	0	0	0	0	0	18.9153811315381	0	0	13.4614333202716	0
"C111273"	"111-27-3"	"1-Hexanol"	"DSSTox_21931"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.67585901872828	0	0	0
"C111308"	"111-30-8"	"Glutaraldehyde"	"DSSTox_25355"	3.90675762459804	0	0	2.39574410305665	-0.923927022464953	0	-2.9217647606016	0	-2.08173752145991	0	0	0	0	0	0	0	0	0
"C111400"	"111-40-0"	"Diethylenetriamine"	"DSSTox_25050"	0	0	0	0	0	0	0	0	0	3.58209988338793	0	0	0	0	0	0	0	0
"C111422"	"111-42-2"	"Diethanolamine"	"DSSTox_21932"	0	0	0	0	8.09691149675965	0	0	0	0	0	0	0	0	0	4.96437932576815	0	0	0
"C111444"	"111-44-4"	"Bis(2-chloroethyl) ether"	"DSSTox_20168"	0	0	0	0	0	0	0	0	0	4.31122214768606	5.04733996114822	0	12.24785255955	0	0	0	0	0
"C111466"	"111-46-6"	"Diethylene glycol"	"DSSTox_20462"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1114712"	"1114-71-2"	"Pebulate"	"DSSTox_21199"	0	9.35633971245104	14.9063127192794	0	0	0	0	0	0	0	0	3.60215674308777	0	0	0	0	5.93687412233926	0
"C111499"	"111-49-9"	"Hexamethyleneimine"	"DSSTox_26879"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.17780943187483	4.33161911984088	0	0
"C111557"	"111-55-7"	"1,2-Ethanediol diacetate"	"DSSTox_26880"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111626"	"111-62-6"	"Ethyl oleate"	"DSSTox_47633"	0	0	0	0	0	0	0	0	0	0	4.53237086118288	5.18305840921164	5.86041806605323	0	0	0	5.94281386248396	0
"C111693"	"111-69-3"	"Hexanedinitrile"	"DSSTox_21936"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.26601111612012	0	0
"C111706"	"111-70-6"	"1-Heptanol"	"DSSTox_21937"	0	0	0	0	0	0	0	0	0	0	0	4.39931615924192	5.870880221565	0	0	18.4906202851033	0	0
"C111717"	"111-71-7"	"Heptanal"	"DSSTox_21597"	0	0	0	0	4.68972557489763	0	4.25518763974014	0	5.73894741360892	0	0	6.69463432323394	6.45990166643051	0	0	8.73319815055942	0	0
"C111762"	"111-76-2"	"2-Butoxyethanol"	"DSSTox_24097"	0	0	0	0	0	0	0	0	0	0	0	0	3.56066419988971	0	0	5.72024876586415	2.29757759642765	0
"C111773"	"111-77-3"	"Diethylene glycol monomethyl ether"	"DSSTox_25049"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111812589"	"111812-58-9"	"Fenpyroximate (Z,E)"	"DSSTox_32550"	0	0	0	0	0	0	0	0	0	3.98027498981163	2.36074080090799	0	8.41071245244724	10.5450321222614	0	12.9263351614719	-2.21218940325428	11.432513812869
"C111820"	"111-82-0"	"Methyl dodecanoate"	"DSSTox_26889"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111842"	"111-84-2"	"Nonane"	"DSSTox_25796"	0	0	0	0	0	0	0	0	0	0	0	0	4.516317065758	0	0	6.15291964250436	0	0
"C1118463"	"1118-46-3"	"Butyltin trichloride"	"DSSTox_29210"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111875"	"111-87-5"	"1-Octanol"	"DSSTox_21940"	0	0	0	0	0	0	0	0	0	0	0	5.28013745463579	0	0	3.89435088771374	0	0	0
"C1118929"	"1118-92-9"	"N,N-Dimethyloctanamide"	"DSSTox_27364"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17.8157712653479	0	0
"C111900"	"111-90-0"	"2-(2-Ethoxyethoxy)ethanol"	"DSSTox_21941"	0	0	0	0	0	5.23029824292737	0	0	0	0	0	0	0	0	0	15.0022399725223	0	0
"C1119400"	"1119-40-0"	"Dimethyl glutarate"	"DSSTox_25122"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111966"	"111-96-6"	"Bis(2-methoxyethyl) ether"	"DSSTox_24621"	0	0	0	0	0	0	0	0	0	4.52971287451484	0	0	0	0	0	9.93100479349631	0	0
"C111988499"	"111988-49-9"	"Thiacloprid"	"DSSTox_34961"	0	0	0	0	0	0	0	0	0	0	0	0	0	11.6190489312138	0	0	0	0
"C111991094"	"111991-09-4"	"Nicosulfuron"	"DSSTox_34764"	0	0	0	0	0	0	0	0	5.62797533035328	0	0	4.28453194337009	5.85909448436713	0	0	0	0	0
"C1120010"	"1120-01-0"	"Sodium hexyldecyl sulfate"	"DSSTox_42400"	0	0	0.439080350329397	0	0	0	0	0	0	0	0	-3.56570502195396	0	0	0	0	0	0
"C1120043"	"1120-04-3"	"Octadecyl sulfate sodium salt"	"DSSTox_47103"	0	0	3.91234447380625	0	1.81949742687527	0	1.77124106746697	0	2.46711278590577	0	2.62882615323564	0.403956796279403	0.832930104231754	0.602476463895102	0	3.62272059286573	0.444201180965162	0
"C112005"	"112-00-5"	"Dodecyltrimethylammonium chloride"	"DSSTox_26900"	0	0	3.86334136808379	0	0	0	0	0	0	14.5610876087147	-0.0276286212506495	0	0	1.04516899482305	0	3.61181129251001	0.17539193058169	-0.305235895485481
"C1120214"	"1120-21-4"	"Undecane"	"DSSTox_21689"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17.5926045274674	0	0
"C112050"	"112-05-0"	"Nonanoic acid"	"DSSTox_21641"	0	0	0	0	0	0	0	0	0	0	0	4.58257035477295	3.88702150537818	0	0	17.9192304155304	0	0
"C1120714"	"1120-71-4"	"1,3-Propane sultone"	"DSSTox_21195"	0	0	0	0	6.15990650506427	0	6.00052053016083	0	6.66318436499179	0	3.99576217224283	0	0	0	0	14.8636643775789	0	14.686430249988
"C112072"	"112-07-2"	"2-Butoxyethyl acetate"	"DSSTox_26904"	0	0	0	0	8.99553569844521	0	0	0	0	0	7.65728996093978	0	0	5.67489744958252	0	6.89347036539178	0	0
"C112129"	"112-12-9"	"2-Undecanone"	"DSSTox_21943"	0	0	0	3.52455794818657	4.97485839927837	0	8.85301394726546	0	0	0	2.16768078899093	0	4.31528889401609	0	0	0	0	0
"C112141"	"112-14-1"	"Octyl acetate"	"DSSTox_44202"	0	0	0	0	5.9978387100368	0	0	0	0	0	0	0	0	0	4.8430019611928	17.8670014591955	0	0
"C112185"	"112-18-5"	"N,N-Dimethyldodecan-1-amine"	"DSSTox_26906"	0	0	0	4.45464623161835	0	5.45007538526585	5.15498121911114	3.89668032126448	4.07125085589184	7.36953133180511	0	5.47991941794641	0	0	0	7.19205994030114	0	0
"C112226616"	"112226-61-6"	"Halofenozide"	"DSSTox_32619"	0	0	0	0	1.89710205426727	0	0	0	4.30664031723939	2.97679690414707	4.19722164729852	0	0	5.02603053649829	0	15.8572877671363	0	0
"C112254"	"112-25-4"	"2-(Hexyloxy)ethanol"	"DSSTox_26908"	0	0	0	0	0	0	0	0	0	0	0	0	2.98181777488313	0	0	0	0	0
"C112276"	"112-27-6"	"Triethylene glycol"	"DSSTox_21393"	0	0	0	0	4.05729234698819	0	4.84288948124098	3.3046895565823	0	0	0	0	0	0	2.0707154239369	0	0	0
"C112281773"	"112281-77-3"	"Tetraconazole"	"DSSTox_34956"	0	0	0	0	0	0	0	0	0	-2.61962443718436	0	-0.0241133730846355	0.448871175879956	0	0	11.407015633985	-1.40916470774163	-2.10266150973162
"C112301"	"112-30-1"	"1-Decanol"	"DSSTox_21946"	0	0	0	0	0	0	0	0	0	0	3.77120072727809	4.94608786548357	0	0	4.97458655055903	6.50937186624686	0	0
"C112312"	"112-31-2"	"Decanal"	"DSSTox_21553"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.54977394646615	0
"C112345"	"112-34-5"	"2-(2-Butoxyethoxy)ethanol"	"DSSTox_21519"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.01847033903697	0	0
"C112356"	"112-35-6"	"2-[2-(2-Methoxyethoxy)ethoxy]ethanol"	"DSSTox_26912"	0	0	0	0	0	0	0	0	4.36881467655691	0	0	0	0	0	0	0	0	0
"C112389"	"112-38-9"	"10-Undecenoic acid"	"DSSTox_35001"	0	0	0	0	0	0	4.77551539459194	0	0	0	0	0	4.07213663037205	0	0	0	4.77374585349644	0
"C112410238"	"112410-23-8"	"Tebufenozide"	"DSSTox_34948"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1.72903641169812	7.42028388990577
"C112425"	"112-42-5"	"1-Undecanol"	"DSSTox_26915"	0	5.64505543141014	0	0	0	0	-0.2018644606508	-0.988235058692063	-0.573974896135286	6.34567700043726	0	0	0	0	0	0	-1.13694219776775	0
"C112492"	"112-49-2"	"Triethylene glycol dimethyl ether"	"DSSTox_26224"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112505"	"112-50-5"	"2-[2-(2-Ethoxyethoxy)ethoxy]ethanol"	"DSSTox_24368"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112529154"	"112529-15-4"	"Pioglitazone hydrochloride"	"DSSTox_44203"	0	0	0	-0.742752120645902	-0.866282083858695	-0.183224032426419	-0.450681338645269	0	0	0	0	0	-0.0804463764487851	-1.76044623355205	0	-1.81400132577178	-1.63919337542212	-1.57520106591693
"C112538"	"112-53-8"	"1-Dodecanol"	"DSSTox_26918"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.675885668475043	0
"C112550"	"112-55-0"	"1-Dodecanethiol"	"DSSTox_25220"	0	0	0	0	0	0	0	0	0	0	0	5.37170850969052	0	0	0	0	0	0
"C112607"	"112-60-7"	"Tetraethylene glycol"	"DSSTox_26922"	0	0	0	0	0	0	0	0	5.02801690980228	0	0	0	0	0	8.20895669430179	0	0	0
"C112630"	"112-63-0"	"Methyl linoleate"	"DSSTox_20843"	1.26323307310435	3.11896667486233	0	0	0	0	0	0	2.20288786389006	0	-2.03842231054325	0	0	0	0	0	-0.30608668155593	0
"C112709"	"112-70-9"	"1-Tridecanol"	"DSSTox_21947"	0	0	0	0.761698171186342	0	0	0	0	0	0	0	-1.08079059600334	0	0	-0.93140092791789	16.0416049460563	0	0
"C112721"	"112-72-1"	"1-Tetradecanol"	"DSSTox_26926"	0	0	0	0	0	0	0	0	0	4.39312868656393	3.76825702014904	-0.299330487867331	0	0	0	0	0	0
"C112733069"	"112733-06-9"	"Zenarestat"	"DSSTox_47296"	0	0	0	0	0	0	0	0	0	0	0	10.1858002013104	0	0	0	0	0	0
"C112801"	"112-80-1"	"Oleic acid"	"DSSTox_25809"	0	0	0.174157226978825	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.81775220985763
"C112809515"	"112809-51-5"	"Letrozole"	"DSSTox_23202"	0	6.7030640020253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C113136779"	"113136-77-9"	"Cyclanilide"	"DSSTox_32600"	0	0	0	0	0	0	0	0	0	0	0	0	-1.56145527028299	0	0	-2.76541260040339	-0.892170507824696	0
"C1134232"	"1134-23-2"	"Cycloate"	"DSSTox_32356"	0	0	0	0	0	0	0	0	0	0	0	5.54622999273901	8.5650748864919	0	0	15.1263941705419	0	0
"C113484"	"113-48-4"	"MGK-264"	"DSSTox_32562"	0	0	0	0	0	0	-0.0277489386848695	-1.49271961442339	0	-2.5273206451407	0	-1.98592209778177	0	0	0	0	-2.51923150482541	-2.6647844771394
"C113734182"	"113734-18-2"	"CP-114271"	"DSSTox_47274"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C114078"	"114-07-8"	"Erythromycin"	"DSSTox_22991"	0	0	0	0	0	0	0	0	0	8.35665491715818	4.51946628909336	0	0	0	0	0	0	0
"C114261"	"114-26-1"	"Propoxur"	"DSSTox_21948"	0	0	0	0	0	0	0	0	0	0	0	0	11.6504273425584	0	0	17.7794016861737	0	0
"C114311329"	"114311-32-9"	"Imazamox"	"DSSTox_34664"	0	0	0	0	0	0	0	0	0	5.66662573375065	2.58342559076102	0	0	0	0	7.3227336548119	0	0
"C1143380"	"1143-38-0"	"Anthralin"	"DSSTox_24538"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.06754655768887
"C114369436"	"114369-43-6"	"Fenbuconazole"	"DSSTox_32548"	0	0	0	0	0	0	0	0	0	-1.62041485964926	-1.63564787038679	2.73130574955046	0	0.200596817598043	0	12.7043436819299	-0.481020051459461	-1.05345306717547
"C115286"	"115-28-6"	"Chlorendic acid"	"DSSTox_20268"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.01008880380995	0	0
"C115297"	"115-29-7"	"Endosulfan"	"DSSTox_20560"	0	0	0	0	0	2.13400788086207	0	1.56203553847836	2.50402108155722	2.01421085571361	3.18642488765752	4.47690433598117	4.88451663889869	-0.2354437517836	0.97272585623503	0	-1.59848960607607	-1.13814995855835
"C115322"	"115-32-2"	"Dicofol"	"DSSTox_20450"	0	0	0	1.10905596595978	0.453343476426233	0.169657435368592	0.0635672480884065	1.11236458404778	0.694982399498424	0.0666246744658298	1.01392590531959	3.64269704961457	4.65214171611636	-1.21810777639143	0	0	-1.58293599191724	-2.08995041961351
"C115399"	"115-39-9"	"Bromophenol blue"	"DSSTox_41682"	0	0	5.26230989991389	1.89710216797278	4.41252431439537	7.01604134809825	7.66773440039772	4.9843882378413	5.56794768114065	0	0	0	4.35957011341296	0	0	7.47295968024808	0	6.37885980849769
"C1156190"	"1156-19-0"	"Tolazamide"	"DSSTox_21358"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.63111952449322	4.02736930843028	0	0
"C115775"	"115-77-5"	"Pentaerythritol"	"DSSTox_26943"	0	9.4912979337099	0	0	0	0	0	0	0	0	0	0	8.20761197767336	0	0	0	0	0
"C115866"	"115-86-6"	"Triphenyl phosphate"	"DSSTox_21952"	0	0	0	0.509715655572968	2.73218613962805	0.448763865303071	1.93586601497209	0.605922112145893	2.89746998510319	1.61831356245249	1.51498218008159	4.74645156765367	1.10690872845369	-4.07814754921158	1.02441960027877	1.52609176769455	0	0
"C115957"	"115-95-7"	"Linalyl acetate"	"DSSTox_26946"	6.63372762663863	7.5738186212572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C115968"	"115-96-8"	"Tris(2-chloroethyl) phosphate"	"DSSTox_21411"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.82833557347713	5.87213356407461	0	0
"C116029"	"116-02-9"	"3,3,5-Trimethylcyclohexanol"	"DSSTox_41815"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.65715321229671	0	0
"C116063"	"116-06-3"	"Aldicarb"	"DSSTox_39223"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.31762245829413	0	0	0
"C116255482"	"116255-48-2"	"Bromuconazole"	"DSSTox_32531"	0	4.45215574458463	0	0	0	0	6.64568213871529	0	0	6.83047846320804	5.04015219842613	7.23470305908084	10.4157138264892	4.29120487753481	0	6.39269118139358	4.02509847222434	3.71402265580756
"C116256"	"116-25-6"	"1-(Hydroxymethyl)-5,5-dimethylhydantoin"	"DSSTox_35152"	0	0	0	0	1.11139399715652	0	1.34619755812806	0	1.00629854991513	0	-0.488431668824972	0.442118672292116	-0.735522297713462	0	1.39399179586518	0	0	0
"C1166525"	"1166-52-5"	"Dodecyl gallate"	"DSSTox_48189"	0	0	2.17181994401587	0.977619491299379	0	1.61455228788179	0	2.43519626720509	0	-0.927754312061242	0.963063780537446	2.32527182629167	0	-0.706433688391842	0	0	0.773380096415906	0.0686979852821845
"C116714466"	"116714-46-6"	"Novaluron"	"DSSTox_34773"	0	0	0	0	0	0	0	0	0	6.09249297230137	0	0	0	5.77896277921249	0	8.26723888894269	0	0
"C117088"	"117-08-8"	"Tetrachlorophthalic anhydride"	"DSSTox_26102"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.24699942764824	3.46821489947296	0
"C117337196"	"117337-19-6"	"Fluthiacet-methyl"	"DSSTox_32556"	0	0	0	0	0	0	0	0	0	0	0	0	3.86909048992922	0	0	6.45257246271071	0	0
"C117395"	"117-39-5"	"Quercetin"	"DSSTox_21218"	0	0	0	0	0	2.20514206500004	-0.210803915818034	0	0.160033433312281	-1.02364919113462	-3.27395107122795	-0.101021138644603	-1.06099681225659	-3.04852949299038	-2.58194212068283	-0.823477207368238	-2.924925086401	0
"C117428225"	"117428-22-5"	"Picoxystrobin"	"DSSTox_47542"	0	0	0	-2.09232824436208	0	-0.637988807915122	0	-2.07966913337195	0	-1.00041940844434	1.12440608504463	0	0	3.42088674561233	0	-0.692402103208644	-3.41096604066126	2.13560919041502
"C117718602"	"117718-60-2"	"Thiazopyr"	"DSSTox_32488"	0	0	0	-0.445905309393437	0	0.389480810508124	0.758191799813004	-0.695567303233989	0.882951234964215	0.453283337738717	0.259446934257056	0.633389051603546	1.39667731232356	0	-0.977840821138744	0.559244063357985	0	0
"C117793"	"117-79-3"	"2-Aminoanthraquinone"	"DSSTox_20068"	0	0	0	0	0	0	0	0	0	0.00495281344628107	-2.38625152498335	0.238590263371048	0.833942830460818	0	5.32218764616488	-1.63043783829231	0	0
"C117806"	"117-80-6"	"Dichlone"	"DSSTox_20425"	0	0	0	0	0	0	0	0	0	-1.82392975144628	-0.513610740181322	3.67454643051597	2.1607338545524	-1.575564905716	0	12.5131110213819	-1.15309805281922	-1.2663849734425
"C117817"	"117-81-7"	"Di(2-ethylhexyl) phthalate"	"DSSTox_20607"	1.41461599699529	0.71386650334066	0	-3.13894102528706	-0.411831207469928	-3.27764015103577	-0.397035602880362	-2.17569709199861	0.200336668373221	-0.618349398735113	-0.0874217109083964	0	0	0	0	1.24645780840311	1.40388571309266	0
"C117840"	"117-84-0"	"Dioctyl phthalate"	"DSSTox_21956"	0	0	14.5152771707696	0	4.06135405697608	0	0	0	0	0	0	0	0	15.8537617600193	0	4.20732007469896	8.28965418529011	0
"C117997"	"117-99-7"	"2-Hydroxybenzophenone"	"DSSTox_47879"	0	0	0	5.30895600046024	0	5.87335689650449	4.53946309093911	4.40892491634141	5.25411524079541	0	0	7.00171831998633	6.17652297219635	0	0	0	0	0
"C118134308"	"118134-30-8"	"Spiroxamine"	"DSSTox_34212"	0	0	0	0	3.33082670105698	0	-0.435209150889924	0	0	7.57051585234395	5.3093843121086	0	6.01678518552829	0	0	11.221731615305	0	0
"C118478"	"118-47-8"	"1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-"	"DSSTox_41273"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.35179570596705	0	0
"C118525"	"118-52-5"	"1,3-Dichloro-5,5-dimethylhydantoin"	"DSSTox_24985"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.08033578678698	0	0
"C118558"	"118-55-8"	"Phenyl salicylate"	"DSSTox_21957"	0	0	0	1.15476600626955	0	1.16564914011742	1.16222198128164	1.18722499567169	0	0	0	0	0	0	0	0	0	0
"C118569"	"118-56-9"	"3,3,5-Trimethylcyclohexyl salicylate"	"DSSTox_26241"	0	0	0	4.6210041558745	0	4.81460166691176	5.63650974686968	5.708053593433	6.48476770877098	7.25734197426147	6.64618993109729	6.66629924629521	7.01041996191399	4.15761307708876	0	0	0	0
"C118581"	"118-58-1"	"Benzyl salicylate"	"DSSTox_24598"	0	0	0	5.45394256645156	4.04772946495022	5.07422342107584	4.81210586859808	4.49926491004032	4.52627163054521	0	4.29027387834542	5.43066984357471	4.10853112623605	0	3.82370979340806	0	0	0
"C118718"	"118-71-8"	"Maltol"	"DSSTox_25523"	0	8.53775806348162	0	0	0	0	0	0	0	4.94615296706571	0	0	0	0	0	4.95464227072672	0	0
"C118796"	"118-79-6"	"2,4,6-Tribromophenol"	"DSSTox_21959"	0	0	16.0015851344419	0	0	0	0	0	0	0	0	8.80829594803007	6.65167335756467	0	5.85657441774529	0	4.38317728291236	0
"C118821"	"118-82-1"	"4,4'-Methylenebis(2,6-di-t-butylphenol)"	"DSSTox_22411"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.05876466452794	0	0	0
"C1189088"	"1189-08-8"	"1,3-Butyleneglycol dimethacrylate"	"DSSTox_44784"	0	0	0	6.04014982538806	0	0	0	0	0	0	0	0	0	0	0	20.6130467439304	0	0
"C118934"	"118-93-4"	"2-Hydroxyacetophenone"	"DSSTox_40285"	0	0	0	0	0	0	0	0	0	2.76176466395254	0	0	0	0	4.50964688816277	0	0	16.3565433862904
"C119073"	"119-07-3"	"Octyl decyl phthalate"	"DSSTox_47497"	0	0	0	0	0	0	0	0	0	4.68856155558665	4.51900402164172	0	0	0	0	6.81660110959389	8.06438984561211	0
"C1191500"	"1191-50-0"	"Sodium myristyl sulfate"	"DSSTox_42416"	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.904799127579603	0	0	-1.17998547695854	0
"C119168773"	"119168-77-3"	"Tebufenpyrad"	"DSSTox_34223"	0	0	0	0	0	0	0	0	0	3.32977853613265	-0.523821172191343	0	0	8.49460534492519	0	11.6499219928972	-0.316983749255937	10.3503460504872
"C1192525"	"1192-52-5"	"4,5-Dichloro-3H-1,2-dithiol-3-one"	"DSSTox_32518"	0	0	0	0	3.63367303824175	0	2.53448762731095	0	3.82514325220417	0.685846228563699	0.670263813031718	0	0	-2.37574331990522	0	12.4058603545302	-1.12249559447081	0
"C119368"	"119-36-8"	"Methyl salicylate"	"DSSTox_25659"	0	0	0	0	0	0	0	0	0	0	5.32275901249672	6.45386061297522	0	0	0	0	7.25449258077092	0
"C119446683"	"119446-68-3"	"Difenoconazole"	"DSSTox_32372"	0	0	0	0	0	0	0	0	0	-3.43858100467446	0	4.84436196568441	7.54055692474546	-0.922649650266252	0	-0.7393438072971	-0.737085507659919	0.852097710085254
"C1194656"	"1194-65-6"	"Dichlobenil"	"DSSTox_32365"	0	0	0	0	0	0	0	0	0	0	0	4.12542791221353	5.29896002613872	0	0	0	0	0
"C119471"	"119-47-1"	"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)"	"DSSTox_20870"	0	0	0	0	0	0	0	0	0	-1.96504801286224	1.1668315941756	-2.75214895134723	2.1966208499405	-1.26857364177605	0	0	-0.165715732314155	-1.80616008260546
"C119515387"	"119515-38-7"	"Icaridin"	"DSSTox_34227"	0	0	0	0	12.048605520626	0	0	0	0	0	0	0	0	0	0	0	0	0
"C119539"	"119-53-9"	"Benzoin"	"DSSTox_20144"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.93486441722075	0	0
"C119619"	"119-61-9"	"Benzophenone"	"DSSTox_21961"	0	0	8.6190035149526	5.4269087150149	0	4.78264702740579	4.1726906612598	4.97270366123261	5.05350156683759	0	0	6.01673777261021	5.24869884100104	4.92954209287937	4.87833732782854	0	0	0
"C119642"	"119-64-2"	"Tetralin"	"DSSTox_26118"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.66463646365274	0	0
"C119904"	"119-90-4"	"3,3'-Dimethoxybenzidine"	"DSSTox_25091"	0	0	0	0	0	0	0	0	0	0.266980897329872	0	-2.5038905815118	-1.93261354978958	0	0	0	-2.5908877428179	-2.8709164772717
"C119937"	"119-93-7"	"3,3'-Dimethylbenzidine"	"DSSTox_24059"	0	0	0	-3.87863359898538	0	-4.54359417889212	-3.48535342617878	-4.03430016489701	-2.17477538345318	-4.73178336806797	-4.05989520561388	-1.1495780910317	-2.04391968718001	-4.39578343818928	-3.66094469109174	-3.0161060843127	0	-2.81185764668624
"C120068373"	"120068-37-3"	"Fipronil"	"DSSTox_34609"	0	0	0	0	0	0	0	0	0	0	-0.909521064363881	0.320035874866666	3.33030691687451	0.25740416724765	0	0	0.260434672584431	0.277606200594531
"C120116883"	"120116-88-3"	"Cyazofamid"	"DSSTox_34492"	0	0	0	0	0	0	0	0	0	0	0	0	0.743067099226705	2.07264642625636	0	1.0978768577057	-0.642639574112834	-1.71448478418579
"C120127"	"120-12-7"	"Anthracene"	"DSSTox_23878"	0	0	0	0	0	0	1.06976684037969	2.69236851602406	1.34897716521812	0.764862888862185	2.09697768515768	2.94787836521953	5.08236159609555	0	1.50157191544514	0.807521459555045	0	0
"C120149"	"120-14-9"	"Veratraldehyde"	"DSSTox_26285"	0	0	0	0	0	0	0	0	0	2.53764958662322	5.22952249947548	4.36863491078012	6.64098376476166	0	2.49553984828637	7.3266085310393	0	0
"C120183"	"120-18-3"	"Naphthalene-2-sulfonic acid"	"DSSTox_44788"	0	0	0	0	6.24669134717567	0	0	0	0	0	0	0	0	0	0	0	0	0
"C120321"	"120-32-1"	"Clorophene"	"DSSTox_20154"	-0.288753235115133	-0.196097456932373	0.255801186058963	0.550552670125275	0	-0.247357915099322	2.74290639301088	0.398999514437729	1.22752687667299	0	0	3.60497742820864	3.88264588306483	-1.12512716120893	0	0	-2.32965645623409	-1.57448874213208
"C120365"	"120-36-5"	"Dichlorprop"	"DSSTox_20440"	0	0	0	0	0	0	0	0	0	0	0	0	5.77616349452369	0	0	7.48493767844463	10.3006138352024	0
"C120467"	"120-46-7"	"1,3-Diphenyl-1,3-propanedione"	"DSSTox_41247"	0	0	0	7.24611337681694	0	4.7813267599223	5.35558143968846	5.41187106260918	0	0	3.87103150948752	7.80442149074966	8.12621790663058	4.92613045656347	6.82033732160137	4.59987616670975	4.19276945828197	0
"C120478"	"120-47-8"	"Ethylparaben"	"DSSTox_22528"	0	7.03972660271268	0	5.01432781810925	4.87262992397363	5.97267460718871	5.96256684612248	5.78942432861643	5.96959216326434	5.30141096872612	0	6.84769872219197	5.94079495041805	5.16172551429677	3.52859133125668	8.22604748615485	0	0
"C120511731"	"120511-73-1"	"Anastrozole"	"DSSTox_22607"	15.1563929718422	0	6.56784665083813	0	0	0	0	0	0	3.28217157501292	4.0001652388796	0	0	7.43431473661112	5.4736093377183	7.34694459844026	0	0
"C120514"	"120-51-4"	"Benzyl benzoate"	"DSSTox_29153"	0	0	0	5.17492876271259	0	4.70538883592868	4.79036291417659	4.50796857296615	4.47388732521705	0	0	0	0	0	0	15.1570421581966	0	0
"C120558"	"120-55-8"	"Diethylene glycol dibenzoate"	"DSSTox_26967"	0	0	0	-2.88902893579306	0	-2.50598591373847	-2.17120688299577	0	-1.32807404082054	0	0	0	0	0	0	0	0	0
"C120569"	"120-56-9"	"Triethylene glycol dibenzoate"	"DSSTox_29611"	0	0	0	0	0	0	1.89710208164572	0	0	0	0	10.4956334695092	12.2321187882593	0	0	8.20938258266721	0	0
"C120616"	"120-61-6"	"Dimethyl terephthalate"	"DSSTox_20498"	0	0	0	0	0	0	0	0	0	0	5.65560182347797	0	0	0	0	0	19.340503394841	0
"C120650"	"120-65-0"	"2-((Dimethylamino)methyl)phenol"	"DSSTox_41293"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.40584978319011	9.02053136787549	0	15.1305716215347
"C120718"	"120-71-8"	"2-Methoxy-5-methylaniline"	"DSSTox_20350"	0	0	0	0	0	0	0	0	5.70134078674021	0	0	0	0	0	4.81798076387369	0	20.3385417935166	0
"C120729"	"120-72-9"	"Indole"	"DSSTox_20737"	0	0	0	0	0	0	0	0	0	0	0	5.43070354020059	6.35537241891902	0	18.597398166081	0	7.35829045542614	2.07071534227113
"C120809"	"120-80-9"	"Catechol"	"DSSTox_20257"	0	0	0	0	0	0	0	-2.65295113953801	0	0	0	-3.79627102744173	-1.53945401900245	-3.42594031195041	-3.9407281506099	0	0	0
"C120821"	"120-82-1"	"1,2,4-Trichlorobenzene"	"DSSTox_21965"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.48359575255494	0	0
"C120832"	"120-83-2"	"2,4-Dichlorophenol"	"DSSTox_20439"	6.78105362695663	0	7.70517223559863	0	0	5.4020247799431	0	4.39678877109813	5.48000364199589	0	0	4.48237145309315	4.12617345715144	0	0	0	0	0
"C120923"	"120-92-3"	"Cyclopentanone"	"DSSTox_29154"	0	0	0	4.59465329357428	0	0	0	0	0	0	4.73814759196955	0	0	0	0	0	0	0
"C120956"	"120-95-6"	"2,4-Bis(2-methylbutan-2-yl)phenol"	"DSSTox_26974"	0	0	0	0	0	3.0023223046018	0.183329951582242	2.40629705062763	2.93943645593169	-2.32685881681226	0	-0.811608728132828	0	0	0	0	-0.458466159064183	-1.65664299319297
"C121006"	"121-00-6"	"2-tert-Butyl-4-methoxyphenol"	"DSSTox_40788"	0	0	0	0	-0.618728007932037	-0.365998426866894	-0.0996563376314752	0.714047597832634	-0.2843729697923	0	0	1.21985367857425	0.665959141668593	12.5275098839659	0	3.73310121711403	0	-1.00776536496578
"C12108133"	"12108-13-3"	"Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-"	"DSSTox_27738"	0	0	0	0	7.48739921686163	0	0	0	0	0	0	0	0	0	0	16.9098694126165	0	0
"C121142"	"121-14-2"	"2,4-Dinitrotoluene"	"DSSTox_20529"	0	0	0	0	0	0	0	0	0	9.5053830503071	0	0	0	0	0	7.11262815572367	0	0
"C121324"	"121-32-4"	"3-Ethoxy-4-hydroxybenzaldehyde"	"DSSTox_21968"	0	0	0	0	0	0	0	0	6.07185867609525	0	0	0	0	0	4.96272638892236	0	0	0
"C121335"	"121-33-5"	"4-Hydroxy-3-methoxybenzaldehyde"	"DSSTox_21969"	0	5.2672989475474	6.96346590919828	0	0	0	0	0	0	0	0	0	0	0	3.06129448802486	7.58470833798165	0	0
"C121391"	"121-39-1"	"Ethyl 3-phenylglycidate"	"DSSTox_25886"	0	0	0	0	0	0	0	0	0	7.60125844256769	0	0	0	0	0	0	13.80711833849	4.17285317878117
"C1214397"	"1214-39-7"	"N-Benzyladenine"	"DSSTox_32630"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.96650830001341
"C121552612"	"121552-61-2"	"Cyprodinil"	"DSSTox_32359"	0	0	0	-0.50223859101677	0	1.43243142082129	0	-1.28843410664641	0	-1.82845178397603	0	1.19642748076331	2.06553284332103	0	0.161038467088504	0	0	0
"C121697"	"121-69-7"	"N,N-Dimethylaniline"	"DSSTox_20507"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C121755"	"121-75-5"	"Malathion"	"DSSTox_20791"	0	0	0	0	0	0	0	0	0	0	0	-1.927749873556	-1.85703342656631	0	0	0	0	0
"C121799"	"121-79-9"	"Propyl gallate"	"DSSTox_21201"	0	0	0.185198252299064	-2.90967250209256	0	-2.78065175216626	-1.55150983266337	-2.09304966575246	-1.01557350066666	-2.47147544344184	0	-0.774346012333285	-0.84226086089968	-3.46030292514693	-3.49366516369172	0	0	0
"C121915"	"121-91-5"	"1,3-Benzenedicarboxylic acid"	"DSSTox_21485"	0	0	0	0	20.8762396413195	0	0	0	0	0	0	0	0	0	4.13237643438775	0	0	0
"C1219381"	"1219-38-1"	"Octylparaben"	"DSSTox_47957"	2.11142399113742	4.35744313653337	5.16407881134096	1.10816847676028	3.13002683449861	2.30307163445119	3.9203728181152	2.61205381346097	3.68473637832272	4.02401701426791	2.96486728865091	3.25348400013098	3.38112969492728	-0.157622525270402	2.0586776891373	4.72985602066344	-0.971894495803569	0
"C122008859"	"122008-85-9"	"Cyhalofop-butyl"	"DSSTox_34503"	0	0	0	0	0	0	0	0	0	0	6.42041423059237	0	8.07713887691099	0	0	0	5.13890747279887	0
"C122145"	"122-14-5"	"Fenitrothion"	"DSSTox_32613"	0	0	0	0	0	0	-0.880137581985919	-0.854107474444977	-0.99429119391227	0	0	0.317004217227349	1.23331042837996	-1.52003785027299	0	0	-2.08856240245473	0
"C122203"	"122-20-3"	"Triisopropanolamine"	"DSSTox_21415"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12.9292146464316	0	0	0
"C122349"	"122-34-9"	"Simazine"	"DSSTox_21268"	14.0183291820701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C122394"	"122-39-4"	"Diphenylamine"	"DSSTox_21975"	0	0	0	0	0	5.09803236915489	5.72929009313129	4.94355432067317	5.9138414753121	0	0	5.02695293451094	4.86238998032916	0	0	15.210019974341	0	0
"C122407"	"122-40-7"	"Pentylcinnamaldehyde"	"DSSTox_29157"	0	0	0	0	0	0	4.57721566666218	5.09527572998314	5.78181817493936	9.7910672414935	0	6.10060473841929	5.63309716773538	4.56617776351263	4.69693466058767	0	0	0
"C122429"	"122-42-9"	"Propham"	"DSSTox_20766"	8.38648504004571	9.51848582221581	8.53216962031096	0	0	0	0	0	0	0	1.89710216522115	0	0	0	5.15431388637282	0	0	0
"C122453730"	"122453-73-0"	"Chlorfenapyr"	"DSSTox_32533"	0	0	1.73302083490607	-0.793096419925452	0	0.0865486233328996	0	-0.0327681112952169	0	0	2.93437236447622	0	0	4.9492553274217	0	2.00021412964813	0	2.1949035084764
"C122510"	"122-51-0"	"Ethyl orthoformate"	"DSSTox_41957"	0	0	0	0	0	0	0	0	5.74663867164971	0	0	0	0	0	0	0	0	0
"C122576"	"122-57-6"	"Methyl styryl ketone"	"DSSTox_25662"	0	0	0	0	7.93318713365251	0	0	0	0	0	0	6.45933429715943	5.42825167837576	0	4.17875846845869	0	0	0
"C122667"	"122-66-7"	"1,2-Diphenylhydrazine"	"DSSTox_20710"	0	0	0	14.094396662675	0	15.9261867176371	0	0	0	0	0.454659699547598	0.424861046780332	1.89001718411276	0	-2.43759394531133	0	0	0
"C122781"	"122-78-1"	"Phenylacetaldehyde"	"DSSTox_21483"	0	0	0	0	0	0	0	0	0	0	3.62089747162675	7.43221710836827	6.02018302778066	0	4.44278728022284	18.0822928272816	4.08588832585816	0
"C122836355"	"122836-35-5"	"Sulfentrazone"	"DSSTox_32645"	0	0	0	0	0	0	0	0	0	5.75758313892684	0	0	0	0	0	0	0	0
"C122883"	"122-88-3"	"4-Chlorophenoxyacetic acid"	"DSSTox_34282"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C122996"	"122-99-6"	"2-Phenoxyethanol"	"DSSTox_21976"	0	0	0	0	0	0	0	0	0	0	0	0	0	15.6722499242962	4.3972879993215	9.75647084316552	0	0
"C123002"	"123-00-2"	"4-Morpholinepropanamine"	"DSSTox_41521"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C123057"	"123-05-7"	"2-Ethylhexanal"	"DSSTox_25291"	0	0	0	0	0	0	0	0	0	19.980718195229	0	0	0	0	3.79712595552785	0	0	0
"C123079"	"123-07-9"	"4-Ethylphenol"	"DSSTox_21977"	0	0	0	7.07544248739214	0	4.80825999932515	4.15833854575238	3.96193042797718	4.90608217044121	11.3696511274793	8.96079467981973	4.29558640993779	2.98486706596515	0	3.99401992648837	0	0	0
"C123115"	"123-11-5"	"4-Methoxybenzaldehyde"	"DSSTox_26997"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.06390733207002	0	0	0
"C123122554"	"123122-55-4"	"Candoxatril"	"DSSTox_47286"	0	0	0	0	0	0	0	0	0	5.88039912678275	0	0	0	0	0	0	0	0
"C123171"	"123-17-1"	"2,6,8-Trimethyl-4-nonanol"	"DSSTox_29159"	0	0	0	0	6.89291311455773	0	0	0	0	0	0	3.59639271000096	0	0	0	24.8406799916127	0	0
"C123251"	"123-25-1"	"Diethyl butanedioate"	"DSSTox_38732"	0	0	0	0	0	0	0	0	0	0	0	0	0	10.1934090084695	0	0	0	0
"C123312890"	"123312-89-0"	"Pymetrozine"	"DSSTox_32637"	0	0	0	0	0	0	0	0	0	9.55308041213301	0	0	12.2444715803153	5.13432259126765	5.7390857344693	0	0	0
"C123319"	"123-31-9"	"Hydroquinone"	"DSSTox_20716"	0	0	0	0	1.35609913114525	0	2.0817065867754	0	1.13373493209834	0	0	-1.90830419009244	-0.76559911367024	-1.63862310164409	0	0	0	0
"C123331"	"123-33-1"	"Maleic hydrazide"	"DSSTox_20792"	0	0	0	0	0	0	0	0	0	0	0	0	5.94171242991798	19.2352320020683	0	0	0	0
"C123343168"	"123343-16-8"	"Pyrithiobac-sodium"	"DSSTox_32673"	0	0	0	0	0	0	0	0	0	0	0	0	13.0880385570151	0	0	4.39861611505216	0	0
"C123353"	"123-35-3"	"Myrcene"	"DSSTox_25692"	0	0	0	0	0	0	0	0	0	5.76047383496517	0	0	0	0	5.07758034698788	0	0	0
"C123422"	"123-42-2"	"Diacetone alcohol"	"DSSTox_24917"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.703612588147914	0	0
"C123660"	"123-66-0"	"Ethyl hexanoate"	"DSSTox_21980"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.5543383777832	0	0
"C123773"	"123-77-3"	"Azodicarbonamide"	"DSSTox_24553"	0	0	0	0	0	0	0	0	7.53309687983212	6.79883833826326	0	0	0	0	0	0	0	0
"C123922"	"123-92-2"	"3-Methylbutyl acetate"	"DSSTox_25453"	0	0	0	0	0	0	0	0	0	3.30751250775236	0	0	0	0	0	0	0	0
"C123966"	"123-96-6"	"2-Octanol"	"DSSTox_27014"	0	5.26306159909297	0	0	0	0	0	0	0	5.76164503508127	0	0	0	0	0	7.53029727176528	0	0
"C123999"	"123-99-9"	"Nonanedioic acid"	"DSSTox_21640"	14.9237021000023	0	0	0	0	0	0	0	0	0	0	0	0	0	5.35199430016538	0	0	0
"C124049"	"124-04-9"	"Hexanedioic acid"	"DSSTox_21605"	0	0	0	0	0	0	0	0	0	7.30381275146094	0	0	0	0	0	0	0	0
"C124072"	"124-07-2"	"Octanoic acid"	"DSSTox_21645"	0	0	0	4.86595693175957	5.36874929944174	4.93678522086813	6.86085505730776	4.73425252888616	6.36617889029623	0	6.28148884289283	0	0	0	0	0	0	0
"C124094"	"124-09-4"	"1,6-Hexanediamine"	"DSSTox_24922"	0	0	0	0	5.94127028810758	0	0	0	0	0	0	0	0	0	0	0	15.1783598176126	9.03261929240811
"C124130"	"124-13-0"	"Octanal"	"DSSTox_21643"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.98559468726812	0
"C124185"	"124-18-5"	"Decane"	"DSSTox_24913"	0	0	0	0	0	0	0	0	0	5.55585923261406	5.83285577472018	0	0	0	0	0	4.85267995011654	0
"C1241947"	"1241-94-7"	"2-Ethylhexyl diphenyl phosphate"	"DSSTox_25300"	0	0	0	1.8251467178967	1.27033848576298	1.45539734872027	0.989273181154336	1.75472426340922	2.53059656782368	1.24940103587383	1.15020568619443	5.21246705502952	2.06943905220584	-0.686447807603399	-2.0004384779009	12.5798082831357	0	0
"C124196"	"124-19-6"	"Nonanal"	"DSSTox_21639"	0	10.0987806260737	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.36567072029466	0
"C124221"	"124-22-1"	"1-Dodecanamine"	"DSSTox_21984"	0	0	0	0	6.00502705209274	0	4.91297288267689	3.03098707268348	5.41797405615038	7.02149275518442	5.44285071846839	0	4.28733319985196	10.1560167070636	1.34811300837914	4.77456998016718	0	0
"C12427382"	"12427-38-2"	"Maneb"	"DSSTox_20794"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.55053932294749	1.46226437549049	0	0
"C124378774"	"124378-77-4"	"Enadoline"	"DSSTox_47258"	0	0	0	0	0	0	0	0	4.90719055098357	8.87293764316553	0	0	0	0	0	0	18.3637473213725	0
"C124403"	"124-40-3"	"Dimethylamine"	"DSSTox_24057"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15.2491766066982	0	0
"C124495187"	"124495-18-7"	"Quinoxyfen"	"DSSTox_34881"	0	0	0	0	0	0	0	0	0	0	-0.992195836032908	0	2.59410715479787	0	0	0	-2.15442437038484	0
"C124685"	"124-68-5"	"2-Amino-2-methylpropan-1-ol"	"DSSTox_27032"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124765"	"124-76-5"	"Isoborneol"	"DSSTox_42060"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124947"	"124-94-7"	"Triamcinolone"	"DSSTox_40742"	0	5.5198678881992	0	0	20.9414126888135	0	0	0	0	7.05512669642601	13.207932722329	5.14781168926221	6.36630132504802	5.73346552345257	5.03843974011938	8.13897328779192	0	0
"C125116236"	"125116-23-6"	"Metconazole"	"DSSTox_34497"	0	5.44952993971238	7.94748486325142	0	0	0	6.49920720845957	7.32273962767141	6.53817584961536	0	4.14589893511171	8.1879651021558	8.18808679809896	3.10087389515086	0	17.8855877428298	4.38055781784462	3.93352446367247
"C125122"	"125-12-2"	"Isobornyl acetate"	"DSSTox_42061"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.46887446498116	18.9027120515861	0	0
"C125225287"	"125225-28-7"	"Ipconazole"	"DSSTox_34674"	0	1.02223051452153	0	0	0	0	0	4.70830659140583	0	-0.678501878404364	0	7.64371828954195	7.5903100508023	0	0	0	0.984316470750495	-0.201874064012561
"C125401925"	"125401-92-5"	"Bispyribac-sodium"	"DSSTox_34383"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C125848"	"125-84-8"	"Aminoglutethimide"	"DSSTox_22589"	0	0	0	0	0	0	0	0	0	3.96900384487279	0	0	0	16.8228198552312	2.07071554945532	0	5.78387180946965	0
"C126001"	"126-00-1"	"Diphenolic acid"	"DSSTox_22436"	6.85350324287575	8.36680357261584	7.64434335556024	4.67324985784003	4.77246814939851	4.9721371447421	4.66890678863457	5.46689207375362	4.92276591374948	5.49312933915158	4.77216371439481	6.84541645167072	6.68151855066453	5.37951589965671	5.22598497711397	4.22308198782003	4.29768061839375	0
"C1260179"	"1260-17-9"	"Carminic acid"	"DSSTox_22817"	0	0	0	5.5074106085809	3.73681582930777	6.03469372432562	0	0	0	0	0	0	0	0	0	0	0	4.69004801233191
"C126067"	"126-06-7"	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	"DSSTox_29162"	0	0	14.6741945910009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C126114"	"126-11-4"	"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"	"DSSTox_27034"	0	0	0	-1.5433157933854	0	0	0	0	0	0	0	0	0	0	0	-0.501008353078666	0	0
"C126147"	"126-14-7"	"Sucrose octaacetate"	"DSSTox_42423"	0	0	0	0	0	0	0	0	0	0	0	0	0	11.9983778741871	0	14.2296755409421	0	0
"C126307"	"126-30-7"	"2,2-Dimethylpropane-1,3-diol"	"DSSTox_27036"	0	0	0	0	0	0	0	0	3.96971248158558	0	0	0	0	5.06347815286775	5.08896523720788	0	0	0
"C126727"	"126-72-7"	"Tris(2,3-dibromopropyl) phosphate"	"DSSTox_21413"	0	0	0	0	0	0	0	0	0	0	11.2444544203749	7.6642936649272	0	6.41737005616922	5.47704191947159	0	4.92160828486948	4.55527497040572
"C126738"	"126-73-8"	"Tributyl phosphate"	"DSSTox_21986"	0	0	0	0	0	0	0	0	0	7.45939464475664	5.88092706058729	7.25237037746895	8.08716653499768	4.43236488065607	5.06585484661633	0	0	0
"C126833178"	"126833-17-8"	"Fenhexamid"	"DSSTox_32549"	0	0	0	-1.51335582648621	0.0415756779688512	0.000797312270170338	1.31536364129381	0.211286325062595	0.448339381385415	-0.370263449926698	-0.733248017275104	2.41524603846818	1.99666557244858	-0.79796070776703	-0.075397155272324	1.25038691079089	-1.61807200213667	0
"C126863"	"126-86-3"	"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"	"DSSTox_27041"	0	0	0	0	0	0	0	0	0	0	2.30705267637859	7.94832799534114	0	11.0973527728076	6.16557706126067	3.92853761392746	6.18701159416562	5.17688145405003
"C126921"	"126-92-1"	"Sodium ethasulfate"	"DSSTox_26033"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15.2874369220575	0	0
"C126987"	"126-98-7"	"Methacrylonitrile"	"DSSTox_24176"	0	0	0	0	0	0	3.91473453508852	0	0	0	0	3.92257626596372	0	0	0	0	6.0395042199801	0
"C127071"	"127-07-1"	"Hydroxyurea"	"DSSTox_25438"	0	0	0	0	0	0	0	0	0	4.56836865173685	0	0	0	0	0	0	0	0
"C127195"	"127-19-5"	"N,N-Dimethylacetamide"	"DSSTox_20499"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.2632914587079	0	0
"C127253"	"127-25-3"	"Methyl abietate"	"DSSTox_48190"	0	0	0	2.95519904770218	0	0	2.15523217449642	0	0	0	0.51228724651936	0.146441760491706	-1.06026249393726	0	0	0	0	0
"C127308821"	"127308-82-1"	"Zamifenacin"	"DSSTox_47257"	0	0	-0.847650240373412	-1.12110964120632	0.131747252681791	-1.32226491154324	-0.626822066102088	-1.37760528074333	-0.952835697166242	0.953814989895	2.54555323717275	3.7002895098358	0.262569402466361	0	-0.410895146731201	0	-1.91944996247008	-2.87874561259467
"C127399"	"127-39-9"	"Sodium 1,4-diisobutyl sulfosuccinate"	"DSSTox_29164"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C127413"	"127-41-3"	"alpha-Ionone"	"DSSTox_35160"	0	0	0	5.5570464377229	0	5.50482543170034	0	4.29680784832071	0	0	0	6.27849807199198	5.25711859439715	0	5.01138451286117	0	0	0
"C127479"	"127-47-9"	"Retinol acetate"	"DSSTox_21240"	0	0	0	0	0	0	0	0	0	0	0	0	5.76854231319904	0	0	0	0	0
"C127515"	"127-51-5"	"alpha-Isomethylionone"	"DSSTox_27047"	0	0	8.79434182943066	0	0	0	5.40073946875058	4.01312591302323	0	6.55478298466418	4.22024503475759	5.83730520977826	5.72257508131503	0	0	6.5012071766791	0	0
"C128041"	"128-04-1"	"Sodium dimethyldithiocarbamate"	"DSSTox_27050"	0	0	0	0	0	0	0	0	0	0	0	0	0	2.00200560877902	0	0	0	0
"C128370"	"128-37-0"	"Butylated hydroxytoluene"	"DSSTox_20216"	0	0	0	0	0	0	0	0	0	1.5713483259597	0	1.79568413775649	0	0	0	0	0	0
"C128392"	"128-39-2"	"2,6-Di-tert-butylphenol"	"DSSTox_27052"	0	0	0	0	0	0	-1.59248142966192	1.43798832933262	-1.19081328299823	-0.981302883045981	0	-0.914741183052892	0	0	0	0	0	0
"C128639021"	"128639-02-1"	"Carfentrazone-ethyl"	"DSSTox_32532"	0	0	0	0	0	0	0	0	0	5.3891810238781	-0.0700105930912216	0	-0.831572127217123	0	-0.30902599904027	0	-3.28571507485143	0
"C128950"	"128-95-0"	"1,4-Diaminoanthraquinone"	"DSSTox_41252"	0	0	0	0	0	0	0	0	0	0	0	4.0849029296857	0	8.79811120954692	13.8443762218401	0	0	0
"C129000"	"129-00-0"	"Pyrene"	"DSSTox_24289"	0	0	0	0	0	-1.48819420199674	-1.44785554363168	-1.5771173506296	-1.5091031124833	0	0	0	0	0	0	0	0	0
"C129066"	"129-06-6"	"Sodium warfarin"	"DSSTox_35010"	0	0	0	0	0	0	0	0	0	7.21974306585314	0	0	0	0	0	0	0	0
"C129179"	"129-17-9"	"Sulfan blue"	"DSSTox_26065"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12.3097766771503	0	0.935544672011358
"C129453618"	"129453-61-8"	"Fulvestrant"	"DSSTox_22369"	3.63015953248797	7.05856573727747	-0.531615010930156	5.53453304537261	5.69981321116102	6.18497727433972	4.87754396925281	8.33693302782183	7.71828806021839	10.5510683730818	9.83354644185469	0	0	10.0789286653161	0	-0.812462956021935	7.71223763556994	9.40102089340097
"C129630199"	"129630-19-9"	"Pyraflufen-ethyl"	"DSSTox_34871"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.16503423797771	0	0
"C1300727"	"1300-72-7"	"Sodium xylenesulfonate"	"DSSTox_26302"	0	0	0	0	0	0	0	0	0	0	0	0	0	7.16780588339381	0	0	0	0
"C1300738"	"1300-73-8"	"Dimethylaniline"	"DSSTox_27377"	0	0	0	0	0	0	0	0	0	0	0	0	3.87233185308634	0	0	0	0	0
"C130143"	"130-14-3"	"Sodium 1-naphthalenesulfonate"	"DSSTox_42394"	0	0	0	0	0	0	0	0	0	6.58735753767656	0	0	0	0	0	0	0	0
"C1303113"	"1303-11-3"	"Indium arsenide"	"DSSTox_23825"	0	0	0	0	0	0	0	0	0	0	0	0	0	4.18188218394122	4.74396216104314	6.77803199730305	14.4793694225845	0
"C13071799"	"13071-79-9"	"Terbufos"	"DSSTox_22254"	0	0	0	0.256897765295424	0	0.025562311406023	0	-0.477945932977927	0.193384560795408	0.184731367497394	1.12328815604646	1.09777151314444	1.61499611698115	-1.42746744006514	-0.731103118781984	0	0	0
"C131113"	"131-11-3"	"Dimethyl phthalate"	"DSSTox_22455"	0	0	8.26919824449684	0	0	0	0	0	0	0	0	0	4.8020791895627	0	0	5.86528367420481	0	0
"C131179"	"131-17-9"	"Diallyl phthalate"	"DSSTox_20392"	0	5.26508306182962	0	4.56259679939043	3.86394372352965	5.48855164783358	4.65502223490321	4.52215469452942	4.76784839190101	4.31953044576609	3.98075273232044	4.46701561285633	4.09177502630995	0	5.05448568290154	4.46206890684823	0	0
"C131180"	"131-18-0"	"Dipentyl phthalate"	"DSSTox_31131"	0	0	0	-0.827471588007911	0.29269585740754	0.132751669002083	-0.73912845406654	-0.260890633353264	-0.00997015466964213	1.7349968253925	1.47472209543386	-0.83713258070142	-1.25860947480179	11.5980893142933	0	0	0.578960192796818	0
"C131341861"	"131341-86-1"	"Fludioxonil"	"DSSTox_32398"	0	0	0	-0.874398908971618	0	-1.18086012677191	1.44759590094844	-0.871473340338786	2.0308969870597	1.29118062063326	-0.672913693829471	2.09749747577146	0.621963284115599	-0.751884146054588	1.82064051683061	0	-0.808491222291136	-2.45717885849811
"C131555"	"131-55-5"	"2,2',4,4'-Tetrahydroxybenzophenone"	"DSSTox_41306"	7.66334795654879	9.99473809475077	5.8789008028445	2.99393776261219	2.59351592225722	4.37638849214628	3.18458092911343	4.64743498258977	4.08468271017879	3.82717782823676	3.89570431714245	5.94001715196825	5.93479901853782	-0.136361334187117	1.74897558474873	5.85328367182706	0	0
"C131566"	"131-56-6"	"2,4-Dihydroxybenzophenone"	"DSSTox_22406"	7.75840218352213	10.6907735502439	10.9133400825226	6.23548782254542	6.20333682975184	8.07673275009693	6.74185105277257	9.22718200473597	8.81978974772272	8.35113417803771	7.876451501153	11.1372694012482	10.7231360881577	5.58692170523103	7.67530351599257	8.9728182680578	0	0
"C131577"	"131-57-7"	"2-Hydroxy-4-methoxybenzophenone"	"DSSTox_22405"	0	0	0	4.59678973860862	5.81371159201652	5.7222624313513	6.46999930144353	4.5464445112683	6.42042730616298	0	0	8.19887767984749	7.89880677843797	4.72459334507957	6.01144813642106	16.5558267923268	0	0
"C131704"	"131-70-4"	"Monobutyl phthalate"	"DSSTox_40002"	7.66313966380084	5.26664335957813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C13171001"	"13171-00-1"	"1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone"	"DSSTox_44536"	0	0	0	0	0	7.40980114779013	0	5.82802510825507	0	3.81481054343364	11.0930944246436	7.4894707010666	0	0	0	6.4399499386306	0	4.99644274103952
"C131807573"	"131807-57-3"	"Famoxadone"	"DSSTox_34588"	0	0	0	0	0	0	0	0	0	0	-3.16746998704596	4.68399456012162	12.4881026777495	3.99471964211848	0	0	0.21782018422324	0.188083566817971
"C131860338"	"131860-33-8"	"Azoxystrobin"	"DSSTox_32520"	0	0	0	0	0	0	0	0	0	0	-1.37681144219037	0	0	2.0020052717468	0	-0.323769684719554	-2.9963981163477	-0.773720414199578
"C13194484"	"13194-48-4"	"Ethoprop"	"DSSTox_32611"	0	0	0	0	0	0	0	0	0	0	0	4.12710290905009	5.59215117500728	0	0	17.2343385708094	0	0
"C131983727"	"131983-72-7"	"Triticonazole"	"DSSTox_32655"	0	0	-0.927853413390474	0	0	0	0	0	-3.32036126714932	0.101981816389925	2.70298853686897	-1.28201012639075	0.458661329624245	0	0	10.2778150841904	0	-5.63502941511017
"C1320076"	"1320-07-6"	"C.I. Acid Orange 24, monosodium salt"	"DSSTox_41708"	0	0	0	0	0	0	0	0	0	0	0	3.61145987439817	4.25346406537728	0	0	0	0	7.63324459219424
"C1321740"	"1321-74-0"	"Divinylbenzene"	"DSSTox_25216"	0	0	0	5.089776937309	4.46740256627597	0	0	0	4.02029396697882	0	2.25586043071905	8.35101272257279	4.36761888114309	0	0	0	0	16.0436847780867
"C1323199"	"1323-19-9"	"Sodium 2,4,7-tri(propan-2-yl)naphthalene-1-sulfonate"	"DSSTox_44537"	0	0	0	0	0	0	0	0	0	0	0	6.1391572382402	6.02499243852474	0	0	0	4.84736302737073	0
"C1323382"	"1323-38-2"	"Glyceryl monoricinoleate"	"DSSTox_42007"	0	0	0	0	4.55655794119842	0	0	0	0	0	0	6.29827628815319	5.01921479138618	0	0	7.45033847132728	4.40858373631528	0
"C13254347"	"13254-34-7"	"2,6-Dimethyl-2-heptanol"	"DSSTox_41424"	0	0	0	0	0	0	0	0	0	0	0	0	0	19.5071472268077	5.65793338748558	0	0	0
"C132649"	"132-64-9"	"Dibenzofuran"	"DSSTox_21993"	0	0	0	0	0	0	0	0	0	0	0	4.6075814893127	0	0	3.41437509001668	4.04800934693187	0	0
"C132650"	"132-65-0"	"Dibenzothiophene"	"DSSTox_47741"	0	0	0	5.31130776122428	0	5.49760535701313	4.60708119583003	4.4074789963124	5.34934032549654	0	4.58698863681196	4.49430747093017	3.5220016490824	0	4.42117931868707	6.07198688850286	0	0
"C13292461"	"13292-46-1"	"Rifampicin"	"DSSTox_21244"	8.00640411300923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.93931628454285	0
"C13301616"	"13301-61-6"	"C.I. Disperse Orange 37"	"DSSTox_44538"	0	0	0	0	4.36292448390414	0	6.49621339558324	0	0	0	0	8.15321503345132	9.1918116882517	0	0	0	6.28461597469635	0
"C133062"	"133-06-2"	"Captan"	"DSSTox_20243"	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.16085800286173	0	0	-1.45105596104407	-1.7122445719713
"C133073"	"133-07-3"	"Folpet"	"DSSTox_21385"	0	0	0	0	0	0	0	0	0	0	0.630424625896361	-0.0505703273023945	2.31910577478888	-1.71682116356625	0	0	-2.04217135635348	-1.72942970827447
"C1330785"	"1330-78-5"	"Tricresyl phosphate"	"DSSTox_21391"	0	0	0	7.38849554965074	7.69778043623297	7.45430937655933	1.89710214352661	0	0	9.61026335323963	5.36471965114681	8.87156611645646	7.27900096256386	0	14.3137146691954	0	0	0
"C1330865"	"1330-86-5"	"Diisooctyl adipate"	"DSSTox_27388"	0	0	0	0	0	0	0	0	0	3.92268954830993	0	0	0	0	0	16.1535897930932	7.71814679174252	10.6218155171469
"C13311847"	"13311-84-7"	"Flutamide"	"DSSTox_32004"	6.29632435612009	0	9.4343085187528	0	0	0	0	0	0	0	-0.470553577931329	0	0	0.929922111395737	0	-1.82924286569629	-0.52528397107957	-0.955743046124999
"C1333397"	"1333-39-7"	"Phenolsulfonic acid"	"DSSTox_27390"	0	0	8.21090880389473	0	0	0	0	0	0	0	8.09483018332213	0	0	0	0	18.7956022411795	0	0
"C1335462"	"1335-46-2"	"Ionone, methyl-"	"DSSTox_29214"	0	0	0	0	0	4.65080019679882	0	4.4136642136852	0	0	0	6.61805191868009	5.80097641993314	0	0	0	0	0
"C1338438"	"1338-43-8"	"Sorbitan, mono-(9Z)-9-octadecenoate"	"DSSTox_27397"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.62679892375366	0
"C133855988"	"133855-98-8"	"Epoxiconazole"	"DSSTox_40372"	0	0	0	6.16626284140571	5.32389564605028	6.60109973436166	5.86657887662498	6.93188569967536	6.62419123679023	7.29395023248915	6.55408935787077	10.1683468723132	0	5.8326063399149	0	13.4100693580585	4.87981889707783	4.59806115318251
"C133904"	"133-90-4"	"Chloramben"	"DSSTox_20262"	0	0	0	0	0	0	0	0	0	6.54553789129277	0	0	0	0	5.09164310532765	6.13473358111129	0	0
"C134002601"	"134002-60-1"	"CP-085958"	"DSSTox_47297"	0	0	3.70440352028837	0	0	0	0	0	0	0	0	6.38420611741891	0	11.9594659112227	-0.55090365473535	12.7317388273808	0	0
"C134032"	"134-03-2"	"Sodium L-ascorbate"	"DSSTox_20105"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1.68679771290016	2.67543061486042	0	0
"C134203"	"134-20-3"	"Methyl 2-aminobenzoate"	"DSSTox_25567"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C134316"	"134-31-6"	"8-Hydroxyquinoline sulfate"	"DSSTox_25436"	0	-7.36451465199294	0	0	0	0	-7.25942494577396	0	-7.04119384739109	0	-9.06621025453645	0	0	-9.21056104658832	0	5.63516176342013	0	0
"C134523038"	"134523-03-8"	"Atorvastatin calcium"	"DSSTox_44303"	0	0	0	0	0	0	0	0	0	6.14621229137987	0	6.69012967541891	0	0	8.88543386718682	0	6.02254039253316	0
"C134605644"	"134605-64-4"	"Butafenacil"	"DSSTox_34365"	0	0	0	0	0	0	0	0	0	2.61147101316575	0.484134236976321	0	4.10156747199408	0	0	10.7906360518672	-1.97287697907719	-1.76510825994255
"C134623"	"134-62-3"	"DEET"	"DSSTox_21995"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.30180664812791	0	0	5.01315238787289
"C13463417"	"13463-41-7"	"Zinc pyrithione"	"DSSTox_26314"	0	-5.31568942005379	0	0	-0.253822239307889	0	-0.373402041382368	0	-0.135739540927859	-0.765000579773845	-2.46324843905169	0	0	-4.76117780230033	0	1.45410467061354	0.103200373449628	-1.18833336971314
"C135080034"	"135080-03-4"	"CP-100829"	"DSSTox_47304"	-0.493493583904765	0	0	1.19590744014645	0	0	0	0	0	0	0	4.91874872397653	1.46754156005867	0	0	0	-0.617797342427725	-2.62045725093558
"C135158542"	"135158-54-2"	"Acibenzolar-S-methyl"	"DSSTox_32519"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.77115044440656	0	0	0
"C135193"	"135-19-3"	"2-Naphthalenol"	"DSSTox_27061"	5.43724005075085	7.24160366891966	5.2627485052698	3.9211772149698	1.94372653340261	5.13267647039325	4.2566359391787	5.07324846633097	4.81923984823113	3.64806852481573	4.83557148934558	7.35130894535967	6.48253924472886	4.09529021149087	4.01391741404842	4.130373489105	0	7.18606446906201
"C135206"	"135-20-6"	"Cupferron"	"DSSTox_20352"	0	0	0	0	0	0	0	0	6.44606434915392	0	0	5.37996172855536	5.94545282122348	5.41562153330252	4.91237315478289	8.23178534250212	0	0
"C135410207"	"135410-20-7"	"Acetamiprid"	"DSSTox_34300"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.85738964601254	0	0
"C136458"	"136-45-8"	"Dipropyl pyridine-2,5-dicarboxylate"	"DSSTox_32544"	0	0	0	0	0	0	0	0	0	0	0	0	5.88424175410295	0	0	0	0	0
"C136607"	"136-60-7"	"Butyl benzoate"	"DSSTox_40694"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.52100675249868	8.79849869556369	0	0
"C13674845"	"13674-84-5"	"Tris(2-chloroisopropyl)phosphate"	"DSSTox_26259"	0	0	0	0	0	0	7.44823394972476	0	0	14.0474531577712	0	7.76632671686952	9.38179061467914	0	4.75453408212712	15.0760568493265	0	0
"C13674878"	"13674-87-8"	"Tris(1,3-dichloro-2-propyl)phosphate"	"DSSTox_26261"	0	0	0	0	0	0	0	0	0	0	2.56955338379996	2.04362995066816	4.47609780237548	-1.39702772284155	0	0	-0.942095065448169	0
"C136776"	"136-77-6"	"4-Hexylresorcinol"	"DSSTox_20699"	4.73797490860555	1.78315853195084	1.91831181231619	1.85352438334025	1.06830453764808	0.92745959731782	1.33484776486885	1.3623388379444	1.25490991138141	2.63529398149949	0.714405853100753	2.87132908230332	3.27732946462279	-1.01072062626889	0.864165719585275	3.09352124443366	-1.10622035977232	0
"C13680358"	"13680-35-8"	"4,4'-Methylenebis(2,6-diethylaniline)"	"DSSTox_48191"	0	11.059212474806	0	1.76731129147078	0	1.32907680277358	4.5550005031065	0	0	0	0.367647265663289	0	4.57521077556134	0	0	10.3812107041212	0.805258749692135	0.431956607444823
"C13684565"	"13684-56-5"	"Desmedipham"	"DSSTox_34518"	0	0	14.1158675446721	0	0	0	0	0	0	0	0	0	0	0	5.64607196200981	0	0	0
"C13684634"	"13684-63-4"	"Phenmedipham"	"DSSTox_24255"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8.94406994726911	8.28489211517437	0	0
"C137268"	"137-26-8"	"Thiram"	"DSSTox_21332"	0	0	0	0	0	0	0	0	0	-4.41015447955627	-3.44861222915337	0	0	7.06036101211345	6.20066626587155	1.23667864936554	0	0
"C137304"	"137-30-4"	"Ziram"	"DSSTox_21464"	10.9314546191006	0	7.67701071500258	0	0	0	0	0	0	-1.79223681471646	0	0	0	-1.94723572074692	0	0	-1.17484626789685	-0.668767585801827
"C137428"	"137-42-8"	"Metam-sodium"	"DSSTox_29167"	0	0	0	0	5.68250341734834	0	5.54389103513498	0	6.16741966432448	0	0	0	0	0	5.23835643845783	11.3726094912261	0	0
"C13755298"	"13755-29-8"	"Sodium tetrafluoroborate"	"DSSTox_21477"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21.7604322514267	0
"C137666"	"137-66-6"	"Ascorbyl palmitate"	"DSSTox_41611"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.37189283748419	0
"C138227"	"138-22-7"	"Butyl lactate"	"DSSTox_42196"	0	0	0	0	0	0	0	0	0	8.16726552514205	0	0	0	0	0	18.3359575597008	0	0
"C138261413"	"138261-41-3"	"Imidacloprid"	"DSSTox_32442"	0	14.3778772853861	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C13826352"	"13826-35-2"	"3-Phenoxybenzenemethanol"	"DSSTox_27756"	0	0	0	4.62073730978125	4.22671697696005	5.22329683394224	4.53142931310742	4.77897843065774	4.51232698335598	0	0	7.09761455762071	6.0978210781954	4.97509573645992	4.48536110116247	6.13786094308683	0	0
"C138863"	"138-86-3"	"Limonene"	"DSSTox_29612"	0	0	0	0	0	0	0	0	6.86111728779232	0	0	0	0	0	0	0	0	0
"C139026"	"139-02-6"	"Sodium phenolate"	"DSSTox_27072"	0	7.79573623103277	15.7643249566316	0	0	0	0	0	0	4.77184022181987	4.57207088728604	0	0	0	5.27485675754859	6.26677285491942	0	0
"C139139"	"139-13-9"	"Nitrilotriacetic acid"	"DSSTox_20939"	0	0	0	0	8.3416100594954	0	0	0	0	0	0	12.0867864172206	0	0	0	0	0	0
"C139149556"	"139149-55-6"	"SB202235"	"DSSTox_47318"	0	0	0	0	0	0	0	0	0	0	0	0	0	5.48158458644664	15.702531102904	0	0	0
"C139290656"	"139290-65-6"	"Volinanserin"	"DSSTox_47363"	0	0	0	0	0	0	0.604770466573729	0	0.830211115113986	6.50895719828943	4.2049342374674	0	0	0	0	0	0	0.279059692806947
"C139340560"	"139340-56-0"	"Darbufelone mesylate"	"DSSTox_47246"	0	0	0	0	0	0	1.51863651012573	0	2.10839816062808	-2.31069661727183	-0.197131087922032	2.25101674858552	0	-1.47657760844499	0	0	-0.736145765294226	-1.90570619569339
"C139402"	"139-40-2"	"Propazine"	"DSSTox_21196"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C139877"	"139-87-7"	"Ethyl diethanolamine"	"DSSTox_41955"	0	0	0	0	7.14605800985564	0	0	0	0	0	0	0	0	0	0	0	4.98621555214055	0
"C139888"	"139-88-8"	"7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt"	"DSSTox_41530"	0	0	0	0	0	0	0	0	0	0	0	0	5.65932864810493	0	4.39073222572647	0	0	0
"C139968"	"139-96-8"	"Dodecyl sulfate triethanolamine"	"DSSTox_27076"	0	0	0	0	0	0	0	0	0	8.58550744573486	0	0	0	0	0	12.6898362083392	0	0
"C140089"	"140-08-9"	"Tris(2-chloroethyl) phosphite"	"DSSTox_26258"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C140103"	"140-10-3"	"Cinnamic acid"	"DSSTox_22489"	0	0	0	0	5.56069729787438	0	5.75233440007757	0	6.87766798805487	1.89710212046301	6.2968955034325	4.64571026069043	4.83066791700818	0	0	10.0365948323408	0	19.3316505575377
"C140114"	"140-11-4"	"Benzyl acetate"	"DSSTox_20151"	6.47371119213584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12.6382482380608	0	0
"C1401554"	"1401-55-4"	"Tannic acid"	"DSSTox_26076"	0	0	0	0	0	-3.79214965475894	-1.90000317011561	-2.44096252413511	0	0	-3.15543294577739	0	5.51471813337591	-1.41824656555079	0	0	-1.11372716131836	0
"C140318"	"140-31-8"	"1-(2-Aminoethyl)piperazine"	"DSSTox_21997"	0	0	0	13.1328480307566	5.86872233525744	0	0	0	0	0	0	12.1030589322252	6.14411787344366	0	7.82909254038297	7.7023497093858	4.12949329486495	0
"C140385"	"140-38-5"	"4-Chlorophenylurea"	"DSSTox_41512"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C140567"	"140-56-7"	"Fenaminosulf"	"DSSTox_40371"	0	0	0	0	0	0	0	0	0	-1.53483573725367	2.31244795257068	0	2.57450007796887	0	0	0	0	0
"C140647"	"140-64-7"	"Pentamidine isethionate"	"DSSTox_23796"	0	0.303423533826469	4.87610034920474	0	0	0	0	0	0	0.254675454443077	-3.37942088229652	-0.185969050768266	-0.842968121033541	-2.19721610522436	0	1.68979201478946	-0.473579237013659	-2.26458447746331
"C140669"	"140-66-9"	"4-(1,1,3,3-Tetramethylbutyl)phenol"	"DSSTox_22360"	1.27499512942935	3.57229901025334	1.6132471114001	3.54143368177864	2.92820867223045	4.14687553277385	3.77460665632287	6.0204049479171	5.06364906180633	7.38714863917226	6.52862070914986	3.46976982673703	4.49053939571254	2.9531874940707	4.84473208870917	6.39485233586464	-0.998286154348958	-2.11686149171916
"C140670"	"140-67-0"	"Estragole"	"DSSTox_20575"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.7724660761585	0	4.92267119698321	0
"C140954"	"140-95-4"	"Dimethylolurea"	"DSSTox_25141"	0	0	0	0	0	0	0	0	0	0	0	0	4.39764154981804	0	4.84073994763479	0	0	0
"C141048"	"141-04-8"	"Diisobutyl adipate"	"DSSTox_36690"	0	0	0	0	0	0	0	0	0	7.81935120318693	5.77355212303504	0	7.90664980480503	0	0	0	0	0
"C141112290"	"141112-29-0"	"Isoxaflutole"	"DSSTox_34723"	14.6618428674041	0	0	0	0	0	0	0	0	0	0	0	12.8093102200492	0	0	0	0	0
"C141220"	"141-22-0"	"9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-"	"DSSTox_41567"	0	0	6.50206952371694	0	0	0	5.54818378958031	0	0	0	3.83273939107998	6.19658309790641	0	0	0	0	5.51397647246395	3.60736319362564
"C141322"	"141-32-2"	"Butyl acrylate"	"DSSTox_24676"	0	0	0	0	0	0	0	0	0	0	0	0	2.98193102712973	0	5.18208966605721	16.2173461940757	0	0
"C141435"	"141-43-5"	"Ethanolamine"	"DSSTox_22000"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12.8057767059211	0	0
"C141517217"	"141517-21-7"	"Trifloxystrobin"	"DSSTox_32580"	0	0	0	0	0	0	0	0	0	0	0	-3.77751994797087	0	2.40176539819374	0	-1.00387863819366	-1.43389771971226	-0.289575419490682
"C141662"	"141-66-2"	"Dicrotophos"	"DSSTox_23914"	0	0	0	6.15450816795809	0	0	0	0	0	0	0	0	6.02098921667399	0	0	0	0	0
"C141797"	"141-79-7"	"4-Methylpent-3-en-2-one"	"DSSTox_29170"	0	0	0	0	5.93562801258988	1.89710207485098	6.69711456654946	5.82155516140937	8.28078508679141	6.54610406281682	8.06964823789673	0	9.20192704579676	0	0	8.15227533992621	0	0
"C142041"	"142-04-1"	"Aniline hydrochloride"	"DSSTox_20091"	0	0	0	0	0	0	0	0	7.90759847958768	0	0	0	0	0	0	0	2.26479849635271	0
"C142165"	"142-16-5"	"Bis(2-ethylhexyl) maleate"	"DSSTox_27094"	0	0	0	0	3.91490102054035	0	0	0	0	0	0	9.06644454718408	6.58254667035228	0	3.89718386463283	0	7.90289107231622	0
"C142187"	"142-18-7"	"1-Monolaurin"	"DSSTox_41275"	0	0	7.2942268841327	0	0	0	0	0	0	0	0	2.98322141149772	0	0	0	0	4.61913295286635	0
"C142314"	"142-31-4"	"Sodium octyl sulfate"	"DSSTox_36226"	0	0	0	9.98864782164949	0	0	0	0	0	0	0	7.30913844839396	7.49380203935239	0	0	18.4422357188941	0	0
"C14233375"	"14233-37-5"	"1,4-Bis(N-isopropylamino)anthraquinone"	"DSSTox_41250"	0	0	0	0	0	0	0	0	2.30987819288516	6.15312209879127	6.17950797085688	0	0	0	0	0	0	5.61552657934904
"C142459583"	"142459-58-3"	"Flufenacet"	"DSSTox_32552"	0	0	0	0	0	0	0	0	0	0.405942683948715	0	0	1.10279472616804	0.0172201320348594	0	0	-1.73264702623318	0
"C142621"	"142-62-1"	"Hexanoic acid"	"DSSTox_21607"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.28109086650034	5.26136300974867	0	0
"C142870"	"142-87-0"	"Sodium decyl sulfate"	"DSSTox_36229"	0	0	0	0	0	0	0	0	0	0	0	0	5.52166472116037	0	0	0	0	0
"C143077"	"143-07-7"	"Dodecanoic acid"	"DSSTox_21590"	12.1898092370762	0	8.21080340996258	0	0	0	0	0	0	0	0	0	0	0	0	0	5.61200730118229	0
"C143088"	"143-08-8"	"1-Nonanol"	"DSSTox_22008"	0	0	0	3.7056061432747	0	0	0	0	0	0	0	0	0	0	0	0	16.1276433710138	0
"C143226"	"143-22-6"	"2-[2-(2-Butoxyethoxy)ethoxy]ethanol"	"DSSTox_21520"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13.207963788205	0	0
"C143390890"	"143390-89-0"	"Kresoxim-methyl"	"DSSTox_32558"	6.7774772423843	11.2018030979889	14.7069937628951	4.8702586397496	4.27263383293975	6.21777325202158	4.73984512487228	6.61266661472802	4.93060080484403	6.11662353618169	7.00281575594617	9.65565231750084	4.99362814130672	8.54079065838078	0	6.09653495086803	5.18251218707754	2.84040444259073
"C1434544"	"1434-54-4"	"Pregnenolone carbonitrile"	"DSSTox_37262"	8.20308180360699	15.1366665990407	7.77287066044059	0	0	0	0	2.85655589884982	4.74385623950624	4.83885928341743	0	0	0	5.32925076409511	6.42074125775495	0	0	0
"C143500"	"143-50-0"	"Kepone"	"DSSTox_20770"	0	1.98770765911109	7.17280678681122	0	0	2.71771616753061	0.348368259384361	3.98363109588529	3.24824183026309	2.9907847172294	3.34397097517981	6.06029451307188	6.02808611637356	1.17718534381791	2.25434428406667	0	-1.56101144890702	-1.66246844810444
"C14351667"	"14351-66-7"	"Sodium abietate"	"DSSTox_42399"	0	0	7.98391397098274	0	6.53020464709589	0	6.06154401865185	0	0	0	0	5.77571191114684	0	0	0	0	4.63089306971085	0
"C14371109"	"14371-10-9"	"(2E)-3-Phenylprop-2-enal"	"DSSTox_24834"	0	0	0	0	0	0	0	0	0	0	0	6.1595818634095	6.02636796205375	4.94716206248089	4.16202917770772	0	0	0
"C143748"	"143-74-8"	"Phenol red"	"DSSTox_22408"	5.26344368626266	6.56123651407975	6.43637201453027	0	9.0416939169505	0	4.718969064418	0	4.81160637029424	4.78055323738058	5.69203951464111	6.36407478354152	4.56206059471419	3.65859672620212	4.47915812149412	2.4255786716129	0	4.44707130140281
"C144490"	"144-49-0"	"Fluoroacetic acid"	"DSSTox_41981"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.51460284521339	0	5.44105219692972
"C144550367"	"144550-36-7"	"Iodosulfuron-methyl-sodium"	"DSSTox_34673"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1445756"	"1445-75-6"	"Diisopropyl methylphosphonate"	"DSSTox_24051"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1.46219098105022	18.6010922258618	0
"C144627"	"144-62-7"	"Oxalic acid"	"DSSTox_25816"	0	0	0	0	4.69175955729588	0	6.1327126138421	0	5.96199861615829	0	6.09787966587481	0	0	0	4.08387562943164	0	0	0
"C145701219"	"145701-21-9"	"Diclosulam"	"DSSTox_34528"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C145733"	"145-73-3"	"Endothal"	"DSSTox_24081"	0	0	0	0	0	0	0	0	0	0	0	0	-2.97122569466904	-2.64012552588468	-0.535674263159523	0	-2.19782899863357	0
"C145742285"	"145742-28-5"	"CP-122721"	"DSSTox_47251"	0	0	0	0	0	0	0	0	0	-2.92537252247062	-1.07986725881511	3.0695458477745	-0.0254546420951648	0	0	0	0	-2.56730193388956
"C1459934"	"1459-93-4"	"Dimethyl isophthalate"	"DSSTox_27402"	0	0	0	0	0	0	0	0	0	0	0	5.00192179373225	4.71513457515516	0	0	18.2784022416333	0	0
"C1461229"	"1461-22-9"	"Tributyltin chloride"	"DSSTox_27403"	0	0	-4.62042609625537	0	0	0	0	0	0	-1.63423532527666	0	0	2.76895185477251	-6.36634731485809	0	0	0.476793052498331	0.981360688097159
"C1461252"	"1461-25-2"	"Tetrabutyltin"	"DSSTox_22153"	0	0	0	0	0	0	0	0	0	-1.22438731726311	0	-0.965971678628139	5.90446225796032	-1.34268650361622	0	0	0.665771783420653	0.848615061697981
"C147240"	"147-24-0"	"Diphenhydramine hydrochloride"	"DSSTox_20537"	0	0	0	0	0	0	0.078527373328532	0	0	0	0	0	0	0	0	0	-0.0344055988426534	0
"C14765301"	"14765-30-1"	"2-sec-Butylcyclohexanone"	"DSSTox_41818"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1477550"	"1477-55-0"	"1,3-Benzenedimethanamine"	"DSSTox_29649"	0	23.2516075941524	8.4869255058949	0	0	0	0	0	0	3.94522599177181	0	0	0	0	0	0	0	0
"C147819"	"147-81-9"	"Arabinose"	"DSSTox_41610"	22.4996430261283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1478611"	"1478-61-1"	"Bisphenol AF"	"DSSTox_37717"	9.21278258206912	10.9556021041526	11.4410112579131	5.31127593633978	5.78704306550441	8.33833505370955	6.80798346393876	9.68903463502154	9.36541650517187	9.31709515047355	9.08935422743262	6.99228243005182	9.18383138891275	5.4939991586006	8.7095943024976	9.20593415238093	-1.47012666115255	-1.10923211113779
"C14816183"	"14816-18-3"	"Phoxim"	"DSSTox_34324"	0	0	0	5.76488462086613	4.89807777795628	6.57570074162337	4.83508617437091	5.95913977612032	4.91851513252034	7.33405489464276	6.093768998646	9.70491745305518	8.48247000346885	5.53502088152999	4.9805305431786	8.16411626881656	0	0
"C148243"	"148-24-3"	"8-Hydroxyquinoline"	"DSSTox_20730"	0	0	0	0	0	0	0	0	0	0	0	0	-5.02600451036245	-4.44297701315023	0	0	0	0
"C148477718"	"148477-71-8"	"Spirodiclofen"	"DSSTox_34928"	0	0	0	0	0	0	0	0	0	0	0.694765754723539	0	0	6.56617628174583	-1.20242657986658	0	0	0
"C148798"	"148-79-8"	"Thiabendazole"	"DSSTox_21337"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10.1254981164772	0	0	0
"C1490046"	"1490-04-6"	"Menthol"	"DSSTox_29650"	5.80623180892466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C14901076"	"14901-07-6"	"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one"	"DSSTox_25451"	0	0	0	0	0	0	0	0	0	0	0	4.61204695673199	4.73479896324319	0	0	0	0	0
"C149062759"	"149062-75-9"	"PharmaGSID_47259"	"DSSTox_47259"	0	0	0	0	0	0	0	0	0	0	0	9.50859917476682	7.64784869946036	5.02862540364743	4.46751850430415	0	0	0
"C149304"	"149-30-4"	"2-Mercaptobenzothiazole"	"DSSTox_20807"	0	0	10.051806776391	0	0	-0.381609647169844	0	0	0	0	0	-2.32949522367727	-0.839022881202192	0	0	0	0	0
"C149575"	"149-57-5"	"2-Ethylhexanoic acid"	"DSSTox_25293"	0	0	0	0	0	0	0	0	0	4.37780984596673	6.24514102876386	0	0	0	0	4.86322919244242	0	0
"C149877418"	"149877-41-8"	"Bifenazate"	"DSSTox_32525"	0	0	0	0	0	0	0	0	0	0	-1.99296608066833	-1.34333478893532	4.95758712770676	-3.31920363758047	0	0	-2.55993832456085	-3.05914690740592
"C149979419"	"149979-41-9"	"Tepraloxydim"	"DSSTox_34252"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16.7710906443509	0	0
"C150130"	"150-13-0"	"4-Aminobenzoic acid"	"DSSTox_24466"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.08644447619262	0	0
"C15046750"	"15046-75-0"	"Sodium 2-methylbenzenesulfonate"	"DSSTox_44553"	0	0	0	0	0	0	0	0	0	0	0	0	0	18.8380079004144	0	4.32627604932556	0	0
"C150685"	"150-68-5"	"Monuron"	"DSSTox_20311"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C150765"	"150-76-5"	"4-Methoxyphenol"	"DSSTox_20828"	0	6.55029563843382	0	0	4.28010728552463	0	0	0	0	0	0	0	0	0	0	18.0646480378742	0	5.86424615314415
"C150787"	"150-78-7"	"Hydroquinone dimethyl ether"	"DSSTox_22014"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C151053"	"151-05-3"	"Dimethylbenzylcarbinyl acetate"	"DSSTox_41877"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.16224155869377	0	0
"C151213"	"151-21-3"	"Sodium dodecyl sulfate"	"DSSTox_26031"	1.60242631853744	0	0	0	0	0	0	0	0	0	-0.883918662024052	-0.243354076282102	0	0	-0.143007794660109	0	-0.897003448660213	0
"C15214898"	"15214-89-8"	"2-Acrylamido-2-methyl-1-propanesulfonic acid"	"DSSTox_27770"	0	0	0	0	0	0	0	0	0	0	20.6841414270797	0	0	0	0	0	0	0
"C15299997"	"15299-99-7"	"Napropamide"	"DSSTox_24211"	0	0	0	0	0	0	0	0	0	0	0	-2.81527857400295	-2.34610447154804	-2.61708034004716	0	0	0	-4.51018878312723
"C15307796"	"15307-79-6"	"Diclofenac sodium"	"DSSTox_37208"	0	0	1.31867806024091	0	0	0	0	0	0	0	0	0	0	0	-0.3009187119709	-1.46479869504125	-1.68087060520457	0
"C15310017"	"15310-01-7"	"Benodanil"	"DSSTox_41623"	0	0	0	0	0	0	0	0	0	0	0	7.06764790658292	5.72777566979937	0	8.72087444376733	0	0	0
"C153233911"	"153233-91-1"	"Etoxazole"	"DSSTox_34586"	0	4.12997700836648	0	0	0	0	0	0	0	0	0.124659762911028	0	8.88307054410184	0	0	0	-1.26029240431246	-3.70503075499822
"C153719234"	"153719-23-4"	"Thiamethoxam"	"DSSTox_34962"	0	0	0	0	0	0	0	0	0	0	0	0	0	14.0618959905368	5.65611215896294	0	0	0
"C1541817"	"1541-81-7"	"4-Dodecylmorpholine"	"DSSTox_42171"	0	0	0	0	0	0	5.950786859904	0	0	20.9512184854942	0	0	7.41970253563813	0	0	0	0	0
"C154427"	"154-42-7"	"6-Thioguanine"	"DSSTox_23652"	0	0	0	0	0	0	0	0	0	0	0	0	-5.02990208339279	0	0	0	-0.572720844415565	0.857129375570745
"C15499271"	"15499-27-1"	"4-Butylchlorobenzene"	"DSSTox_48192"	0	0	0	0	0	0	0	0	0	3.8570625143895	0	0	0	0	0	0	0	0
"C155569918"	"155569-91-8"	"Emamectin benzoate"	"DSSTox_34566"	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.08727548896014	0	0	0.0855737151792529	-1.80043589313657
"C1559348"	"1559-34-8"	"3,6,9,12-Tetraoxahexadecan-1-ol"	"DSSTox_27412"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.6945578136887	0	0	0
"C1559359"	"1559-35-9"	"2-(2-Ethylhexyloxy)ethanol"	"DSSTox_41920"	0	0	0	0	7.55008062241091	0	0	0	0	0	0	6.80171076711622	7.118136542442	0	0	14.7391452162566	0	0
"C155990208"	"155990-20-8"	"SR271425"	"DSSTox_47347"	0	0	3.46441613997256	0	0	0	0	0	0	0	0	3.35301956076436	3.8348173439642	-3.06239783246199	2.21659537368191	0	-2.93336160799867	0
"C156052685"	"156052-68-5"	"Zoxamide"	"DSSTox_32581"	0	0	0	0	0	0	0	0	0	-1.21288009257354	0.537688007286789	0	0	-0.918888059653198	-0.437663707769659	0	-0.42875396725355	0
"C156105"	"156-10-5"	"4-Nitrosodiphenylamine"	"DSSTox_21031"	0	1.44507063882441	-0.356376890442419	0	0	0	0	0	0	0.370366396184991	-0.393209244909242	-0.0312871247899761	0	-1.13724216158623	-0.42460210842592	0	0	0
"C1563388"	"1563-38-8"	"2,3-Dihydro-2,2-dimethyl-7-benzofuranol"	"DSSTox_27414"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.45015902319903	18.3179696098355	0	0
"C1563662"	"1563-66-2"	"Carbofuran"	"DSSTox_20249"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.4719108351689	0	0	0
"C156434"	"156-43-4"	"4-Ethoxyaniline"	"DSSTox_25864"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19.087544531947	0	4.34045429831841	0
"C156605"	"156-60-5"	"(E)-1,2-Dichloroethylene"	"DSSTox_24031"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1569013"	"1569-01-3"	"1-Propoxy-2-propanol"	"DSSTox_29217"	0	0	0	0	0	0	0	0	0	4.06972072725633	0	0	0	0	0	0	0	0
"C1569024"	"1569-02-4"	"1-Ethoxy-2-propanol"	"DSSTox_41267"	0	0	5.57320897110657	0	0	0	0	0	0	0	0	0	3.37434456439675	0	4.08107784597755	0	0	0
"C1570645"	"1570-64-5"	"4-Chloro-2-methylphenol"	"DSSTox_22510"	0	0	0	5.70597935108235	3.75362693617353	4.89816731423093	4.96660021814346	4.18269883105898	4.45061380353526	0	0	4.69633393945673	4.2669500516979	0	0	0	0	0
"C15708415"	"15708-41-5"	"Ethylenediaminetetraacetic acid ferric sodium salt"	"DSSTox_27774"	0	5.26296053717257	7.81274365424307	0	0	0	0	0	0	0	0	0	0	0	0	18.7991905512315	0	0
"C158081993"	"158081-99-3"	"CP-105696"	"DSSTox_47308"	0	0	2.87802995145505	0	0	0	0	0	0	0	-1.62169000362589	0	0	-2.40771705624475	0	0	-0.372995938998196	-2.4084192879553
"C1582098"	"1582-09-8"	"Trifluralin"	"DSSTox_21395"	0	0	0	0.0188810017228829	0	0	0	0	0	0.277584361530061	0.620452956546039	-0.808458153490426	5.06196400281642	0	-0.919213144454785	8.72154143580626	-1.07513215039871	0
"C159138815"	"159138-81-5"	"Cariporide mesylate"	"DSSTox_47344"	0	0	0	0	0	5.57403241744176	0	5.72112897879384	0	4.24680604118775	1.89710205201427	4.28404563038118	4.18120753528314	0	4.4693983579147	3.90852154436696	0	0
"C1596845"	"1596-84-5"	"Daminozide"	"DSSTox_20370"	0	0	0	5.45353509429201	5.84489911842511	6.01079177099115	7.15513413997971	5.20354325923619	6.72948901742646	5.00653912133133	6.30158925332002	0	0	5.19066893633718	4.68181231948714	0	0	0
"C15972608"	"15972-60-8"	"Alachlor"	"DSSTox_22265"	0	0	0	0	0	0	0	0	0	0	-1.25869958312891	0	0	0	0	0	-1.62996801572794	0
"C16079882"	"16079-88-2"	"Bromo-3-chloro-5,5-dimethylhydantoin"	"DSSTox_32591"	0	0	0	0	6.15114846263997	0	0	0	5.66261699309188	0	0	0	0	0	0	8.27583169213119	12.9995606720505	0
"C1610180"	"1610-18-0"	"Prometon"	"DSSTox_22341"	0	0	0	19.6620569649128	0	0	0	0	0	0	0	7.59060968146693	7.27062009021861	0	4.4844922114722	17.8518650165325	0	0
"C161050584"	"161050-58-4"	"Methoxyfenozide"	"DSSTox_32628"	0	0	0	0	0	0	0	0	0	0	7.70154028106789	0	0	0	0	0	0	0
"C161326347"	"161326-34-7"	"Fenamidone"	"DSSTox_34590"	0	0	0	0	0	0	0	0	0	0	-1.58904569111226	-0.42078000089759	0.377930985884768	-1.22462905516625	0	-1.45249961117674	-4.33671396404322	-0.216170008979234
"C16219753"	"16219-75-3"	"5-Ethylidene-2-norbornene"	"DSSTox_25306"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1625918"	"1625-91-8"	"4,4'-Di-tert-butylbiphenyl"	"DSSTox_48193"	0	0	0	0	6.29791035942348	0	0	0	0	0	5.37759785691623	0	0	0	0	0	0	0
"C162706141"	"162706-14-1"	"UK-156819"	"DSSTox_47309"	0	0	0	0	0	0	0	0	0	0	0	-0.0514833653055616	0	0	-1.49695392521123	0	0	0
"C1632731"	"1632-73-1"	"Fenchol"	"DSSTox_41970"	0	0	15.5317554639618	0	0	0	0	0	0	0	0	6.1808414822437	0	0	5.4047237674026	0	5.76689723361793	0
"C1634782"	"1634-78-2"	"Malaoxon"	"DSSTox_20790"	0	0	0	0	0	0	0	0	0	0	0	0	4.75199496959614	0	0	0	0	0
"C163520330"	"163520-33-0"	"Isoxadifen-ethyl"	"DSSTox_40360"	0	0	0	6.38391491553724	0	0	0	0	5.60312372822406	0	0	8.10313240362845	0	0	0	0	0	0
"C1638228"	"1638-22-8"	"4-Butylphenol"	"DSSTox_47425"	0	4.93298524639979	8.0828547037077	6.51163286363316	6.30364655521788	7.26872623524163	6.70411339987506	6.92930082019805	6.64797020376846	6.47655974335473	6.11730700916262	8.7937239935699	7.87050269947476	4.34009566257365	4.53670755299201	8.13056434051501	0	0
"C16423680"	"16423-68-0"	"FD&C Red 3"	"DSSTox_21233"	0	0	0	0	0	0	0	0	0	0	0	0	-2.07162263081338	0	0	0	0.20795909099021	0.37967146084845
"C1646759"	"1646-75-9"	"Aldicarb oxime"	"DSSTox_24431"	0	0	0	0	0	0	0	0	0	0	0	0	0	6.03758192182723	2.78407530701401	0	0	0
"C1646873"	"1646-87-3"	"Aldicarb sulfoxide"	"DSSTox_33161"	0	0	0	0	0	0	0	0	5.60330383575548	0	0	3.84163726476495	4.01677267436234	2.26479846000237	0	0	0	0
"C1646884"	"1646-88-4"	"Aldoxycarb"	"DSSTox_23862"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C165252700"	"165252-70-0"	"Dinotefuran"	"DSSTox_34549"	0	0	0	0	0	0	0	0	0	5.38068558195167	0	0	0	0	0	0	0	0
"C16587716"	"16587-71-6"	"4-(tert-Pentyl)-cyclohexanone"	"DSSTox_47127"	8.27094496552383	11.3329084700695	7.89226462705144	0	0	0	0	4.47922553776545	0	4.3094745732757	6.41481752071863	6.02037795293342	6.98566983623274	0	5.0472820817305	10.4502751467477	19.9911837861966	12.1761679187904
"C166412788"	"166412-78-8"	"Diisononyl cyclohexane-1,2-dicarboxylate"	"DSSTox_47395"	0	0	0	0	0	0	0	0	0	6.04227478735156	8.83690121434958	0	0	18.5071699631593	19.466865481562	0	7.10498778474805	0
"C16672870"	"16672-87-0"	"Ethephon"	"DSSTox_24085"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.52879097474281	16.4795300502866	0	0
"C1671756"	"1671-75-6"	"Heptanophenone"	"DSSTox_48194"	0	0	0	0	0	0	0	0	0	0	0	5.39451327291524	4.30407608277539	2.26479845681847	2.87280782399824	0	10.1998018689706	0
"C16752775"	"16752-77-5"	"Methomyl"	"DSSTox_22267"	0	0	0	0	0	0	0	0	0	0	0	0	9.46985024119411	0	0	0	0	0
"C1675543"	"1675-54-3"	"Bisphenol A diglycidyl ether"	"DSSTox_24624"	0	1.59361193448549	0	0	0	0	0	0.551426377392168	0	0	0.14394673532954	0	0	0	0.0196569201908219	9.98233983521363	0	0
"C16893859"	"16893-85-9"	"Sodium hexafluorosilicate"	"DSSTox_36933"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12.4990226537892	0
"C1689845"	"1689-84-5"	"Bromoxynil"	"DSSTox_22162"	0	0	0	0	0	0	0	0	0	4.63617215700015	-2.81547990158084	-1.28741352287416	1.41973127175192	-2.02097521744401	-0.148674409436951	-0.975111705490755	0	-1.8692077578501
"C169590425"	"169590-42-5"	"Celecoxib"	"DSSTox_22777"	2.21842452876554	0	0	0.740128704107141	0.653650022122738	3.37121401598168	0.885113675457416	1.72149010954983	0.880112687400927	-2.45469935703032	0.186631817530483	0	0	0	1.31416563148707	0	-1.6306004087245	0
"C1698608"	"1698-60-8"	"Chloridazon"	"DSSTox_34872"	0	0	0	0	0	0	0	0	0	0	0	0	5.09039335666191	0	4.99564332337481	0	0	0
"C1702176"	"1702-17-6"	"Clopyralid"	"DSSTox_29221"	0	0	0	0	0	0	0	0	0	0	0	0	6.43090378779986	0	5.0612373186215	0	0	2.07071551523277
"C171866312"	"171866-31-2"	"CP-283097"	"DSSTox_47264"	0	0	0	0	13.4473526132638	0	0	0	0	0	0	7.05577419350318	6.75863327312609	0	11.3040888808681	0	0	0
"C1724396"	"1724-39-6"	"Cyclododecanol"	"DSSTox_27429"	8.03962936879972	0	0	0	0	5.55064902843103	6.21695691938468	6.29836565630847	5.3287632303211	0	0	7.24611743129456	5.64604931980752	0	0	0	0	0
"C173584446"	"173584-44-6"	"Indoxacarb"	"DSSTox_32690"	0	0	0	0	0	0	0	0	0	-0.145311861356967	2.42193460060359	-1.49488203027758	-0.774007872440576	-4.16898748966097	0	0	-1.37088528671937	-3.71131902031533
"C17372871"	"17372-87-1"	"Eosin"	"DSSTox_25234"	15.1594025802763	5.81256996174798	10.1296225651191	3.87998279246565	0	4.08070122258234	0	0	0	0	0	0	0	0	0	0	6.06397537725991	5.68807854641954
"C1742149"	"1742-14-9"	"1,1-Bis(3,4-dimethylphenyl)ethane"	"DSSTox_29223"	0	0	0	0	0	0	6.79107773263899	0	0	0	0	0	5.50726037760738	0	0	0	0	0
"C17465860"	"17465-86-0"	"gamma-Cyclodextrin"	"DSSTox_47033"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.81459149300622	0
"C175013180"	"175013-18-0"	"Pyraclostrobin"	"DSSTox_32638"	0	0	0	0	0	0	0	0	0	0	-0.339503809009151	0	0	5.67245516213602	0	1.22133626246176	-3.41780381932314	4.2705629045824
"C1760243"	"1760-24-3"	"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"	"DSSTox_27433"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.42531286181647	7.26870252623038	0	0
"C1762954"	"1762-95-4"	"Thiocyanic acid, ammonium salt"	"DSSTox_29653"	0	0	0	0	0	0	0	0	7.58045197408531	0	0	0	0	0	0	0	0	0
"C1763231"	"1763-23-1"	"PFOS"	"DSSTox_31864"	0	0.235981050673755	0	-1.74680395150408	-3.80736333405365	-1.6899441420786	-1.57835599599256	0	0	0	2.88724214894524	-0.0842282486017079	0.908775260108213	0	0	0	-1.51588451493004	0
"C17696627"	"17696-62-7"	"Phenylparaben"	"DSSTox_47882"	6.81099975509481	11.6120153890221	14.2694865950339	6.2330111759541	6.87690810223183	8.87173367425457	7.39265031537166	9.90698528333242	8.74138057081697	8.29746200106197	7.32124798217193	5.87422085023326	6.66483917605234	4.62799336785443	4.22146670148083	10.1154564297663	0	0
"C177785476"	"177785-47-6"	"PharmaGSID_47261"	"DSSTox_47261"	0	0	0	0	0	0	0	0	0	0	0	0	0	3.33896764879057	0	0	0	0
"C17796826"	"17796-82-6"	"N-(Cyclohexylthio)phthalimide"	"DSSTox_27793"	0	8.86204714355938	0	0	0	0	0	0	0	0.541493769183763	0	-0.123293597665219	-0.472794076916624	0	0	0	-0.817769748449568	-0.0039804620868091
"C17804352"	"17804-35-2"	"Benomyl"	"DSSTox_23900"	0	0	0	0	0	0	0	0	0	0	0	0	0	-1.32617459323854	-2.92931276815502	9.81050779404195	-1.53507005226848	0
"C17924924"	"17924-92-4"	"Zearalenone"	"DSSTox_21460"	17.2959238244731	20.2674138730925	14.3652131399615	11.4760754029526	10.7105452520577	13.537291860504	11.6896710165371	13.7953292391073	16.2330661143793	13.9864695677241	13.5951683568234	16.6843821209399	15.7377602228619	14.5587243716065	25.9046152125437	20.8310585878169	6.34432363741514	6.05632458718702
"C179465715"	"179465-71-5"	"CJ-013790"	"DSSTox_47303"	0	15.8599469748686	0	0.22035423838479	0	0	0.195318927451655	-1.48412180770626	0.230120295869382	0	0	0.673157987783775	0	-1.57544058854771	0.272656490232023	0	-2.27601297641045	-2.34563649007749
"C180084019"	"180084-01-9"	"SB236057A"	"DSSTox_47320"	0	0	7.24677962376008	0	0	0	0	0	0	0.881592968007114	0.912732459641404	0	0	0	0	0	-1.87329540921351	-2.31734837678498
"C1806264"	"1806-26-4"	"4-Octylphenol"	"DSSTox_22312"	0	0.104266347908562	0	0.941922621069069	0.511930494401533	1.4733720875189	0.938022878502066	1.585168285035	2.13264461525067	-4.07281869924017	-0.0484497862589219	3.836838337822	4.08427421473561	0	-0.242840913383785	3.37775239097321	-0.181039306589788	0
"C181274157"	"181274-15-7"	"Propoxycarbazone-sodium"	"DSSTox_34864"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.18713907175262	17.9596219820408	0	0
"C181274179"	"181274-17-9"	"Flucarbazone-sodium"	"DSSTox_34614"	0	0	0	0	0	0	0	0	0	10.3181129972676	0	0	0	0	0	0	0	0
"C181640095"	"181640-09-5"	"SR144190"	"DSSTox_47339"	0	0	0	0	0	0	0	0	0	0	0	0	2.54760265781485	0	0	0	0	0
"C18172673"	"18172-67-3"	"(-)-beta-Pinene"	"DSSTox_41184"	0	0	0	0	0	0	0	0	0	6.65518588395558	0	0	0	0	0	0	0	14.3186579191466
"C1825214"	"1825-21-4"	"Pentachloroanisole"	"DSSTox_21103"	0	0	0	4.726143216595	4.5115448879112	5.68362423688819	4.0451061324148	4.98088169557716	5.93157647317506	0	0	6.43224695034539	8.02661068252094	0	0	0	0	0
"C1836755"	"1836-75-5"	"Nitrofen"	"DSSTox_20970"	0	0	0	0	0	0	0	0	2.98056835102611	0	7.64768691637522	3.6199964695612	5.84477736107038	0	0	0	0	0
"C1843056"	"1843-05-6"	"Octabenzone"	"DSSTox_27441"	0	0	0	0	0	0	0	0	0	-1.13322068128596	0	0	0	0	0	0	-0.828236798610501	1.73382466143568
"C184653847"	"184653-84-7"	"Carabersat"	"DSSTox_47319"	0	0	0	0	0	0	0	0	0	5.89089227841618	4.4381888035536	6.79344719336732	0	0	4.55940908421723	0	0	0
"C1861321"	"1861-32-1"	"Chlorthal-dimethyl"	"DSSTox_24000"	0	0	0	-0.855525960671549	-0.225263181789807	-0.661631895084602	-0.91474256416925	-0.695977869691777	-0.00312049861526704	-1.80385891445985	0	0	-0.00711084113987899	0	0	0	0	0
"C1861401"	"1861-40-1"	"Benfluralin"	"DSSTox_23899"	0	0	0	-0.90263549679193	0	-1.82592021103196	0	0	0	0.816264385611836	-0.151757276297367	-0.535880551206958	0.593445419476635	0	0	10.2356479862339	-1.25355079414668	-2.44935507965795
"C186392654"	"186392-65-4"	"Ingliforib"	"DSSTox_47252"	0	0	0	0	0	0	0	0	0	0	-2.18802422327719	0	0	0	0	0	-0.286080206973666	-2.9303761934854
"C1873887"	"1873-88-7"	"1,1,1,3,5,5,5-Heptamethyltrisiloxane"	"DSSTox_38795"	0	0	0	0	0	0	0	0	0	0	0	5.17484506556579	0	21.7450543913486	0	0	0	0
"C188425856"	"188425-85-6"	"Boscalid"	"DSSTox_34392"	0	0	0	0	0	0	0	0	0	0	-2.26029647132376	-0.130243241795035	2.85013027123077	0	0	0	0	-1.34088099341417
"C188489078"	"188489-07-8"	"Flufenpyr-ethyl"	"DSSTox_34618"	13.5364273924105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.82096333411446	0
"C189003927"	"189003-92-7"	"Trelanserin"	"DSSTox_47355"	0	0	0	0	0	0	0	0	0	-2.90988888300873	-4.11170080953539	0	0	0	0	-1.92638471468706	-3.25412129607201	-3.27320840318206
"C18924668"	"18924-66-8"	"2,2'-(Tetradecylimino)diethanol"	"DSSTox_44865"	4.43730326054065	0	2.06521626584687	0	2.39765324402729	0	3.62037441433444	0	2.30024640955132	-0.140905292992977	-1.14337859840367	0	0	0.668448681122983	0	10.0459291010348	0.0688766155861049	-1.49279671282256
"C1897456"	"1897-45-6"	"Chlorothalonil"	"DSSTox_20319"	0	0	0	0	0	0	0	2.77660724564541	0	-4.22129310445543	-1.91728794800312	0	0	-6.99330526865413	1.69942144753807	0	-4.54488297413009	-5.35216646897573
"C18979550"	"18979-55-0"	"4-(Hexyloxy)phenol"	"DSSTox_48195"	0	1.72106763468918	9.22802105216194	1.90341362505659	3.67118290097488	2.10688711242337	0	1.99774671896001	0	-0.956093645142728	-0.99947955441131	4.55206871806085	4.19240155649662	-1.39011671730218	1.9064140728741	0	-0.00568351757745204	0
"C19044883"	"19044-88-3"	"Oryzalin"	"DSSTox_24238"	0	0	0	0	0	0	0	0	0	1.47723784712077	0.335378808070262	0	0	0	0	0	-2.23272671666722	-3.04841285832401
"C1907659"	"1907-65-9"	"N-Butyl-p-toluenesulfonamide"	"DSSTox_42198"	0	0	0	7.25982395770162	4.15892764500475	0	0	0	0	7.15121944315468	0	0	0	0	0	0	17.0926712619654	0
"C1912249"	"1912-24-9"	"Atrazine"	"DSSTox_20112"	0	0	0	0	0	0	0	0	0	0	0	0	0	18.2266060073632	0	0	0	0
"C1918009"	"1918-00-9"	"Dicamba"	"DSSTox_24018"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1918021"	"1918-02-1"	"Picloram"	"DSSTox_21160"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1918167"	"1918-16-7"	"Propachlor"	"DSSTox_24274"	0	1.46674367597442	3.48907946007558	0	0	0	0	0	0	0	-1.40896873029566	0	1.51533610208482	0.431982117325649	0	0	1.33314729516347	-0.276267503115451
"C1929733"	"1929-73-3"	"2,4-D-Butotyl"	"DSSTox_32309"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.36098734161562	8.33745632489262	0	0
"C1929777"	"1929-77-7"	"Vernolate"	"DSSTox_24376"	0	6.44348388922304	0	0	0	0	0	0	0	0	4.03676976285001	5.77895079117137	0	0	5.08787294421142	0	0	0
"C1929824"	"1929-82-4"	"Nitrapyrin"	"DSSTox_24216"	0	0	0	0	0	0	0	0	6.14295790302368	0	0	0	4.57976024175934	0	4.95609937987724	18.4233924060051	0	0
"C1934210"	"1934-21-0"	"FD&C Yellow 5"	"DSSTox_21455"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.09344536211693	0
"C1936158"	"1936-15-8"	"C.I. Acid Orange 10"	"DSSTox_21082"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C194098254"	"194098-25-4"	"CP-409092"	"DSSTox_47276"	0	0	0	0	0	0	0	0	0	0	0	8.16401423700849	0	0	1.24446134451868	2.80660652279675	0	0
"C1948330"	"1948-33-0"	"tert-Butylhydroquinone"	"DSSTox_20220"	0	0	0	0	0	-0.881958317339996	-0.97637500604459	-2.83620436320681	-0.113132293892167	-1.55333149974124	0	-1.51324785780016	1.25564747655063	0	0	0	0	0
"C19666309"	"19666-30-9"	"Oxadiazon"	"DSSTox_24239"	0	0	0	0	0	0	0	0	0	0.562280666519286	-3.3092789155113	0	1.3184764494878	-2.50400341362107	0	5.601518547852	-1.67155861986572	-1.88499482175071
"C196808454"	"196808-45-4"	"Farglitazar"	"DSSTox_47310"	0	2.72146686924558	0	0	0	0	0	0	0	0	0	0	19.3510951503071	0	0	0	-0.206233099073339	0
"C197077557"	"197077-55-7"	"UK-333747"	"DSSTox_47287"	0	0	0	0	0	0	0	0	0	5.65631421337732	0	0	0	0	6.19861497537132	8.06531017759315	0	0
"C19774824"	"19774-82-4"	"Amiodarone hydrochloride"	"DSSTox_37185"	0	0	0.0723451772911741	0	0	0	2.02869565302476	-0.575086312736456	2.16105824556285	7.06685757111541	6.57423662671668	6.83209355609394	0	12.1174388784465	0	0	-1.34401596341468	0
"C19780111"	"19780-11-1"	"(2-Dodecenyl)succinic anhydride"	"DSSTox_25217"	0	0	0	0	0	0	0	0	0	0	0	0	4.21772218952216	0	0	0	6.01262868567967	2.07071543321073
"C1987504"	"1987-50-4"	"4-Heptylphenol"	"DSSTox_37714"	0	0	0	0.203425736422416	0.2458329044331	1.39769457451732	1.02603543562739	1.48306771044014	1.45183378812222	1.03486186118764	4.48551662923677	5.11854746220892	3.97197116620957	0	-0.414169496076147	3.25844854235137	-1.16597528056992	0
"C199119589"	"199119-58-9"	"Trifloxysulfuron-sodium"	"DSSTox_40222"	0	0	0	0	0	0	0	0	0	0	0	0	5.61977026152924	0	5.03413570547365	18.1543666793007	0	0
"C199171885"	"199171-88-5"	"CP-401387"	"DSSTox_47253"	0	0	6.78985417726575	0	0	0	0	0	0	0	0	0.36716792148412	-0.116902740076835	-3.29452024750797	0	4.18037034978933	-1.31796275367256	0.879346226348366
"C199584388"	"199584-38-8"	"1-Methoxy-4-tert-pentylcyclohexane"	"DSSTox_48187"	0	0	0	0	0	0	0	0	0	0	0	4.60605537319476	21.1131804926241	0	0	0	4.28494511343266	0
"C2008415"	"2008-41-5"	"Butylate"	"DSSTox_23936"	0	0	0	0	0	0	0	0	0	0	0	5.30938153131516	7.34982420206226	0	0	17.6920934973397	0	0
"C200940234"	"200940-23-4"	"SB243213A"	"DSSTox_47322"	2.23888866432695	0	0	0	0	0	0	0	0	-1.52341031513367	-2.6555784159716	0	4.29497245478334	-2.42853504464649	0	0	-0.528877564586432	-2.35561785231938
"C2016571"	"2016-57-1"	"1-Decanamine"	"DSSTox_22171"	0	6.41009595952657	3.0269565472078	0	0.100756814480376	0	2.01253482598587	0	0.294836829533123	-0.246969851142075	0	0	4.82592201976293	0	0.378074810274034	0	0	0
"C20265978"	"20265-97-8"	"4-Methoxyaniline hydrochloride"	"DSSTox_20093"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.20640377182908	0	1.41617551305752	0
"C2031676"	"2031-67-6"	"Triethoxymethylsilane"	"DSSTox_42490"	0	0	0	0	5.05987156155317	0	0	0	0	0	0	5.07639496926596	0	0	0	0	4.61644718171815	0
"C20325400"	"20325-40-0"	"3,3'-Dimethoxybenzidine dihydrochloride"	"DSSTox_20485"	0	0	0	0	0	0	0	0	0	0	0	0	8.43320846062263	-2.116269283365	0	0.00983679138941585	-1.75366898209427	-2.16663515938822
"C203942498"	"203942-49-8"	"UK-337312"	"DSSTox_47288"	0	-0.649395248110417	7.1568969897756	0	0	0	3.09121452738763	0	0	0.420300092651361	0	0	0	-1.87804447898891	0	0	1.32079516131068	-1.88109906617684
"C2043574"	"2043-57-4"	"1H,1H,2H,2H-Perfluorooctyl iodide"	"DSSTox_47565"	0	0	0	0	0	0	0	0	0	4.47348984892937	0	0	0	0	0	0	6.17830785590014	0
"C2044646"	"2044-64-6"	"N,N-Dimethylacetoacetamide"	"DSSTox_27454"	0	6.93838933294097	10.5719401217438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2058460"	"2058-46-0"	"Oxytetracycline hydrochloride"	"DSSTox_21097"	0	0	0	0	0	0	0	0	-0.50911527783998	0	0	0	-2.54347610058571	0	0	0	-2.47332529308917	0
"C2058948"	"2058-94-8"	"Perfluoroundecanoic acid"	"DSSTox_47553"	-0.367888171457821	0.542030581674197	0.217776130553917	0	0	-0.546707991669718	0	0	0	0	0	-1.23294924444702	-2.96165404907276	13.0006664722757	0	0	4.96291407243257	1.09940052816926
"C205992"	"205-99-2"	"Benzo(b)fluoranthene"	"DSSTox_23907"	0	0	0	0	0	-3.67087206908694	-0.203183208080248	0	-1.58018276204876	-2.25926450253725	-1.58784828599171	0	3.96871913696799	-2.03771644225156	-1.24336598326421	0	0	0
"C206440"	"206-44-0"	"Fluoranthene"	"DSSTox_24104"	0	0	0	0	-0.471148786919155	-1.3938532745592	-1.13196048522271	-0.814821759206636	-1.09505344956709	0	0	0	0	0	-1.13886301752074	0	0	0
"C207736058"	"207736-05-8"	"CI-1029"	"DSSTox_47262"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.91727581447264	0
"C20780487"	"20780-48-7"	"3,7-Dimethyloctan-3-yl acetate"	"DSSTox_41487"	0	0	0	0	5.32100047099572	0	0	0	0	0	0	0	11.055961509294	0	0	18.6806679569422	0	0
"C2078548"	"2078-54-8"	"Propofol"	"DSSTox_23523"	0	0	0	0	4.17821514623801	5.49938273142588	4.30188453616646	0	0	3.86817003627346	5.37441986594028	6.38498522420646	0	0	0	19.5074846270701	0	0
"C20830755"	"20830-75-5"	"Digoxin"	"DSSTox_22934"	0	0	0	0	0	0	0	0	0	-2.95609847401686	2.89765556720211	0	0	0	-13.8075681844475	0	0	-3.93914601137771
"C208968"	"208-96-8"	"Acenaphthylene"	"DSSTox_23845"	0	0	0	0	0	0	0	5.3262740583605	0	0	0	0	0	18.3808114766264	0	0	8.94410070180855	0
"C2104645"	"2104-64-5"	"EPN"	"DSSTox_22174"	0	0	2.00160825347693	0.938325396417708	1.09852025901557	0.353024288841352	0.62613467343154	-0.183458974408035	1.04384384727228	0.411020664850496	1.01176761158832	3.29923459891711	3.20168809987458	0	0.153797012323597	-0.121307868080548	0	0
"C210631688"	"210631-68-8"	"Topramezone"	"DSSTox_34722"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.47827176325628	7.90822770060261	0	0
"C210826407"	"210826-40-7"	"CP-456773"	"DSSTox_47301"	0	0	0	0	0	4.31913176312537	4.49669657621394	0	5.68234464283963	0	0	11.1436955255787	3.7890584066533	0	5.06771859010421	0	0	0
"C21087649"	"21087-64-9"	"Metribuzin"	"DSSTox_24204"	0	0	0	0	0	0	0	0	0	0	0	0	8.18259730551454	0	0	0	0	0
"C210880925"	"210880-92-5"	"Clothianidin"	"DSSTox_34465"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10.53373159456	0	3.81415209942527
"C2110181"	"2110-18-1"	"2-(3-Phenylpropyl)pyridine"	"DSSTox_42356"	0	0	0	5.31017153312866	0	4.69112825604964	5.28594890760794	0	5.58560486623885	0	0	6.56259173715479	4.71721865469746	0	5.46115441476993	0	0	0
"C21145777"	"21145-77-7"	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	"DSSTox_41544"	0	0	0	1.13830273484645	2.05412728074264	2.11351081852125	2.41775331511756	4.76700556118439	3.36193637707026	0.547930599078755	4.22135782773676	4.60188614287931	1.81887794929829	0	0	0	0	0.642341776871721
"C2122705"	"2122-70-5"	"Ethyl 1-naphthaleneacetate"	"DSSTox_34583"	0	0	0	0	0	4.09060182628564	5.63754990940591	4.26139116452855	5.93367454997452	0	0	0	0	0	0	0	0	0
"C21245023"	"21245-02-3"	"2-Ethylhexyl 4-(dimethylamino)benzoate"	"DSSTox_29320"	0	0	0	3.93714588048475	6.14886362821494	0	7.76169483670366	0	7.57661363066805	0	5.50951442788573	8.2034610328168	7.77667738939377	2.57090779834224	4.94664233735701	18.1070864201678	0	0
"C2144538"	"2144-53-8"	"Tridecafluorohexylethyl methacrylate"	"DSSTox_47558"	0	0	0	0	0	0	0	0	0	-0.125361752145577	0	-2.53785019107094	-3.16418300724742	0	0	0	0	0
"C214535770"	"214535-77-0"	"CP-457677"	"DSSTox_47278"	0	0	0	0	0	0	0	0	0	0	0	13.1348316456591	0	0	0	0	0	4.82136966809255
"C215297271"	"215297-27-1"	"UK-343664"	"DSSTox_47289"	0	0	0	0	0	0	0	0	0	3.77671618347976	0	9.26026253601469	9.84189688246355	0	0	-1.57436465281263	-1.48409047423776	-0.348786670759871
"C2155706"	"2155-70-6"	"Tributyltin methacrylate"	"DSSTox_35204"	0	0	-5.03920763257084	0	0	0	0	0	0	-2.33305844551109	0	0	3.81355740430148	-4.16262629992959	0	0	-0.797032062752554	0.65383651933121
"C21564170"	"21564-17-0"	"2-(Thiocyanomethylthio)benzothiazole"	"DSSTox_32647"	0	0	0	0	0	0	0	0	0	-4.04598862990064	1.37172815150421	0	0	-2.78618576971701	0	0	0	-4.09893899938665
"C2164172"	"2164-17-2"	"Fluometuron"	"DSSTox_20628"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C21662099"	"21662-09-9"	"(4Z)-4-Decenal"	"DSSTox_41514"	0	0	0	6.59373279166881	0	0	0	0	0	0	0	5.37402923900532	5.40883800882764	0	0	0	6.18848705195913	0
"C21725462"	"21725-46-2"	"Cyanazine"	"DSSTox_23990"	15.475149209851	0	0	8.82656996982259	0	0	0	0	0	0	0	0	6.46212937233028	0	4.34237596773531	16.0398327544956	0	0
"C2176627"	"2176-62-7"	"Pentachloropyridine"	"DSSTox_22179"	0	0	0	0	0	0	0	0	0	0.422014969712874	-0.235494127216433	0	0	0	0	0	0	0
"C219714962"	"219714-96-2"	"Penoxsulam"	"DSSTox_34803"	0	9.47721576940597	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C219790724"	"219790-72-4"	"SB281832"	"DSSTox_47324"	0	0	0	0	0	0	0	0	0	-1.55700472147141	-4.20260625822369	0	0	0	0	0	-4.50186432245918	5.45802993587245
"C22047490"	"22047-49-0"	"2-Ethylhexyl octadecanoate"	"DSSTox_47178"	0	0	0	0	0	0	0	0	0	0	0	4.10394246102341	5.40453331167449	0	4.41730001344182	6.39899495706357	0	0
"C220860504"	"220860-50-4"	"CP-457920"	"DSSTox_47254"	0	0	0	0	0	0	0	0	0	0	0	8.59975676297857	0	0	0	6.0053370323357	0	4.40400624703846
"C221246124"	"221246-12-4"	"Fandosentan potassium salt"	"DSSTox_47249"	10.8965025462089	0	0	0	0	0	0	0	0	0	0	-0.381932512515943	0	0	1.66114817346924	0	0.878963525956034	0
"C2212671"	"2212-67-1"	"Molinate"	"DSSTox_24206"	0	0	0	0	0	0	0	0	0	0	0	4.12550716733204	6.08068962929667	0	0	0	0	0
"C221671621"	"221671-62-1"	"SR146131"	"DSSTox_47369"	8.61267801537175	0	0	0	0	0	0	0	0	-2.67216377753627	-3.62453876299904	-0.921018485000892	0.549982969893376	-3.69000327592852	0	16.8024762653711	0.419925827737419	-4.31877761959525
"C22224926"	"22224-92-6"	"Fenamiphos"	"DSSTox_24102"	0	0	0	0	0	0	0	0	0	0	0	5.21842832142925	5.3182334400288	0	0	0	0	2.5295845648112
"C22248799"	"22248-79-9"	"Z-Tetrachlorvinphos"	"DSSTox_32648"	0	0	8.21152731968224	0	7.49795987641009	0	0	0	0	0	0	6.96736102511534	8.24102264954591	4.79030211760314	0	0	6.47178683175815	4.1086697412141
"C22260511"	"22260-51-1"	"Bromocriptine mesylate"	"DSSTox_20197"	0	0	14.3658670011881	0	0	0	0	0	0	0	0	0	0	0	0	0	7.45610744455316	7.49918274579352
"C2231574"	"2231-57-4"	"Thiocarbazide"	"DSSTox_27461"	0	11.29666498804	15.293800843185	0	0	0	0	0	0	0	0	0	4.71584202350805	4.99662563275112	0	10.4383976938539	0	0
"C2243621"	"2243-62-1"	"1,5-Naphthalenediamine"	"DSSTox_20916"	0	0	0	0	1.13017116934022	0	0	0	0	0	0	0	0	0	0	0	0	-3.05689614626759
"C2244215"	"2244-21-5"	"Potassium dichloroisocyanurate"	"DSSTox_26178"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.20943625705277	0	0	0
"C22781233"	"22781-23-3"	"Bendiocarb"	"DSSTox_32327"	0	0	0	0	0	0	0	0	0	0	0	-0.368534119713193	-0.354341971712383	0	0	0	0	0
"C22839470"	"22839-47-0"	"Aspartame"	"DSSTox_20107"	0	0	0	0	0	0	0	0	0	0	0	0	5.16633881669237	4.60675987411353	4.4642390474005	16.7776416767174	0	0
"C22915737"	"22915-73-7"	"Hexane-1,6-diyl dibenzoate"	"DSSTox_47539"	0	0	0	-1.14533877484505	0	-1.38472733103096	0	-1.21607040700709	0	0	0	-0.759025595090564	-2.80974219862122	0	-1.65602161346645	0	0	0
"C23031369"	"23031-36-9"	"Prallethrin"	"DSSTox_32572"	0	0	0	0	0	0	0	0	4.9473717020611	0	-2.54718092096848	0.894975181475626	5.26232943000473	-2.18204638385734	0	0	-1.91552545982733	-1.61542381811684
"C2303175"	"2303-17-5"	"Tri-allate"	"DSSTox_24344"	0	0	0	0	0	0	0	0.303108301527056	0	0	-1.24973424161455	-0.842319612056807	-0.254587769310472	0	0	0	-1.61676053850757	0
"C23089261"	"23089-26-1"	"Levomenol"	"DSSTox_42094"	0	0	0	0	5.57009420307627	0	0	0	4.07351983799164	3.97364793771471	9.07924185383967	7.07858857028021	8.39921075464081	0	5.80905649259251	0	0	3.58067869582846
"C230954093"	"230954-09-3"	"CP-544439"	"DSSTox_47266"	0	0	0	0	0	0	0	0	0	0	0	4.47048846489457	0	1.07035440952357	0	0	0	-0.272191049277381
"C2310170"	"2310-17-0"	"Phosalone"	"DSSTox_24259"	0	0	0	0	0	0	0	0.351993330286794	0	0	0	-0.812114565153467	1.30517158216058	0	0	0	-2.24369955020724	-2.08445452613769
"C23103982"	"23103-98-2"	"Pirimicarb"	"DSSTox_32569"	0	0	0	0	0	0	0	0	0	8.66042718863756	0	0	0	0	0	7.36340177903123	0	0
"C2312358"	"2312-35-8"	"Propargite"	"DSSTox_24276"	0	0	0	0	0	0	0	0	0	0	-2.995523323399	0	0	1.06279238563163	0	0.703804290847795	2.02433415823444	-0.237531691543259
"C23135220"	"23135-22-0"	"Oxamyl"	"DSSTox_21086"	0	2.01540275626016	0	0	0	0	0	0	0	0	0	0	0.285176158337912	2.62042753556176	-1.8687618127664	0	0	0
"C23184669"	"23184-66-9"	"Butachlor"	"DSSTox_34402"	0	0	0	0	0	0	0	0	0	3.03749541110712	-2.31446197109428	8.05704030480881	0	0	0	0	-1.14722663614495	0
"C2321075"	"2321-07-5"	"Fluorescein"	"DSSTox_38887"	6.58042981430798	7.37179503795253	6.22215741637145	0	0	0	0	0	0	0	0	5.86285069154968	4.61934861004648	0	0	4.00827265985036	4.08254601395541	0
"C23386529"	"23386-52-9"	"Dicyclohexyl sodium sulfosuccinate"	"DSSTox_27826"	0	0	0	0	7.62562657201332	0	0	0	0	0	0	0	12.3229873386908	0	0	17.4010953109575	0	0
"C23422539"	"23422-53-9"	"Formetanate hydrochloride"	"DSSTox_32405"	0	0	0	0	0	0	0	0	0	0	0	0	-1.50577344060458	0	0	0	0	0
"C2353459"	"2353-45-9"	"FD&C Green No. 3"	"DSSTox_20673"	0	0	0	0	0	0	0	0	0	0	0	-0.761433077451476	-0.948761332272372	0	0	11.9504882699742	0	0.868770490710203
"C23564058"	"23564-05-8"	"Thiophanate-methyl"	"DSSTox_24338"	0	0	0	0	0	0	0	0	0	0	0	0	-0.120149258432141	9.78286366080395	0	9.59216695355241	0	8.37786006200488
"C23564069"	"23564-06-9"	"Thiophanate"	"DSSTox_34531"	0	0	0	6.62313185308867	0	0	0	0	0	0	7.02267577089897	0	0	4.60826765355492	5.32606913892777	7.44269437260919	5.76462396594327	0
"C23593751"	"23593-75-1"	"Clotrimazole"	"DSSTox_29871"	0	0	0	0	0	0	0	0	0	2.11818309947985	-1.86912739347323	5.83785395188347	6.49125708336979	-3.79683865945636	4.4246988322613	0	0.516349077803065	-3.80908323830198
"C23779320"	"23779-32-0"	"1-[3-(Triethoxysilyl)propyl]urea"	"DSSTox_44493"	0	0	0	0	0	3.81574965542009	6.98864847628136	5.68973699044798	6.76496912623723	0	5.88680436434246	0	0	0	0	0	0	0
"C2385855"	"2385-85-5"	"Mirex"	"DSSTox_20895"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2386870"	"2386-87-0"	"UT-632"	"DSSTox_27466"	0	0	0	7.34396307113898	14.4415395217928	0	0	0	0	0	0	0	0	4.40842678147635	4.31618489859661	0	18.9631827936227	0
"C2390605"	"2390-60-5"	"Basic Blue 7"	"DSSTox_38888"	0	0.960705818931847	0	0	0	0	0	0	0	1.48851911744829	-0.659211825569775	0	0	-1.50057877834915	0	9.1690267755977	7.35460186286052	7.96205747104761
"C2392394"	"2392-39-4"	"Dexamethasone sodium phosphate"	"DSSTox_47429"	0	0	0	0	0	0	0	0	0	0	12.2201404970671	0	0	-3.16022948030809	9.41086283500961	10.592620552646	0	0
"C23950585"	"23950-58-5"	"Propyzamide"	"DSSTox_20420"	0	0	0	0	0	0	0	0	0	0	0	0	-0.575387020566011	0	0	11.8745939761274	0	0
"C2396681"	"2396-68-1"	"4-tert-Butylbenzenethiol"	"DSSTox_48196"	12.3708294637716	13.5088174465391	7.23606194167716	0	0	0	0	0	0	0	0	6.40376745249906	5.5495695053781	5.58137026075996	5.11632555074868	4.00192928960374	6.00252392529587	0
"C2409554"	"2409-55-4"	"2-tert-Butyl-4-methylphenol"	"DSSTox_20212"	0	0	0	0	0	1.81455549034336	2.03992211921957	2.19763809011739	1.15446279634029	-0.934086319935934	0	0.817627802014351	0	-0.742429066236428	0	0	0.559060059314638	-0.237618303137978
"C24157811"	"24157-81-1"	"2,6-Diisopropylnaphthalene"	"DSSTox_35272"	0	0	0	0	0	0	0	0	0	0	0	7.28526143044947	0	0	0	0	0	0
"C24169026"	"24169-02-6"	"Econazole nitrate"	"DSSTox_25226"	6.71257000660389	0	1.49924195773444	0	0	0	0	0	0	-0.497334397871739	0	0	0	-1.94080717498069	0	13.8191341657019	-0.682867260871498	-2.91897505091453
"C2416946"	"2416-94-6"	"2,3,6-Trimethylphenol"	"DSSTox_22187"	0	0	0	0	0	0	0	0	-2.03161333425036	1.7728176592391	0	0	0	10.6961888227439	0	0	0	0
"C2425061"	"2425-06-1"	"Captafol"	"DSSTox_20242"	0	0	0	0	0	0	0	0	0	0	-1.33531857425055	0	0	-3.04670177441129	0	0	-2.20027614212964	-3.23731796443766
"C2425776"	"2425-77-6"	"2-Hexyl-1-decanol"	"DSSTox_41265"	0	0	0	0	6.93585364855262	0	7.45659716313385	0	4.75644562070775	3.30612952895082	0	0	0	0	0	0	7.51010706020175	0
"C2426086"	"2426-08-6"	"Butyl glycidyl ether"	"DSSTox_24691"	0	0	0	0	0	0	0	0	0	9.929603489201	0	0	0	0	0	0	0	0
"C24307264"	"24307-26-4"	"Mepiquat chloride"	"DSSTox_24170"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.4829915078372	0	0
"C2432873"	"2432-87-3"	"Dioctyl succinate"	"DSSTox_47537"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.97081914197915	5.82344142245709	13.9700467167344
"C2433149"	"2433-14-9"	"4-Cyclohexylcyclohexanol"	"DSSTox_40722"	0	0	0	4.54611556690196	0	5.40529716996723	4.74941740175841	6.03506716191201	4.93456034174629	5.87469014711247	5.563513554047	8.10649918907308	6.58472910575936	0	6.26505891270419	0	0	0
"C2440224"	"2440-22-4"	"2-(2H-Benzotriazol-2-yl)-4-methylphenol"	"DSSTox_27479"	0	0	7.81778481537852	0	0	5.27298170528801	4.28036091091891	0	5.50228821270675	0	0	7.0953915581821	7.31207773296663	4.95528756447708	8.61286144592623	18.2556017140926	0	0
"C2445774"	"2445-77-4"	"2-Methylbutyl isovalerate"	"DSSTox_41440"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.11016653074339
"C2451629"	"2451-62-9"	"Triglycidyl isocyanurate"	"DSSTox_26262"	0	0	0	0	0	0	0	0	0	0	0	0	0	-4.65826954910913	0	0	0	0
"C24549062"	"24549-06-2"	"2-Ethyl-6-methylaniline"	"DSSTox_27833"	0	0	0	0	5.0103221667706	0	5.29351310461292	0	0	0	0	3.91692837574659	0	8.37695907739853	4.3778880901894	0	0	0
"C2457014"	"2457-01-4"	"Barium bis(2-ethylhexanoate)"	"DSSTox_44888"	0	0	0	0	5.92769266847392	0	7.39376141833263	5.64999831009808	7.65402634897679	3.56051575485349	7.36691413291668	0	0	17.130665279148	0	6.3981751430904	0	0
"C24602866"	"24602-86-6"	"Tridemorph"	"DSSTox_41376"	0	0	0	0	0	-0.415918209023608	0	0	0	7.00025191980427	-0.604209523843186	0	0	0	0	0	0	0
"C2465272"	"2465-27-2"	"Auramine hydrochloride"	"DSSTox_20114"	0	0	9.44102125014665	0	0	0	0	0	0	0	-0.680735331320705	0	0	0	0	0	-1.10352633444955	-1.2490795751929
"C2467029"	"2467-02-9"	"Bisphenol F"	"DSSTox_22446"	0	5.26608260305323	0	4.88106263188875	4.52299677277479	5.9409555594469	4.77391089022762	5.57105380977545	6.90308433263315	0	0	5.53016075249495	5.76400479618888	4.14729545964032	6.05362935731477	0	0	4.98344707723668
"C24800440"	"24800-44-0"	"Tripropylene glycol"	"DSSTox_27837"	0	0	0	0	0	0	0	5.96492564226671	0	0	0	0	0	0	0	15.8111182915431	0	22.8461205593536
"C24851987"	"24851-98-7"	"Methyl dihydrojasmonate"	"DSSTox_29325"	0	0	0	0	0	0	0	0	0	0	5.90027667202914	0	0	0	4.90764893795215	6.072063465517	0	0
"C2491385"	"2491-38-5"	"2-Bromo-4-hydroxyacetophenone"	"DSSTox_34576"	0	6.60558123012504	6.91403442306798	0	3.75824663239535	0	3.80961444984444	0	4.78478668932023	0	0	5.04841091242858	3.86451079283391	0	4.51483290422112	0	0	0
"C2492264"	"2492-26-4"	"Sodium 2-mercaptobenzothiolate"	"DSSTox_26035"	0	0	0	0	0	0	0	0	0	0	0	0	-10.6744545220733	0	0	0	0	0
"C249296433"	"249296-43-3"	"CJ-013610"	"DSSTox_47272"	0	0	0	-4.80821573915985	0	-3.59262397572106	0	-2.74782416386414	0	0	-1.42140302052675	0	2.18077049540818	-0.66166513451057	0	2.1034090586138	2.82491457589325	2.08058574702922
"C25057890"	"25057-89-0"	"Bentazone"	"DSSTox_23901"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C25155184"	"25155-18-4"	"Methylbenzethonium chloride"	"DSSTox_35708"	-0.102352567334056	1.40702579156253	9.66827159238812	1.79467313220611	2.74648536556392	2.97439260598963	1.97440558060302	2.54824963824012	2.86820894079913	0.670419243592461	1.57926236937203	0	4.09426115016958	-1.54862866679079	0	11.8587854802513	0.263770506215725	-1.23411886170161
"C25155300"	"25155-30-0"	"Sodium dodecylbenzenesulfonate"	"DSSTox_25219"	-0.0388524560688786	-0.0405303701080539	0.980243723202313	0	0	0	0	0	0	-1.23549830708122	0	0	3.29232747006266	13.1919431091338	0	0	-0.932137340071147	0
"C25168052"	"25168-05-2"	"Chlorotoluene"	"DSSTox_27852"	0	0	0	0	9.15694134468938	0	9.26669988854804	0	7.39069270781077	2.67301214046723	0	0	0	0	5.16472539651113	0	0	0
"C25265718"	"25265-71-8"	"Dipropylene glycol"	"DSSTox_27856"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14.0373744697253	0
"C2528167"	"2528-16-7"	"Monobenzyl phthalate"	"DSSTox_43938"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.95279861541433	0	0	0
"C25322694"	"25322-69-4"	"Polypropylene glycol"	"DSSTox_27863"	14.7790461672754	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8.58593501820531	0
"C253450098"	"253450-09-8"	"Besonprodil"	"DSSTox_47270"	0	0	0	0	0	0	0	0	0	2.30227056333415	-3.72251912599373	5.95119796638265	-0.99103143218239	0	-1.05935958015005	0	0	-3.83295459074414
"C25360105"	"25360-10-5"	"tert-Nonanethiol"	"DSSTox_27868"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.42040868030844	0	0	0
"C25496724"	"25496-72-4"	"Glyceryl monooleate"	"DSSTox_27875"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.22512270746213	0	8.63426077358532	0
"C25498491"	"25498-49-1"	"Tripropylene glycol monomethyl ether"	"DSSTox_29329"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2550405"	"2550-40-5"	"Dicyclohexyl disulfide"	"DSSTox_47628"	0	0	0	-1.12341094785871	0	0.242052450277921	0	0.329811451116173	0	1.03311778640974	0	1.06999988200376	-0.321163803626033	0	0	0	0	0
"C2554065"	"2554-06-5"	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	"DSSTox_38808"	0	0	11.1923825368717	0.865347170095576	-0.0658901720079842	1.55372490429804	0.04878455774117	2.03748768791727	0.807928961989139	0.977800110509551	1.7868903820024	3.39923000931574	5.19259935208045	0	0	0	0	0
"C25550985"	"25550-98-5"	"Diisodecylphenyl phosphite"	"DSSTox_27877"	0	0	0	0	0	0	0	0	0	0	0	6.32834114628683	3.63108376594909	0	5.69180205563191	19.792863173117	6.3939839100143	0
"C25606411"	"25606-41-1"	"Propamocarb hydrochloride"	"DSSTox_34849"	0	0	0	0	0	0	0	0	0	5.99535311221194	0	0	0	0	0	0	0	0
"C25638179"	"25638-17-9"	"Butylnaphthalenesulfonic acid sodium salt"	"DSSTox_41703"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C25812300"	"25812-30-0"	"Gemfibrozil"	"DSSTox_20652"	0	0	0	0	12.1839803804892	0	0	0	0	0	0	6.53363599556458	4.02562500899326	0	0	0	4.61748704650361	0
"C2593159"	"2593-15-9"	"Etridiazole"	"DSSTox_32547"	0	0	0	0	0	0	0	0	0	0	0	5.24615057401849	0	0	0	0	0	0
"C25956176"	"25956-17-6"	"Allura Red C.I.16035"	"DSSTox_24436"	0	0	0	0	0	3.579089247867	4.74972048875951	4.68410635380442	4.92540975201395	0	0	0	0	0	0	0	0	4.23575766038555
"C26002802"	"26002-80-2"	"Phenothrin"	"DSSTox_32688"	0	0	0	0	0	0	0	0	0	0	5.81297217340784	7.30815522970689	6.79348362615775	0	0	0	5.39989114707596	0
"C26027383"	"26027-38-3"	"Polyoxyethylene(10)nonylphenyl ether"	"DSSTox_36588"	5.38023374707047	0	1.20810777671386	-0.826353953933341	0	0.405361820081001	2.01779443678677	-0.351161725082917	2.1884837241759	-2.51911666094108	-2.91955513639657	-0.409561242216993	0	0.798216868136753	0	4.49735855065689	0.63478160278089	2.23290892643875
"C26040517"	"26040-51-7"	"Bis(2-ethylhexyl) tetrabromophthalate"	"DSSTox_27887"	0	0	0	0	0	0	0	0	0	0	4.55787388653146	0	0	0	0	8.62175106310401	0	0
"C2610119"	"2610-11-9"	"C.I. Direct Red 81 disodium salt"	"DSSTox_41726"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.35962561240363	5.54750459715921
"C26172554"	"26172-55-4"	"5-Chloro-2-methyl-3(2H)-isothiazolone"	"DSSTox_34286"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C261947380"	"261947-38-0"	"CP-532623"	"DSSTox_47279"	0	0	0	0	0	0	0	0	0	0	0	-6.424331148091	0	-6.58273039629375	0	0	0	0
"C26225796"	"26225-79-6"	"Ethofumesate"	"DSSTox_34580"	0	0	0	0	0	-0.759635415625542	0	-2.03723336249329	0	-1.75838886326152	-1.93610194581829	-0.584780276098531	0.0459403160395658	-4.3116675693936	0	0	0	-2.00475936714104
"C262376750"	"262376-75-0"	"HMR1426"	"DSSTox_47338"	0	0	0	0	0	0	0	0	0	0	-2.28991011904869	3.96699350549043	4.70705205237586	0	5.5738418381587	0	-2.2176535279239	0
"C26264062"	"26264-06-2"	"Calcium dodecylbenzene sulfonate"	"DSSTox_27891"	-0.0686883522386876	0.267181288213432	-0.0187914972176382	0	0	0	0	0	0	-2.17727922396721	0	0	3.6606808669083	0	0	0	-0.278958534025656	0.37350263526511
"C2627954"	"2627-95-4"	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	"DSSTox_38810"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.99073523178516	0
"C2634335"	"2634-33-5"	"1,2-Benzisothiazolin-3-one"	"DSSTox_32523"	0	0	0	0	0	0	0	0	0	-1.59794525988341	0	-0.40408956149908	0	0	0	0	-1.71567883962136	2.61467761619505
"C263553339"	"263553-33-9"	"GW473178E methyl benzene sulphonic acid"	"DSSTox_47313"	0	0	0	0	5.02637651178921	0	4.82125592068719	0	5.49746954015706	6.12923721978529	7.50481478391239	11.834096750317	0	5.48856641315926	0	3.97129143433639	0	4.7327497543149
"C26402266"	"26402-26-6"	"Glyceryl monooctanoate"	"DSSTox_42006"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.5831348021524	0	0
"C26447109"	"26447-10-9"	"Ammonium xylene sulfonate"	"DSSTox_27899"	0	0	0	0	0	0	0	0	7.63146667129246	0	0	0	0	0	0	0	0	0
"C264618442"	"264618-44-2"	"SSR146977"	"DSSTox_47341"	0	0	-2.01677764435394	0	-2.70216054826482	0	-1.67192598432544	0	-2.56181259511385	0	0	0	0	0	0	0	0	0
"C26530201"	"26530-20-1"	"Octhilinone"	"DSSTox_25805"	-0.17160195833361	0	0	0	0	0	0	0	0	-2.94933367559688	0	-1.08176415141083	0	-3.87496026264531	0	0	-3.65562965221496	-4.13201641592991
"C26628228"	"26628-22-8"	"Sodium azide"	"DSSTox_20121"	0	5.37277086141184	0	0	0	0	0	0	0	0	0	4.57939344829432	0	0	0	3.92737935977097	0	4.29559081782811
"C26644462"	"26644-46-2"	"Triforine"	"DSSTox_32654"	0	0	0	0	5.65288167852251	0	4.65108412267845	0	0	0	0	7.52254879647101	0	0	0	0	0	0
"C2675776"	"2675-77-6"	"Chloroneb"	"DSSTox_24793"	0	0	0	0	0	0	0	0	0	0	0	0	6.20939810203998	0	0	0	0	0
"C2687254"	"2687-25-4"	"2,3-Diaminotoluene"	"DSSTox_27494"	0	0	0	0	0	0	0	0	0	0	0	-3.07812277273938	0	0	-3.27810676314908	0	0	-3.10574910370503
"C2687947"	"2687-94-7"	"N-Octyl-2-pyrrolidone"	"DSSTox_36435"	0	0	0	0	0	0	4.01716847772821	0	0	3.97450689904103	0	0	0	0	0	0	5.00138351690604	0
"C2687969"	"2687-96-9"	"1-Dodecyl-2-pyrrolidinone"	"DSSTox_42206"	0	0	0	0	0	0	0	-0.111458599212081	0	-1.18801794724595	1.33487923969208	0.684379587816831	0	-0.271381144851149	0.846508330124669	0	0.091304633843968	-1.81909558907243
"C26896208"	"26896-20-8"	"Neodecanoic acid"	"DSSTox_27916"	0	0	0	0	5.94416905272821	0	0	0	0	0	0	0	4.02404827549041	0	0	0	0	0
"C2694544"	"2694-54-4"	"Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate"	"DSSTox_44901"	0	0	0	0	3.96860940515381	0	0	0	0	0	0	0	6.25481814330169	0	0	0	0	0
"C2696846"	"2696-84-6"	"4-Propylaniline"	"DSSTox_48180"	0	0	0	5.25877721850534	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2702729"	"2702-72-9"	"2,4-D sodium salt"	"DSSTox_27496"	0	0	0	0	0	0	0	0	0	4.45227877863619	0	0	0	0	4.75242196598444	0	0	0
"C27090637"	"27090-63-7"	"N,N,N',N'-Tetrabutyl-1,6-hexanediamine"	"DSSTox_27920"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C27138314"	"27138-31-4"	"Di(propylene glycol) dibenzoate"	"DSSTox_27921"	0	0	0	-0.188352745926855	-0.193836351391204	0.225660794426518	0.121788928072855	-0.405773697704081	0	1.58182647252987	0	-2.42869009141503	-1.80844093944722	0	-0.618164080557179	9.90507186177568	0	0
"C27176870"	"27176-87-0"	"Dodecylbenzenesulfonic acid"	"DSSTox_27923"	0.370181481592515	1.09280820108512	1.11373067640814	0	0	0	0	0	0	-1.51731945273922	0.372639950090444	2.28614914522596	3.88699532820678	0	0	0	-0.496910552381719	0
"C27178161"	"27178-16-1"	"Diisodecyl hexanedioate"	"DSSTox_27924"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.42327169617831	0	9.51428751177973	4.71952183169926
"C271896"	"271-89-6"	"2,3-Benzofuran"	"DSSTox_20141"	0	0	0	0	0	0	0	0	0	6.75319908853957	0	0	0	0	0	0	0	0
"C27193868"	"27193-86-8"	"Dodecylphenol"	"DSSTox_27926"	0.16340935929319	0.78501133458644	0	3.75170695555771	2.60326533296226	4.5454276379882	3.65752042587731	5.20051754887277	4.63660132508385	6.24504393151074	6.59671647092051	6.46012335579399	6.2354030931335	3.21111680856134	4.2707674498508	7.48640377024604	0.439945187282693	-1.3306916023383
"C27253334"	"27253-33-4"	"Calcium neodecanoate"	"DSSTox_44902"	0	0	0	0	0	0	0	0	3.88116841797679	0	0	5.86830263298947	5.53681124089433	0	0	0	4.46117954796678	0
"C27306781"	"27306-78-1"	"Silwet L77"	"DSSTox_40611"	0	0	1.06675009291888	-2.03759797235462	0	-0.734520071370008	1.54949867441275	-0.758568371033734	1.33820307485406	0	-1.64926450860237	0	0	1.35416569781091	0	6.89959457034198	3.68118193250942	2.50355076943569
"C27314132"	"27314-13-2"	"Norflurazon"	"DSSTox_24234"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10.5304899521188	18.6049347847825	0	0
"C27323417"	"27323-41-7"	"Dodecylbenzene sulfonate triethanolamine (1:1)"	"DSSTox_27932"	0	0	0	0	0	0	0	0	0	0	-2.63160654342335	-0.335216809018437	-0.19551584541657	0	-1.37844440695269	0	-2.08609839413988	0
"C27344418"	"27344-41-8"	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	"DSSTox_36467"	0	0	0	3.99831395246354	0	4.04227364955868	0	3.91326831324901	0	0	0	0	0	3.90321673385594	0	0	0	0
"C2756561"	"2756-56-1"	"Isobornyl propanoate"	"DSSTox_42062"	0	0	0	0	0	0	0	0	0	0	0	6.10544308588845	5.21731943669071	0	0	0	0	0
"C2761242"	"2761-24-2"	"Triethoxypentylsilane"	"DSSTox_42491"	0	0	0	0	0	0	0	0	0	8.83058312220835	0	0	0	0	0	6.4947310283377	8.28488803370925	0
"C2772454"	"2772-45-4"	"2,4-Bis(1-methyl-1-phenylethyl)phenol"	"DSSTox_29241"	0	-0.498203251738956	1.51371719803985	2.74755486419176	0	0	2.77177178695018	2.92178362937706	2.23934616978764	-3.93974434542665	0	1.98465856984871	2.00868623758771	-1.59925708227241	0.373339096012968	0	0	-2.4649628966709
"C2782572"	"2782-57-2"	"Troclosene"	"DSSTox_24993"	0	0	0	0	11.7447534442502	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2783940"	"2783-94-0"	"FD&C Yellow 6"	"DSSTox_21456"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2795393"	"2795-39-3"	"PFOS-K"	"DSSTox_37706"	11.9628076513679	0	0	0	0	-1.42846576208233	-0.0350171885528176	0	-0.348260683776951	0	0	-0.0512510406681836	0.131371967724594	0.296765246638609	0.323039546403263	0	-0.904332807407248	0
"C27955948"	"27955-94-8"	"4,4',4-Ethane-1,1,1-triyltriphenol"	"DSSTox_37712"	2.32460877420647	4.9644167628731	5.50777012675335	1.19639063265474	2.54144335873222	4.47410996973324	3.11721702430898	3.29469546730676	3.5323069132691	3.06580583498331	2.65847812997427	8.33824862453951	9.0177492580671	4.16258425500931	0.280238930972214	3.74309311621196	1.2642970421331	0
"C2807309"	"2807-30-9"	"2-Propoxyethanol"	"DSSTox_27500"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C28159980"	"28159-98-0"	"Cybutryne"	"DSSTox_32416"	0	0	0	0	0	0	0	0	0	0	0	0	0	4.15178090094039	0	0	0	4.17094138774217
"C28249776"	"28249-77-6"	"Thiobencarb"	"DSSTox_24337"	0	0	0	0	0	0	0	-1.21309113951346	0	0	0	-0.0153586572881828	1.54830002390753	0	-2.44647453370571	0	0	0
"C283594901"	"283594-90-1"	"Spiromesifen"	"DSSTox_34929"	0	0	0	0	5.28222335678496	0	0	0	0	0	0	0	5.58816358094204	0	0	0	0	0
"C2835952"	"2835-95-2"	"5-Amino-2-methylphenol"	"DSSTox_24489"	0	0	0	0	0	0	0	0	0	0	0	0	0.914907036054987	0	0	0	0	0
"C28434006"	"28434-00-6"	"S-Bioallethrin"	"DSSTox_39336"	0	0	0	0	0	0	0	0	0	0	-4.16004951145042	2.03769745631512	3.20071322428443	-2.46344647261987	0	0	-0.87734598456198	-1.19849242349936
"C28631665"	"28631-66-5"	"C.I. Acid Blue 22"	"DSSTox_44904"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.19309137658291	0	0	0
"C2870328"	"2870-32-8"	"C.I. Direct Yellow 12"	"DSSTox_41728"	0	6.42357245199945	5.64051801702586	0	0	0	0	0	0	0	0	0	0	0	0	0	2.73884148855749	0
"C28804888"	"28804-88-8"	"Dimethylnaphthalene"	"DSSTox_25130"	0	0	0	4.42452846586156	0	4.52927710908333	0	0	0	0	0	4.6314201880312	3.87102423901446	0	0	6.31171951564884	0	0
"C288104790"	"288104-79-0"	"Surinabant"	"DSSTox_47357"	-0.198881456549338	0	0	0	0	-3.01029301186496	0	0	0	3.13085085065145	3.24365937895757	3.6773027744096	-1.18701932849799	-5.64720564851313	-0.53766047327114	1.11878656167097	0.953167079873537	-3.74512124392513
"C288324"	"288-32-4"	"Imidazole"	"DSSTox_29616"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C288880"	"288-88-0"	"1H-1,2,4-Triazole"	"DSSTox_27131"	0	0	0	0	0	0	0	0	0	4.24447741032772	0	6.21847564933905	5.93783969289268	0	0	0	0	0
"C2893789"	"2893-78-9"	"Sodium dichloroisocyanurate"	"DSSTox_24994"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.23595504751769	0	0	0
"C289716945"	"289716-94-5"	"CP-607366"	"DSSTox_47280"	0	0	0	0	0	0	0.582443604453336	0	0	-1.99194445320799	-0.208770044068152	0	0	-1.01339495400593	0	0	0	-1.83228595744435
"C290352282"	"290352-28-2"	"CP-634384"	"DSSTox_47306"	0	0	0	0	0	0	0	0	0	0	0	4.51373007467654	6.21642664840759	0	5.24337438363268	4.19117429434	0	0
"C29091212"	"29091-21-2"	"Prodiamine"	"DSSTox_34210"	0	0	0	3.00396303287814	3.44022685174738	3.09499320323388	3.59024766492329	0	4.68259035800806	4.59049552913261	4.60369457652763	2.42091087174631	3.27320808232526	-1.97658486937549	3.63972185602798	1.20860826348402	-0.709402698410757	-1.91212030394362
"C29122687"	"29122-68-7"	"Atenolol"	"DSSTox_22628"	0	0	0	0	0	0	0	0	0	0	0	0	4.34928223445991	0	0	0	18.0927581569701	0
"C291305061"	"291305-06-1"	"UK-373911"	"DSSTox_47295"	0	0	1.92282160008995	0	0	0	0	0	0	-0.0263475304936545	2.35529242208899	0	0	0.878853785208951	0	0	-1.30949810427944	-2.31395114879054
"C2917739"	"2917-73-9"	"Dibutyl nonanedioate"	"DSSTox_44815"	0	0	0	9.22162464870979	0	0	0	0	0	0	0	0	0	0	0	0	5.74327318500381	0
"C2919666"	"2919-66-6"	"Melengestrol acetate"	"DSSTox_48184"	0	17.3461243308528	5.2656958721379	0	0	0	10.6095880430805	0	0	19.953040571247	4.32917504841448	0	0	0	19.8880955134169	21.0988194819122	5.00729092071124	0
"C2921882"	"2921-88-2"	"Chlorpyrifos"	"DSSTox_20458"	0	0	0.385020363035085	-2.32752659910865	0.508978520650996	-2.25275014415513	0.278002665237574	-2.04842347850562	-0.219530480188484	0.613689574197969	-2.58499502291517	-0.352806908946329	-1.22552132641441	0	0	0	0	0
"C29232937"	"29232-93-7"	"Pirimiphos-methyl"	"DSSTox_24266"	0	6.19476513407608	0	-0.306938865743312	0	0.47668664222849	-0.1402278961154	-0.425202629987225	1.50549995522296	0	0	1.08534436348698	1.24989286069634	0	-1.53734850507646	10.8393727177244	-1.68405417466101	-1.86640055428894
"C2934056"	"2934-05-6"	"2,4-Diisopropylphenol"	"DSSTox_42273"	0	11.291769078207	0	0	0	1.58891970423904	0	2.15805057488051	1.49471505619852	0	0	1.12536111205698	0.637681995924317	-0.725035960141408	0	0	0.590438833549301	0.429864331208395
"C29385431"	"29385-43-1"	"Tolyltriazole"	"DSSTox_26171"	0	0	5.67862430025472	0	0	0	0	0	0	0	0	3.47383047409715	0	0	0	0	0	0
"C29387868"	"29387-86-8"	"Propylene glycol monobutyl ether"	"DSSTox_29755"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17.6424588150544	0	0
"C29420493"	"29420-49-3"	"PFBS-K"	"DSSTox_37707"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2943751"	"2943-75-1"	"Triethoxyoctylsilane"	"DSSTox_29246"	0	0	0	0	0	0	0	0	0	0	0	-1.10434342012563	0	0	0	0	0	0
"C29590429"	"29590-42-9"	"Isooctyl acrylate"	"DSSTox_27955"	0	0	8.68492056645091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2971360"	"2971-36-0"	"2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane"	"DSSTox_22325"	11.9980210101859	10.4954316883494	13.1590309910284	5.84023819359229	7.29442921909767	8.24060949098859	8.3077719698104	7.97073183066279	14.6816411081534	14.6816411129515	7.50072632464053	6.30342543161145	9.03839338671369	8.46265210053975	10.1117690194342	8.86618771943993	6.09680229174197	-1.61513154952644
"C298000"	"298-00-0"	"Methyl parathion"	"DSSTox_20855"	0	0	0	0	0	0	0	0	-2.48337205437566	0	0	0	0	1.0352090579959	0	0	5.14232933410982	0
"C298022"	"298-02-2"	"Phorate"	"DSSTox_32459"	0	0	0	0	0	4.6235742225055	0	4.55684262201797	0	7.17454200689469	2.4810182251636	6.27101333040358	6.37459308331837	0	4.8300386909755	6.6447126646334	0	0
"C298044"	"298-04-4"	"Disulfoton"	"DSSTox_22018"	0	0	0	0	0	5.66076389727683	5.0599116018619	4.5069508122644	5.21231563056334	5.93048919739966	5.54252771680727	6.28692313975338	8.46513777565935	0	6.0999505880705	0	0	0
"C298077"	"298-07-7"	"Bis(2-ethylhexyl) phosphate"	"DSSTox_27134"	0	0	3.42630051222009	0	0	0	0	0	0	0	0	0.55302080449148	2.94215936084789	0	0	0	1.07661407578586	0
"C298198524"	"298198-52-4"	"SSR180711"	"DSSTox_47359"	0	0	0	0	0	0	0	0	0	-1.5285584783727	0	0	0	0	0	0	0	0
"C29836268"	"29836-26-8"	"Octyl beta-D-glucopyranoside"	"DSSTox_42234"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C298464"	"298-46-4"	"Carbamazepine"	"DSSTox_22731"	0	0	7.727248914163	0	0	0	0	0	0	0	0	6.16409843410554	4.73992584239785	4.44287657775713	0	4.827008080286	12.8918720714092	0
"C2996921"	"2996-92-1"	"Trimethoxyphenylsilane"	"DSSTox_40700"	0	0	0	0	0	0	0	0	0	0	0	0	0	4.9763639464502	0	0	0	0
"C300765"	"300-76-5"	"Naled"	"DSSTox_24209"	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.22342930304887	-1.18439839060443	0	0	0
"C3025307"	"3025-30-7"	"Ethyl (2E,4Z)-deca-2,4-dienoate"	"DSSTox_41357"	0	0.556333799252571	0	0	1.03444329171493	0	2.72409234961223	0	1.99108701124573	-0.700116626833264	-0.43214456516172	4.11762460026879	0	0	0.981466901643924	0	0.396269918341208	11.2144896092731
"C3026639"	"3026-63-9"	"Sodium tridecyl sulfate"	"DSSTox_42418"	0.555876621708813	0	0.556091211571669	0	0	0	0	0	0	0	2.56612699989955	0	0	-0.473872670258271	1.59459955195889	0	0.613899931888366	0
"C302794"	"302-79-4"	"trans-Retinoic acid"	"DSSTox_21239"	0	0	0	0	0	0	0	1.03359896348912	1.44378937895944	0	0	2.77007174420203	8.27035414817603	-1.24608970404304	0	0	0	12.0205671320297
"C3033770"	"3033-77-0"	"N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride"	"DSSTox_44643"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.34908740054434	0	19.8778564617107	0
"C30399849"	"30399-84-9"	"Isooctadecanoic acid"	"DSSTox_27963"	0	0	0	0	0	0	0	0	0	0	0	5.07563322308694	6.18573652142453	4.28709282544392	5.42697834695535	0	8.5960277794015	7.16955855678539
"C30516871"	"30516-87-1"	"3'-Azido-3'-deoxythymidine"	"DSSTox_20127"	0	0	0	0	0	0	5.77599735983681	0	3.97543897132513	0	0	0	0	0	0	0	0	0
"C30560191"	"30560-19-1"	"Acephate"	"DSSTox_23846"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C3056175"	"3056-17-5"	"Stavudine"	"DSSTox_23819"	0	0	0	0	0	5.80321107670643	0	0	5.38383381899369	3.94792967884588	0	0	0	0	0	0	0	0
"C307244"	"307-24-4"	"PFHxA"	"DSSTox_31862"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C309002"	"309-00-2"	"Aldrin"	"DSSTox_20040"	0	0	5.28583557802386	0	0	0.621856881603328	0	-0.426352928555182	2.36395357653293	-0.0822475849021967	0	1.19859140976873	0.331154417051591	0	0	0	-1.78843949517782	-0.383505363145999
"C311455"	"311-45-5"	"Paraoxon"	"DSSTox_24046"	7.82259707295146	0	6.35831342589368	3.29533873202287	0	0	3.99169644985511	0	0	0	0	0	0	13.0312183385338	0	0	5.32097821770899	4.26091010581711
"C31218834"	"31218-83-4"	"Propetamphos"	"DSSTox_32470"	0	0	0	0	0	0	0	0	0	0.00199750568257755	0	0.254889420173436	1.32055322710403	7.87472741426756	-0.37600182844782	0	10.2933819114353	0
"C313994795"	"313994-79-5"	"MK-578"	"DSSTox_47327"	0	0	0	0	0	0	0	0	0	0	0	0	3.12372199387507	0	0	0	0	0
"C314409"	"314-40-9"	"Bromacil"	"DSSTox_22020"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16.6226678772513	0	0
"C3147759"	"3147-75-9"	"Octrizole"	"DSSTox_27522"	0	0	0	0	0	0	0	0	0	0.19941787674479	-1.59533249225733	-1.24463716844439	-1.7794103651954	-2.8175538402924	0	0	-3.05401503281567	-2.45535492494719
"C31519229"	"31519-22-9"	"1,4-Dihydroxy-2-naphthoic acid"	"DSSTox_37730"	0.532561331053432	0	0	0	0	0	-0.00800163028565772	0	0	0.0428156586538114	2.11905210200429	0	6.41445155645736	0	0	0	0	-0.197338780624915
"C3164850"	"3164-85-0"	"Potassium 2-ethylhexanoate"	"DSSTox_27525"	0	0	0	0	0	0	0	0	7.07158187258058	0	0	0	4.61009250440869	0	0	4.12048305743681	0	0
"C3194556"	"3194-55-6"	"1,2,5,6,9,10-Hexabromocyclododecane"	"DSSTox_27527"	0	0	0	0	-1.91568057697567	0	0	0	0	0	0.676592085299903	9.68992949234204	0	-0.880878935140631	0	0	0	-3.6338855411082
"C319857"	"319-85-7"	"beta-Hexachlorocyclohexane"	"DSSTox_20685"	0	0	0	0	0	0	0	8.01251797567461	10.9037181972552	0	0	11.1439061995421	11.6252692069505	7.0771937526098	9.38961360685727	8.41116239723772	0	0
"C32388559"	"32388-55-9"	"1-Cedr-8-en-9-ylethanone"	"DSSTox_29353"	0	0	0	6.40770428503678	5.58280586922824	7.2372499896412	7.39203202872071	7.4080863078612	6.88855965706006	7.0380165992155	4.5586809108326	9.76063930666119	4.40966133353451	0	5.62908819588612	0	0	0
"C3268493"	"3268-49-3"	"3-(Methylthio)propanal"	"DSSTox_27528"	0	0	0	5.05214393419993	0	6.92273956058548	4.71529745594596	0	0	0	6.92882960786434	0	0	0	0	0	0	0
"C32809168"	"32809-16-8"	"Procymidone"	"DSSTox_33923"	0	8.35571796383061	0	0	0	0	0	0	0	0	0	0	0	0	0	6.25194656421864	0	0
"C328847"	"328-84-7"	"1,2-Dichloro-4-(trifluoromethyl)benzene"	"DSSTox_27142"	0	0	7.38650700622724	0	6.76285858684371	0	5.25438348493191	0	0	0	0	5.74796022886664	4.71458858632117	0	0	0	0	0
"C3296900"	"3296-90-0"	"2,2-Bis(bromomethyl)-1,3-propanediol"	"DSSTox_20164"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.38555446227963	0	0	0
"C330198919"	"330198-91-9"	"Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%)"	"DSSTox_47394"	0	0	0	0	0	0	0	0	0	0	-1.32008363398641	0	0	0	0	0	2.86241576504688	0
"C330541"	"330-54-1"	"Diuron"	"DSSTox_20446"	0	0	0	7.79812622165335	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C330552"	"330-55-2"	"Linuron"	"DSSTox_24163"	0	0	0	0	0	0	5.46706658327195	0	0	0	0	0	0	12.7915758228952	9.23183993302275	0	0	0
"C33089611"	"33089-61-1"	"Amitraz"	"DSSTox_23871"	0	0	0	0	0	0	0	0	0	0	-0.981485987927039	0	0	0	0	11.4205216935164	0	-2.30982881868516
"C331623064"	"331623-06-4"	"MK-547"	"DSSTox_47331"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.3567393214009	0
"C3319311"	"3319-31-1"	"Tris(2-ethylhexyl) trimellitate"	"DSSTox_26265"	0	6.83715701745013	7.22800003535226	5.11443511143359	5.15404163902022	5.53349833125606	5.18831759734951	5.03640767978848	5.04339099980812	4.73351306690271	4.3625109562494	6.10435663822678	5.13863334409795	5.5276292374421	4.9790005258131	6.30647340762218	9.57340950446221	0
"C33228443"	"33228-44-3"	"4-Pentylaniline"	"DSSTox_40707"	0	0	7.93439957633292	-1.75776651649237	-1.67383140656444	-1.7221457158176	2.04900734587961	-2.37046081832124	0	0	-2.83656148983178	1.8108771619389	0.45085408749562	0	-2.87782535797618	0	-2.42103662079288	0
"C33228454"	"33228-45-4"	"4-Hexylaniline"	"DSSTox_40708"	0	0	14.5698949020448	3.96989968725753	3.9678509996741	5.77346810467013	5.99810891616144	4.78026558425753	5.25580386587743	3.95975170553661	3.58447804706558	7.79774661634765	8.33453635407404	0	6.18492231228248	0	6.83388671167375	0
"C333415"	"333-41-5"	"Diazinon"	"DSSTox_20407"	0	0	0	1.06259598372078	2.02321080521793	2.56728268974384	1.38138051425272	0.376795286792871	2.03534030375755	1.97961974343331	-1.06938080191959	1.23444914094016	2.95308534730949	0	4.14470922522023	0	0	0
"C3337711"	"3337-71-1"	"Asulam"	"DSSTox_23890"	0	0	0	0	0	0	0	0	0	5.95773660729737	0	0	12.121241569487	0	0	0	0	0
"C334485"	"334-48-5"	"Decanoic acid"	"DSSTox_21554"	0	13.9667367121497	0	0	0	0	0	0	0	0	0	6.5791504210191	5.76231000129064	0	0	0	4.77626472322988	0
"C335671"	"335-67-1"	"PFOA"	"DSSTox_31865"	0	0	0	0	0	0	0	0	0	0	0	5.03111797444116	5.58044017009078	5.52971258768935	4.05833541898079	0	5.14177699021254	0
"C335762"	"335-76-2"	"PFDA"	"DSSTox_31860"	0.799608192244524	0.718031066851992	0.737815444912171	0	0	0	0	0	0	0	0	0.599102013171528	1.1120161922755	0	0	0	0.950598615909433	0
"C33629479"	"33629-47-9"	"Butralin"	"DSSTox_32337"	0	0	0	0	0	0.844287671032997	0	0.768342399865722	0	0.703223343639446	-1.06920450941001	0.519689691511231	1.98328080686594	0	-1.14976471140689	11.2661295117855	0	0
"C33703081"	"33703-08-1"	"Hexanedioic acid, diisononyl ester"	"DSSTox_27982"	0	0	0	0	0	0	0	5.77143087796925	5.53949075192212	0	0	0	0	18.4160203915861	4.1057716430166	6.26760970985812	8.3084629982424	0
"C3380345"	"3380-34-5"	"Triclosan"	"DSSTox_32498"	1.05489843545234	0	2.20070198402303	0	0	0	0	0	0	0	0.346831185025236	0	0	-0.865564136801831	0	0	-0.513823252272714	-1.73262061159024
"C33820530"	"33820-53-0"	"Isopropalin"	"DSSTox_24157"	0	7.97067178298611	8.01535214421501	-1.58757564058961	0.352045459185897	-2.01765750101446	-0.356096649434604	-0.462576035118821	0.545399239290847	-0.125857802349915	0.466360960049344	1.76365018940823	0	0	0	0	-2.22816056646785	0
"C3383968"	"3383-96-8"	"Temephos"	"DSSTox_32484"	1.38112757807792	3.77082558692841	0	0	2.62078939662676	0	0	0	0	0	0	3.77038054106531	5.1098996638298	-0.578658258293004	1.42404317253518	13.1142180005978	0.457179933878345	-0.369262506839811
"C3391864"	"3391-86-4"	"1-Octen-3-ol"	"DSSTox_35214"	0	0	0	0	6.4955256600354	0	5.90073190962142	0	6.39962438762153	8.68114607611345	6.38908772021899	0	0	2.26479853845855	3.36094990229596	7.40437062160782	0	6.75985115707649
"C33956499"	"33956-49-9"	"Codlelure"	"DSSTox_35288"	0	0	0	0	0	0	0	0	0	0	0	0	11.0495240765724	0	0	0	0	3.64485794922673
"C34014181"	"34014-18-1"	"Tebuthiuron"	"DSSTox_24316"	0	0	0	0	0	0	0	0	0	0	0	0	4.63139007441341	0	3.54013367292494	0	0	0
"C34256821"	"34256-82-1"	"Acetochlor"	"DSSTox_23848"	0	0	0	0	0	0	0	0	0	0	-1.03191403381122	0	0	0	0	0	-1.60521921204257	0.912743495927746
"C34451199"	"34451-19-9"	"Butyl (2S)-2-hydroxypropanoate"	"DSSTox_42335"	0	0	0	0	0	0	0	0	6.73757339700619	0	0	0	0	0	4.78873616267075	0	0	0
"C344930956"	"344930-95-6"	"SSR69071"	"DSSTox_47368"	0	0	0	0	0	0	0	-2.65302845745677	0	-4.00292336286977	0	-0.65367048932159	3.04537692404674	0	0	0	0	0
"C3452979"	"3452-97-9"	"3,5,5-Trimethyl-1-hexanol"	"DSSTox_29661"	0	0	0	0	2.93821779578842	5.62559986177742	5.26881602691864	5.53083393303197	5.11620033942584	0	0	0	0	0	4.44009971716519	0	0	0
"C34590948"	"34590-94-8"	"Propanol, 1(or 2)-(2-methoxymethylethoxy)-"	"DSSTox_27983"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.20691948912158	6.35374267680725	0	0
"C349495427"	"349495-42-7"	"PharmaGSID_47263"	"DSSTox_47263"	0	0	0	0	-1.07756872129963	-2.57879939445961	-2.83962390595994	-1.87955749961411	-2.16954229062136	-2.38490909923865	-0.860140109247494	11.3538308133059	0.274588621830124	0	-2.87468270915325	-1.35204431821379	0	0
"C35256850"	"35256-85-0"	"Butam"	"DSSTox_41691"	0	0	14.9867091763198	0	0	4.92650856482463	4.4969723780128	4.76339022557992	4.82558001407577	4.41903169306346	5.17058247426556	7.94756493796586	6.24634235055244	4.03765645472654	4.41279919713548	6.60029095651703	0	0
"C353280076"	"353280-07-6"	"CP-612372"	"DSSTox_47281"	0	8.59357877095337	0	0	0	0	0	0	0	7.30428768415682	4.66961510247816	8.97868430474479	0	0	0	0	0	0
"C35367385"	"35367-38-5"	"Diflubenzuron"	"DSSTox_24049"	0	0	0	0	0	0	0	0	3.7971720907933	0	0	4.77885194871643	4.1341471362325	3.65768190587018	11.5412311766867	0	0	0
"C35400432"	"35400-43-2"	"Sulprofos"	"DSSTox_32675"	0	0	0	5.89205077320629	5.77599949641847	6.28292278651379	6.1402506714491	5.48503970720912	6.98390587641755	6.4593754864421	4.45821463173178	8.9328155661443	7.6756559633751	0	3.63779101995489	0	0	0
"C3547339"	"3547-33-9"	"2-Hydroxyethyl octyl sulfide"	"DSSTox_32516"	0	0	0	6.05322287037249	0	0	0	0	0	0	0	5.87550066419483	0	0	0	0	5.51561951007658	0
"C35554440"	"35554-44-0"	"Imazalil"	"DSSTox_24151"	0	0	1.64536548397505	0	0	0	0	0	0	0	0	1.70364458368372	2.13506283220469	-0.999160480415007	0	0	0	-1.32346570508402
"C35575963"	"35575-96-3"	"Azamethiphos"	"DSSTox_34818"	0	7.83485313612259	0	0	0	0	0	0	0	0	-2.1050337899861	0	0	0	0	0	0	-1.85154085908256
"C35691657"	"35691-65-7"	"1,2-Dibromo-2,4-dicyanobutane"	"DSSTox_24944"	0	0	0	0	3.43899656895598	0	1.10301906816422	0	1.03289462115523	-1.57312168373216	-0.0015947908696925	0	0	-3.15142115673863	0	0	0	-1.39285166828778
"C361343193"	"361343-19-3"	"Elzasonan"	"DSSTox_47277"	9.25350871935395	0	9.30872002767505	0	0	0	0	0	0	-1.59342974248968	4.38707788590227	4.41787966822065	0	0	0	0	-0.706286776091806	-1.3782984052211
"C361377299"	"361377-29-9"	"Fluoxastrobin"	"DSSTox_34625"	0	0	0	0	0	0	0	0	0	0	-2.36546178844131	0	5.31823409574916	2.2149351293755	0	-2.0115943287439	-2.26248952762882	0.841786733447625
"C3622842"	"3622-84-2"	"N-Butylbenzenesulfonamide"	"DSSTox_27540"	0	0	0	0	0	0	0	0	0	0	4.44816418040765	4.52817716450315	0	0	0	0	21.6683680612639	4.49124918941844
"C3653483"	"3653-48-3"	"MCPA-sodium"	"DSSTox_34700"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23.7351215276249	0	0	0
"C36631308"	"36631-30-8"	"Triisodecyl trimellitate"	"DSSTox_47180"	0	0	0	0	0	0	0	0	0	0	4.26115739093262	0	0	0	0	0	0	0
"C36653824"	"36653-82-4"	"1-Hexadecanol"	"DSSTox_27991"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.21324775211336	0	0	0
"C36734197"	"36734-19-7"	"Iprodione"	"DSSTox_24154"	0	0	0	0	4.80192505784147	0	0	0	0	0	0	0	6.63663154154092	0	5.78347058817325	13.6496358127225	0	0
"C3681718"	"3681-71-8"	"(3Z)-3-Hexenyl acetate"	"DSSTox_41484"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.5247961882387	0	0	0
"C368832422"	"368832-42-2"	"CP-728663"	"DSSTox_47283"	0	0	0	0	0	0	0	0	0	-0.39576371850407	0	-1.11286318192651	-0.488357333560701	-1.65471650673299	0	0	0.0465597690993547	-2.06162283998293
"C3691358"	"3691-35-8"	"Chlorophacinone"	"DSSTox_32348"	1.33252999756766	0.46075306480479	5.06173073360615	0	0	0	0	0	0	-1.52631195509674	0	-0.610298406804615	0	2.37335241911968	0	0	3.18935360283937	-0.570112946466796
"C3734336"	"3734-33-6"	"Denatonium benzoate"	"DSSTox_34376"	0	0	0	0	0	0	0	0	0	5.09159737773686	4.096417455146	0	0	0	0	0	0	0
"C3734676"	"3734-67-6"	"C.I. Acid Red 1"	"DSSTox_44663"	0	0	0	0	0	0	0	0	0	0	0	4.23859852905339	3.71770862815545	13.495609764751	0	17.8101433862256	0	3.37509639296983
"C3739386"	"3739-38-6"	"3-Phenoxybenzoic acid"	"DSSTox_38321"	0	0	0	0	0	0	0	0	0	0	0	11.5204588009495	8.57648140114336	0	0	0	0	0
"C375859"	"375-85-9"	"Perfluoroheptanoic acid"	"DSSTox_37303"	0	0	0	0	0	0	0	0	0	0	0	6.63330453971902	3.80038407945683	0	0	0	6.26525624690477	0
"C375951"	"375-95-1"	"PFNA"	"DSSTox_31863"	0	0	6.77918791192828	0	0	0	0	0	0	0	0	1.16017127447078	0.554267015178113	0	0	0	1.06832105057157	0
"C37764253"	"37764-25-3"	"Dichlormid"	"DSSTox_27997"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C3811049"	"3811-04-9"	"Potassium chlorate"	"DSSTox_47448"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C3811732"	"3811-73-2"	"Sodium (2-pyridylthio)-N-oxide"	"DSSTox_42390"	0	0	0	0	-1.47107472594606	0	-0.313255672743233	0	-0.622359226102381	0	0	0	0	-1.29059535848856	0	4.97341175270148	0	-3.57495730468906
"C3825261"	"3825-26-1"	"PFOA, ammonium salt"	"DSSTox_37708"	0	0	14.368449318981	0	0	0	0	0	0	0	0	5.12093374993676	6.2367374982312	0	0	0	5.06853789334424	0
"C3844459"	"3844-45-9"	"FD&C Blue No. 1"	"DSSTox_20189"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.503170494448502
"C3855321"	"3855-32-1"	"2,6,10-Trimethyl-2,6,10-triazaundecane"	"DSSTox_44564"	0	0	0	0	0	0	0	0	0	4.02092320227888	0	5.96012546340752	0	14.7250287593177	2.70234218821106	0	0	0
"C3871996"	"3871-99-6"	"PFHS-K"	"DSSTox_37709"	0	0	0	0	0	0	0	0	0	0	0	0	3.84542920999807	15.5100652403882	0	0	0	0
"C3913028"	"3913-02-8"	"2-Butyloctan-1-ol"	"DSSTox_44818"	0	0	0	0	0	0	0	0	0	0	0	6.45011906429283	6.88922467628709	0	0	21.2870870056517	8.80125693949117	0
"C39236469"	"39236-46-9"	"Imidazolidinyl urea"	"DSSTox_40151"	0	0	0	0	4.19661914774307	0	4.59251476110019	0	5.9866849489537	0	5.13293059597655	5.99369518474915	4.7135911231627	0	0	0	0	0
"C3926623"	"3926-62-3"	"Sodium chloroacetate"	"DSSTox_27550"	0	0	0	0	0	0	6.19311018777479	0	6.49167650305366	0	4.46101562439172	0	0	0	0	0	13.3697134166175	0
"C39300453"	"39300-45-3"	"Dinocap"	"DSSTox_40352"	0	-0.769283931968131	-0.660093553964722	0	0	0	0	0	0	0	-1.2604727730531	3.08129785730004	2.63918158580664	2.34603621486983	0	3.5554829662088	-0.679015926895283	2.3804200279277
"C39515418"	"39515-41-8"	"Fenpropathrin"	"DSSTox_24002"	0	0	0	0	0	-1.72755634355416	0	0	0	0	-1.83511052558043	-0.965052989608942	0.504660215808367	-1.81846087784171	-1.93127676698376	0	-2.57266581663475	-5.38430967498118
"C39905572"	"39905-57-2"	"4-Hexyloxyaniline"	"DSSTox_22288"	0	0	0	5.40620316645828	0	4.85608325256303	7.95110612657143	3.81716291814099	0	6.61318362774262	1.89710206043175	0	6.54875955381854	0	7.78284239026924	0	4.43980966047846	0
"C402910274"	"402910-27-4"	"UK-416244"	"DSSTox_47290"	0	0	5.25352276080079	1.61226056716091	0	0	0	0	0	4.50590205582905	-1.7031337315155	2.45973854741694	0	12.7534590829677	0	0	0.108146261802882	-1.87437805612536
"C40487421"	"40487-42-1"	"Pendimethalin"	"DSSTox_24245"	3.46361826060643	0	0	-1.60502454079484	-0.0637397726960657	-0.714555379845672	-0.495299953587651	-0.530716777626761	-0.334671002233759	-0.164181931076061	0.13241880229331	-0.351134409156614	0.0192814969024254	0	0.742893548882914	0	0	0
"C40649363"	"40649-36-3"	"4-Propylcyclohexanone"	"DSSTox_48198"	0	0	0	0	4.86624475610894	0	5.39370026561337	0	0	0	0	7.66857116185737	8.22160981071997	0	0	0	0	0
"C4065456"	"4065-45-6"	"Sulisobenzone"	"DSSTox_42436"	0	0	0	0	0	0	0	0	0	0	0	4.46129138451854	4.75345099194865	0	4.0343383357349	17.7334154258487	0	0
"C4098719"	"4098-71-9"	"Isophorone diisocyanate"	"DSSTox_23826"	0	0	0	5.52746550887376	0	0	4.4984611844025	0	5.43045576508566	0	0	0	0	0	4.58759463947179	6.83107097343582	6.47796822326938	21.0997978704996
"C4107986"	"4107-98-6"	"N,N-Diisopropylaniline"	"DSSTox_42189"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.5520187254056	0	0
"C41198087"	"41198-08-7"	"Profenofos"	"DSSTox_32464"	0	9.28281143086309	0	-0.792776794633722	0	-1.51052581178602	1.44480441333699	-1.66229703206843	-0.238771598161531	-0.392520636112295	-0.508430253612539	2.41771220984818	2.67396352579941	6.83970285205175	0	13.3872283693102	-0.735058459452147	0
"C4130421"	"4130-42-1"	"2,6-Di-tert-butyl-4-ethylphenol"	"DSSTox_29262"	0	0	15.49662912716	0	0	8.65505712266144	0	6.6601843710311	0	5.12612138551995	0	4.48274227839855	0	0	0	0	0	5.06801668234811
"C41372081"	"41372-08-1"	"Methyldopa sesquihydrate"	"DSSTox_20863"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C41372207"	"41372-20-7"	"Apomorphine hydrochloride hydrate"	"DSSTox_48185"	0	9.08047899947302	3.96238147385144	0	0	0	0	0	0	0	0	0	3.60342731253062	-3.83436306153792	0	10.3715724678256	0	-1.37024768919908
"C41481667"	"41481-66-7"	"4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]"	"DSSTox_47598"	-0.228309275015298	0.107567562242032	0.576441763523026	0.144558231204314	-0.428520675323218	0.686542037037917	0.0254387058399356	1.37787497625988	0	0	0	2.29994692883846	4.01933498626236	-0.344042076574336	-0.0445383713794203	0	-1.33884737716386	-2.06404549657474
"C4151502"	"4151-50-2"	"Sulfluramid"	"DSSTox_32646"	0	0	0	0	0	0	-0.524648954727606	0	0	0.792475000393573	0	-0.226520720265075	-2.4839812394635	0.490184275601484	0	0	5.36358485391776	-0.512076707550997
"C4180238"	"4180-23-8"	"(E)-Anethole"	"DSSTox_20087"	0	0	0	0	0	0	5.54806794830474	0	4.69566397634783	0	0	0	0	0	0	0	0	0
"C420042"	"420-04-2"	"Cyanamide"	"DSSTox_34490"	0	0	0	0	0	0	0	5.47082841365195	5.6116710391334	0	0	0	0	0	0	6.11192111698996	0	0
"C42509808"	"42509-80-8"	"Isazofos"	"DSSTox_34676"	0	0	0	0	0	1.89710213156356	5.56558590078288	5.80294460416145	5.55314617940067	4.86209865382969	4.68111552260661	5.9823612054108	5.23625428047092	0	0	5.33331894922589	0	0
"C427510"	"427-51-0"	"Cyproterone acetate"	"DSSTox_20366"	0	0	0	0	0	0	0	0	0	0	-1.70414107498941	0	0	0	0.0838384327310449	12.3656810029734	-1.5909164789021	0
"C42874033"	"42874-03-3"	"Oxyfluorfen"	"DSSTox_24241"	0	0	0	0	0	0	0	0	0	0	0	0.68020802993775	-0.35858421371042	12.2603100732053	0	11.4749847629034	-3.19354496166221	-2.65013510337858
"C4291638"	"4291-63-8"	"Cladribine"	"DSSTox_22828"	0	-7.68876078403752	-6.3555754224292	0	0	0	0	0	0	-10.0091900592725	0	-7.32050774089033	-4.52024116907477	-9.74261928152197	-8.76004789204693	0	0	-4.45884828299996
"C43121433"	"43121-43-3"	"Triadimefon"	"DSSTox_23897"	0	0	0	0	0	-1.44347884874028	-0.269959842656254	-3.33939656377186	-0.831213191820028	-2.99181206765556	-3.24706792492199	-0.760261516563038	-0.914843262428506	-3.60893459932727	1.38317478043525	0.440731344663742	0	-0.275821072110228
"C43222486"	"43222-48-6"	"Difenzoquat metilsulfate"	"DSSTox_24048"	0	0	0	0	0	0	0	0	0	2.19015624012618	-3.6020639601434	0	0	-5.38395502054771	0	-1.07591133370828	-4.61214542058213	-3.96976042182374
"C4342363"	"4342-36-3"	"Tributyltin benzoate"	"DSSTox_34981"	0	-2.00027969772846	-4.23571163812626	0	0	0	0	0	0	-1.52635573523159	0	0.658090183996567	5.55138476994519	-3.44653795326384	0	4.54233219268404	1.91539770852527	1.13274846640598
"C4344552"	"4344-55-2"	"4-Butyloxyaniline"	"DSSTox_48199"	0	0	0	0	3.84028565437356	0	0	0	6.98106873323918	0	0	4.52160770409366	0	0	4.93706251139897	0	0	0
"C4376185"	"4376-18-5"	"Monomethyl phthalate"	"DSSTox_40001"	0	0	0	0	0	0	0	0	0	0	0	0	0.874670102408948	0	0	10.3526528889101	0	0
"C4376209"	"4376-20-9"	"Mono(2-ethylhexyl) phthalate"	"DSSTox_25680"	0	0	0	0	0	0	0	0	0	0	0	0	-2.42528012702452	0	0	0	-2.08256980901366	0
"C439687691"	"439687-69-1"	"Nelivaptan"	"DSSTox_47358"	0	0.864194903341383	0	0	0	0	0	0	0	-1.73978910993784	0	0	-3.83325219382501	0	0	0	-0.495031614696633	-1.86120299893119
"C4418262"	"4418-26-2"	"Sodium dehydroacetate"	"DSSTox_26029"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.45089517243735	0	0	0
"C4437858"	"4437-85-8"	"Butylene carbonate"	"DSSTox_40342"	0	0	0	0	0	0	0	0	0	2.83291591218005	0	0	0	0	0	0	0	0
"C444610917"	"444610-91-7"	"PharmaGSID_47315"	"DSSTox_47315"	0	0	0	0	0	0	0	0	0	0	-2.98040515319812	-0.493223027121699	9.11774685768667	-2.80378389224226	0	0	-0.110181916333112	-2.70679618053798
"C4449518"	"4449-51-8"	"Cyclopamine"	"DSSTox_43709"	0	0	0	0	-0.962678398387117	0	-2.88648085426453	0	0	5.92538303085096	0	0	0	0	0	-3.1180374999721	0	-3.06864592286334
"C445295045"	"445295-04-5"	"CP-671305"	"DSSTox_47282"	0	0	0	0	0	0	0	0	0	0	0	22.9388378542741	5.8811860458349	0	0	0	0	0
"C4455269"	"4455-26-9"	"N-Methyldioctylamine"	"DSSTox_42209"	0	0	8.67892608023892	0	0	0	0	0	0	4.61651547809257	0	5.81224826540072	5.8877148620882	6.81383390181251	4.56853518063509	0	0	0
"C446720"	"446-72-0"	"Genistein"	"DSSTox_22308"	8.02191188599627	11.2965549015859	8.2067339427893	2.47197596271836	2.75051325905572	4.71058416540112	3.82795849895426	7.66573227152608	7.91815458457285	4.02319883906859	4.45287776027567	7.526259210162	8.16035585058882	0.708302186157099	2.65798974184499	8.51675475989699	-1.52990127500163	0
"C4468422"	"4468-42-2"	"3-Phenylhexane"	"DSSTox_41492"	0	0	0	5.37383120766227	0	5.78342089081717	0	0	0	0	0	4.72628975035832	5.13896375979984	0	0	0	4.78824969695409	0
"C446866"	"446-86-6"	"Azathioprine"	"DSSTox_20119"	0	0	0	0	0	0	0	0	0	0	0	-1.74049878704261	-1.19047753231911	0	-4.25519894999363	0	-0.984130586716844	0
"C451401"	"451-40-1"	"1,2-Diphenylethanone"	"DSSTox_44430"	0	0	0	0	0	5.36067328379502	4.73721285036083	4.7028439292778	4.61235226412228	0	0	6.1644488369614	6.17445926611613	0	4.58197011517067	17.6410006679089	0	0
"C4548532"	"4548-53-2"	"FD&C Red 4"	"DSSTox_21234"	0	0	0	0	0	0	0	5.78235278126238	0	9.42664314760643	6.81911751917492	0	4.27111099976218	0	0	6.40102548401067	4.44331757761188	4.85621967934633
"C4553622"	"4553-62-2"	"2-Methylpentanedinitrile"	"DSSTox_25612"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C4574043"	"4574-04-3"	"Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride"	"DSSTox_41289"	0	-0.677960329035229	0.579163001091303	0	0	0	0	0	0	-1.47254567743091	0	0	0	0	0	6.91501973590244	-0.13883998592724	-0.891464667504996
"C460004"	"460-00-4"	"1-Bromo-4-fluorobenzene"	"DSSTox_27153"	0	0	0	0	0	0	0	0	0	0	0	3.93086433096017	6.54977148822493	0	5.08864872575901	0	0	0
"C4602840"	"4602-84-0"	"Farnesol"	"DSSTox_32389"	0	0	0	0.878879470284534	0	1.04179773552924	1.37855160809321	2.08726711170883	1.50985035451251	1.04848792360009	-0.541591293579337	0.451864711541717	0.984482141976336	0	0.417720578690649	0	0.580231146177479	0
"C461023632"	"461023-63-2"	"Aplaviroc hydrochloride"	"DSSTox_47316"	0	0	0	0	0	0	0	-0.657915482911542	0	0	0	0	4.68491645967636	0	0	0	-1.85260176942145	-1.44150443083193
"C461585"	"461-58-5"	"Cyanoguanidine"	"DSSTox_20354"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.09261402673545	0	0
"C463401"	"463-40-1"	"Linolenic acid"	"DSSTox_25506"	0	0.956356969747806	10.2015789528163	0	4.35447940451685	0	0.25643338029603	0	2.36562706070204	4.21004015776112	0	0	3.61266219658278	0	0	0	0	0
"C4638486"	"4638-48-6"	"5-Chlorosalicylanilide"	"DSSTox_37749"	0	0	0	0	-2.81809150174557	0	-1.54182524254135	0	-1.71984039789629	0	-1.31701940253835	0	-0.691461333290867	2.42079685085255	0	0	1.04039532979783	-0.695105170664752
"C464493"	"464-49-3"	"D-Camphor"	"DSSTox_24721"	0	0	0	0	7.36184637469333	0	7.88590955919622	0	0	0	0	0	0	0	0	0	0	0
"C4707475"	"4707-47-5"	"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	"DSSTox_41653"	0	0	0	4.28956415563497	0	4.9232779014619	6.00811653837085	4.76259987198903	6.3202292249728	0	0	5.40160163436778	4.43891861657667	4.53532870487681	3.87392956259755	0	0	0
"C470826"	"470-82-6"	"1,8-Cineol"	"DSSTox_20616"	0	0	0	0	0	0	0	0	0	0	7.73836425655865	0	0	0	0	0	5.72937964818433	0
"C4712554"	"4712-55-4"	"Diphenyl phosphite"	"DSSTox_41889"	5.80005761707363	7.90469163349874	6.39401113048055	4.42833230091167	4.97897673126569	4.27187140721445	4.66299381951678	5.5413527316844	4.58244625446068	5.52158722387287	4.6409930957603	7.20071871733636	8.19377913023476	5.66373643337767	5.62824243611249	8.06921916998918	0	0
"C473289622"	"473289-62-2"	"Ilepatril"	"DSSTox_47356"	0	0	0	0	0	0	0	0	7.22320539102036	0	5.90417992031796	0	0	0	0	0	0	0
"C474862"	"474-86-2"	"Equilin"	"DSSTox_47433"	18.9038365569639	25.417259460215	0	12.8649906579316	14.8190370942702	16.9173333313469	20.0059470074015	15.1552899565886	19.863189227733	19.8450634482407	16.7199423654553	15.9553784454316	15.8875888540708	20.2176731578273	30.3152629961112	20.6625614255733	0	0
"C478149530"	"478149-53-0"	"PHA-00543613"	"DSSTox_47284"	0	0	0	0	0	0	0	0	0	6.49250413000092	0	0	0	0	0	0	0	0
"C478263988"	"478263-98-8"	"AVE3295"	"DSSTox_47372"	0	0	0	0	0	0	0	0	0	0	0	0	3.13967898787985	-3.50397907629791	0	0	-1.19655245653651	-2.60829512239612
"C480400"	"480-40-0"	"Chrysin"	"DSSTox_22396"	0	0	0	6.84069157924624	6.4865068721857	0	7.01488888120971	0	7.4762495601441	0	0	10.4241810956872	9.27485552833109	6.45505666321719	6.29874110288472	8.09138458559362	4.38855553640679	0
"C480637"	"480-63-7"	"2,4,6-Trimethylbenzoic acid"	"DSSTox_48200"	0	0	0	0	0	0	3.96077320108745	0	0	4.05517167041149	3.85258853423285	0	0	0	0	0	0	19.7140476935591
"C484173"	"484-17-3"	"9-Phenanthrol"	"DSSTox_47592"	4.38636471426399	-2.18848204506626	0	0	0	0	0	0	0	0.0293463239555234	0	0	0	-2.53548522630049	0	0	-0.544331616081968	-1.82829093455673
"C486566"	"486-56-6"	"Cotinine"	"DSSTox_47576"	0	0	0	0	0	0	0	0	0	3.5371074726804	0	0	0	0	0	0	0	0
"C486668"	"486-66-8"	"Daidzein"	"DSSTox_22310"	6.90940219208908	9.33782243906304	7.76775693466303	0.669978210196989	2.41295813651343	3.65762186839847	3.05772965337699	5.33706441985481	5.41468500770915	1.12430849585985	1.07942691192597	7.78235805859696	6.59691508326204	2.41655986120881	2.93138547263116	6.60923224289664	-2.26374909308782	0
"C487069"	"487-06-9"	"5,7-Dimethoxy-2H-chromen-2-one"	"DSSTox_41421"	0	0	0	0	0	5.0798308464311	5.49513085700257	0	4.86818290123144	0	0	0	0	4.25514479451405	0	0	0	0
"C489010"	"489-01-0"	"2,6-Di-tert-butyl-4-methoxyphenol"	"DSSTox_41379"	0	0	6.77770570861016	2.78880084513478	6.36388848444854	0	0	5.19262226417718	0	0	0	5.97353265964626	0	0	0	0	0	4.86521638121353
"C4904614"	"4904-61-4"	"1,5,9-Cyclododecatriene"	"DSSTox_27581"	0	12.8719336428367	0	0	0	0	0	5.67472874258731	4.52907367728331	0	0	4.54933299409683	0	0	0	0	11.4475453306409	0
"C491805"	"491-80-5"	"Biochanin A"	"DSSTox_22394"	6.43164637349263	12.1037574817068	7.46685289371356	6.74129118062938	6.70289624653866	9.08067759338509	8.38822544548897	9.97151425376982	9.76365003848531	7.11640750527267	7.76798925507341	12.6285956059081	12.8073911588795	6.4702211820266	10.6840358775826	11.7714323476985	5.48685154956508	0
"C493527"	"493-52-7"	"Methyl red"	"DSSTox_42154"	10.3495104281525	0	2.91648624123603	0	0	0	0	0	0	0	-1.19586868094316	0	0	0	0	0	-0.257972961633797	0
"C4940118"	"4940-11-8"	"2-Ethyl-3-hydroxy-4H-pyran-4-one"	"DSSTox_41516"	0	0	0	0	0	0	0	0	0	0	0	0	7.79316721943556	0	0	0	0	0
"C49562289"	"49562-28-9"	"Fenofibrate"	"DSSTox_29874"	0	3.67856320088659	6.25085954420469	0	0	0	0	0	0	0	0	0.378289834308858	-0.0350470143060167	-2.2384766304635	0	0	-0.759927823775841	-1.24327080562967
"C496468"	"496-46-8"	"Glycoluril"	"DSSTox_31380"	0	0	0	5.45855541362227	6.12933553706465	0	6.91133951637523	6.03668063788554	8.16108965288021	0	8.25146345324812	0	0	0	0	0	0	0
"C496720"	"496-72-0"	"3,4-Diaminotoluene"	"DSSTox_24930"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.97915268044908	0	-3.94690855471437	0
"C499752"	"499-75-2"	"Isopropyl-o-cresol"	"DSSTox_42074"	0	0	0	0	0	4.80270924742564	4.72639722441402	4.61578046744622	4.89395685752118	0	0	0	0	0	5.75228404050261	0	0	0
"C499832"	"499-83-2"	"2,6-Pyridinedicarboxylic acid"	"DSSTox_22043"	0	0	0	0	0	0	0	0	0	0	0	4.71966377757973	0	13.3567621766824	5.21245697391152	0	14.5451011495854	0
"C500389"	"500-38-9"	"Nordihydroguaiaretic acid"	"DSSTox_22437"	2.14605857977112	7.30424788026407	5.47789097966011	2.98571036295854	3.3369443329053	4.69263163445257	1.25477526921901	4.46578982058598	3.39521742733495	5.87168032112111	3.77183555623548	3.08850503158229	3.25951543815511	-0.265428843697975	1.78387112483574	13.7289465777407	-0.526111091117938	7.96226587297399
"C501027492"	"501027-49-2"	"PD-0333941"	"DSSTox_47307"	0	0	0	0	0	0	0	0	0	0	-5.31024108638096	0	7.39400691379257	0	0	8.72439057065989	-4.74676542191304	-4.92860264443894
"C50146"	"50-14-6"	"Ergocalciferol"	"DSSTox_20233"	0	0	11.7763710346413	0	0	0	0	0	0	0	0	0	0	-0.396157737080435	0	0	0.221101160062327	0
"C50215"	"50-21-5"	"Lactic acid"	"DSSTox_23192"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14.9056777898072	0	0
"C50226"	"50-22-6"	"Corticosterone"	"DSSTox_22474"	0	0	0	0	0	0	0	0	0	0	0	2.55033401899378	1.86179347532188	0	9.89673026406158	11.7879143808767	0	-1.96935548229785
"C50271"	"50-27-1"	"Estriol"	"DSSTox_22366"	19.0963529329311	22.1717463137738	16.6871304103575	9.4304519514882	10.692039298425	17.2521250273477	14.5898980707071	12.0191888140834	17.7134875431117	13.8047942706306	18.2390054888315	8.49241774292162	11.5866196782254	22.9956142957005	23.4958373644955	20.5433124544207	0	4.38078297049312
"C50282"	"50-28-2"	"17beta-Estradiol"	"DSSTox_20573"	17.7815408849119	20.9272371052116	16.3456852927924	7.49575382154811	8.87980029689875	10.4310838839864	10.1996869050541	11.6447006448861	11.5678175045764	18.781241481447	20.8902096135783	3.72559944324906	15.3885738082635	15.7460060610197	19.0842086701995	12.2100939737516	-3.18170825591906	-3.3077316605649
"C50293"	"50-29-3"	"p,p'-DDT"	"DSSTox_20375"	9.82677336809324	0	0	-1.25124986502496	0	-1.16255336339669	2.8064177231675	1.08063740977382	2.51795021552292	2.93294078190551	3.54201558202773	3.04694388673206	2.92617175358022	-0.732767283141054	1.51693714403287	5.01338386816525	-0.480699591615901	0
"C50351"	"50-35-1"	"Thalidomide"	"DSSTox_22524"	0	0	0	0	0	0	0	0	0	2.05168005561685	0	0	0	0	0	0	0	0
"C50419"	"50-41-9"	"Clomiphene citrate"	"DSSTox_20337"	11.0807326808669	10.5821105163858	10.604047994487	7.0250773216948	6.4826256775653	11.8301175507043	6.15342957126655	6.57530936636478	8.2867092594819	14.6715996462453	11.6552101449349	0	0	4.7852086410135	0	0	5.98873508719202	1.65178187311856
"C50471448"	"50471-44-8"	"Vinclozolin"	"DSSTox_22361"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.02665880296404	5.60890159353545
"C50555"	"50-55-5"	"Reserpine"	"DSSTox_21237"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16.6130920700243	0	-0.0920201235229227	-1.40263637913731
"C50594666"	"50594-66-6"	"Acifluorfen"	"DSSTox_20022"	0	0	0	0	0	0	0	0	0	0	0	10.3435666928115	7.77765773235084	0	0	0	4.76851530456314	0
"C50657"	"50-65-7"	"Niclosamide"	"DSSTox_40362"	0	0	0	0	0	0	0	0	0	0	-3.88729251027716	0	3.22133834894139	-3.82227293575079	4.23815814155243	0	0	-2.54787285947655
"C50704"	"50-70-4"	"D-Glucitol"	"DSSTox_23588"	0	0	0	0	0	0	0	0	0	3.8668799490681	0	0	0	0	0	0	0	0
"C50782"	"50-78-2"	"Aspirin"	"DSSTox_20108"	0	0	0	0	0	0	0	0	0	0	0	2.98136431734596	0	0	0	6.22515533112063	0	0
"C50817"	"50-81-7"	"L-Ascorbic acid"	"DSSTox_20106"	0	0	0	0	0	0	0	0	0	0	0	0	0	4.79720255763137	5.17022752142093	0	0	19.1793688730239
"C50892234"	"50892-23-4"	"Pirinixic acid"	"DSSTox_20290"	0	12.5554014253187	11.3561899472376	0	0	0	0	0	0	0	0	0	6.08563114088216	0	2.48483208802026	0	5.86773089523437	0
"C510156"	"510-15-6"	"Chlorobenzilate"	"DSSTox_20299"	0	-0.274890237802972	0	0	0	0	0	1.49377021044139	0	4.33177240248098	0	2.67839322783802	3.72641951143288	-0.147008727374861	0	0	-1.12606241976059	-2.53225722132174
"C51036"	"51-03-6"	"Piperonyl butoxide"	"DSSTox_21166"	0	0	0	0	0	-2.27313594059329	-1.30011205186803	-1.84150465216956	-0.443920912036804	0.0812023267143424	-2.70678021037397	0.0949166745629075	-1.15053265202314	0	0	0	0	0
"C51058"	"51-05-8"	"Procaine hydrochloride"	"DSSTox_44435"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.07800329134704	0	0
"C5116949"	"5116-94-9"	"Monotridecyl phosphate"	"DSSTox_42169"	0.582273671713813	0	-0.328114892140447	0	0	0	0	0	0	0	0	1.58015181606352	0	-0.883085284115355	-0.760516007065377	0	0.106769797245777	0
"C51218"	"51-21-8"	"5-Fluorouracil"	"DSSTox_20634"	0	0	0	0	0	0	0	0	0	0	0	-3.13346033828306	-2.96692131551696	-5.58314139326682	0	0	0	2.13008134514704
"C51218452"	"51218-45-2"	"Metolachlor"	"DSSTox_22448"	0	0	0	0	0	0	0	0	0	-1.25094128408239	-2.21353588073313	1.19649158102243	0.143148970977371	0	0	9.58568996991875	-0.45871086431151	-1.36748358650579
"C51229788"	"51229-78-8"	"Chloroallyl methenamine chloride"	"DSSTox_35748"	0	0	0	9.82087988470786	6.06962061667164	0	6.33177831780539	0	6.11551206209994	0	4.90435595153479	0	0	0	0	0	0	0
"C51235042"	"51235-04-2"	"Hexazinone"	"DSSTox_24145"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C51241"	"51-24-1"	"Tiratricol"	"DSSTox_45232"	0	4.75892990362368	0	-1.21581913929113	-1.51758261853151	-1.10080987209441	-1.27666172725764	0	0	-1.54140842600691	-1.36315734731073	2.63892204470445	1.85090744559326	1.65906427530656	0.26873859954493	0.853543088838873	2.05550991267726	0
"C512425"	"512-42-5"	"Sodium methyl sulfate"	"DSSTox_42406"	0	0	0	0	0	0	0	7.07136895719941	4.30595415748807	3.14615848523115	0	0	0	0	0	0	0	0
"C512561"	"512-56-1"	"Trimethyl phosphate"	"DSSTox_21403"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C51285"	"51-28-5"	"2,4-Dinitrophenol"	"DSSTox_20523"	0	0	0	0	0	0	0	0	0	0	0	0	0	4.32022774211219	0	4.0943964009409	0	4.84433842923722
"C51309"	"51-30-9"	"Isoproterenol hydrochloride"	"DSSTox_25486"	0	0	8.42846567045596	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C51338273"	"51338-27-3"	"Diclofop-methyl"	"DSSTox_32605"	0	0	0	0	0	0	0	-2.33505421507642	0	2.04184038399362	2.03689866862988	0	6.91689141648641	0	0	0	0.934550960628057	0
"C5137553"	"5137-55-3"	"Methyltrioctylammonium chloride"	"DSSTox_44487"	0	0	6.60013617524917	0	0	0	0	0	0	0.550006290198767	2.80050699267067	4.39409235130709	0	-1.7958668325726	0	10.8170596245986	2.64914748465735	0.469953169421862
"C5138181"	"5138-18-1"	"Sulfosuccinic acid"	"DSSTox_42426"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5146667"	"5146-66-7"	"2,6-Octadienenitrile, 3,7-dimethyl-"	"DSSTox_36286"	8.26008769186186	0	13.9609587594077	0	0	0	0	0	0	2.3140298750431	0	4.29354083128517	3.21867256783871	0	0	0	0	0
"C51525"	"51-52-5"	"6-Propyl-2-thiouracil"	"DSSTox_21209"	5.91009254248404	6.86038198640233	8.68452951700919	0	0	0	0	0	0	0	0	8.02830188743605	9.45026153169387	0	4.22298823681857	12.148286705177	0	0
"C5153253"	"5153-25-3"	"2-Ethylhexylparaben"	"DSSTox_22525"	5.37173925190608	6.14261161488777	0.7552267931266	2.09642637522114	3.92965109180427	3.95951062720847	4.50203209427328	6.32757898788097	5.11782019935074	7.75039967994311	7.79624769320338	3.55557029229574	2.73286912532292	0.0435097117846527	3.73487296900685	7.34212374175648	-0.933835330527536	-1.03060935652829
"C51580860"	"51580-86-0"	"Sodium dichloro-s-triazinetrione dihydrate"	"DSSTox_29761"	0	0	0	0	0	0	0	0	6.52986359388405	0	0	0	0	0	0	0	0	0
"C51630581"	"51630-58-1"	"Fenvalerate"	"DSSTox_20621"	0	0	0	6.79227580255843	7.21797332189521	7.19982087052458	7.22154703073183	0	7.07346222928104	0	0	10.4401848468243	5.57692406335494	5.64973000969755	7.27914856594954	14.6206675935682	5.57398037441251	0
"C51632167"	"51632-16-7"	"1-(Bromomethyl)-3-phenoxybenzene"	"DSSTox_28022"	0	0	0	4.31149238187483	4.19714566269221	4.33334352547698	4.65507605112729	4.73737630214039	4.73123567525954	0	0	7.26095776087143	6.77305089883261	4.16243228020394	5.48940849186953	6.4748438683231	0	0
"C51707552"	"51707-55-2"	"Thidiazuron"	"DSSTox_32651"	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.967853670303981	0	0	0.669234798199734	-1.03208474222711
"C51796"	"51-79-6"	"Urethane"	"DSSTox_21427"	0	0	15.2317755932566	0	0	0	0	0	0	0	0	0	3.68634662957981	0	6.06906538005964	0	0	0
"C52017"	"52-01-7"	"Spironolactone"	"DSSTox_34186"	0	0	0	0	0	0	0	-0.408628445461551	0	0	-0.534903919128908	0	0	0	0	5.98135452248171	-0.737666923779637	-1.04476500242279
"C520183"	"520-18-3"	"Kaempferol"	"DSSTox_20768"	0	12.9782899282463	14.0108380310699	0	9.0062773149714	0	9.16191887224357	0	9.87723750973982	5.81340174979607	8.2826083655204	8.95394339928311	10.2282762481442	6.32779741825038	7.163857303163	10.0497250073262	4.96743914027675	0
"C520365"	"520-36-5"	"Apigenin"	"DSSTox_22391"	8.14373603341675	13.054747311599	15.6847739540454	9.47983193637852	0	10.1773983841685	0	11.2810430858864	0	8.85414358247648	9.28550601640284	10.2244827124466	10.9557510365585	7.11203679851396	4.93782477032488	12.2538978161279	5.29227650496638	0
"C520456"	"520-45-6"	"Dehydroacetic acid"	"DSSTox_20014"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.09974069435734	0	9.44847762021801
"C521186"	"521-18-6"	"5alpha-Dihydrotestosterone"	"DSSTox_22364"	3.61821016918096	7.47128488860833	0	0.175043732920461	0.26964365779563	1.83746205543507	0.785421157804283	2.38512257279525	1.68263104818541	3.43403061185846	3.64814458823578	4.62489757401214	3.85390272030204	5.65827647737008	8.51004311577706	9.80290011378756	0	-1.57059400644128
"C5216251"	"5216-25-1"	"4-Chlorobenzotrichloride"	"DSSTox_27593"	0	0	0	0	0	4.82143570657235	0	0	0	0	0	0	0	5.34489158317882	5.11835692017763	0	0	15.4551949152582
"C52225204"	"52225-20-4"	"dl-alpha-Tocopheryl acetate"	"DSSTox_21356"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.66539343928341	7.81746573763619	0
"C52315078"	"52315-07-8"	"Cypermethrin"	"DSSTox_23998"	0	0	0	0	0	0	0	0	0	3.4323757553068	0	-1.5179181262217	-0.609794022410838	-0.296412803106784	-1.08425135638723	8.84839640305686	-1.66801173560256	0
"C5234684"	"5234-68-4"	"Carboxin"	"DSSTox_23951"	0	0	0	0	0	0	0	0	0	0	3.76159687802627	0	0	0	4.56503135556654	0	4.24821402329231	0
"C52517"	"52-51-7"	"Bronopol"	"DSSTox_24652"	0	0	0	0	0	0	0	0	0	-2.69299012141844	0	0	0	0	0	0	0	0
"C525791"	"525-79-1"	"Kinetin"	"DSSTox_35175"	0	0	0	0	4.62714355426484	0	5.05068831822694	0	0	0	0	0	0	0	0	4.11729805741719	0	0
"C525826"	"525-82-6"	"Flavone"	"DSSTox_22048"	0	0	0	0	5.39954033609389	0	7.39236989181731	0	7.377656606788	0	0	8.75636049224595	8.94464523767958	2.26479880244155	8.75266403622983	0	0	0
"C52645531"	"52645-53-1"	"Permethrin"	"DSSTox_22292"	0	0	0	0	0	0	0	0	0	0	-3.57058467707105	-1.55048267683239	-1.6496276714925	0	0	-1.29377247412459	-2.23889303247438	0
"C526750"	"526-75-0"	"2,3-Dimethylphenol"	"DSSTox_25143"	0	0	0	0	0	0	0	0	5.69723978882682	3.65908732101631	0	5.41576029980428	4.65546408505328	0	4.41656179377462	18.1923245769947	0	0
"C52686"	"52-68-6"	"Trichlorfon"	"DSSTox_21389"	0	0	0	-0.748339904310925	0.131601418193348	0.411510561567147	1.27831771044996	0.306642583063903	0.590123073209522	-1.56189059127532	0.903309366531976	-0.710426521892508	1.91352266738303	-1.55715301133271	-0.791540086081514	0	0	0
"C527606"	"527-60-6"	"2,4,6-Trimethylphenol"	"DSSTox_22049"	0	15.7985370012988	0	0	0	0	0	0	0	0	0	3.58486306633292	0	0	3.62512846347147	0	0	0
"C527680564"	"527680-56-4"	"PHA-00568487"	"DSSTox_47285"	0	0	0	0	0	0	0	0	0	4.8364658880621	0	0	0	0	0	0	0	0
"C52806538"	"52806-53-8"	"Hydroxyflutamide"	"DSSTox_33562"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.0734443293287	5.07806931938187	5.17890110171814
"C528290"	"528-29-0"	"1,2-Dinitrobenzene"	"DSSTox_24066"	0	0	0	0	0	0	0	0	0	0	-1.26174259416525	0	0	0	-1.84556801077275	0	0	0
"C52868"	"52-86-8"	"Haloperidol"	"DSSTox_34150"	0	2.0876903502687	0	0	-2.36631097664223	0	0.496038223399873	0	-0.0717683159499688	0	-1.05689340237804	0	1.77584733093505	0	-0.0700924261584439	0	-0.842083071147038	-2.29285533861971
"C52918635"	"52918-63-5"	"Deltamethrin"	"DSSTox_20381"	0	0	0	0	3.70526294539646	0	0	0	0	0	0	3.01354192979545	3.80494689623702	-1.45798567032596	-1.22677627395812	11.8434871839296	-1.08371367670481	-0.849047840631937
"C53032"	"53-03-2"	"Prednisone"	"DSSTox_21185"	0	6.63589050715638	0	0	0	0	0	0	0	4.64073692705819	5.25685590441782	4.31368760036344	8.39019512397046	0	4.1278544811522	7.29449466745355	0	0
"C53112280"	"53112-28-0"	"Pyrimethanil"	"DSSTox_34877"	0	0	0	0	0	0	0	0	0	0	0	0	6.11737515002676	0	-1.9039503039283	-2.92591817736978	0	0
"C5315797"	"5315-79-7"	"1-Hydroxypyrene"	"DSSTox_38298"	0	0	0	0	0	2.93472954855605	0	0	0	0	0	1.87729277042456	3.19279088470763	-1.78749201558741	-1.20327838840621	3.19520415737146	0	0
"C53167"	"53-16-7"	"Estrone"	"DSSTox_22367"	11.1672820019039	15.6049011012963	14.0401640281234	7.0253815169264	6.77783794826658	9.22434958877139	8.57405099783855	9.43727262504187	9.06491053181867	15.8329359649918	18.3507305812812	16.3578701372332	16.2464675530819	15.997977660738	16.8400559690801	13.6374931881156	0	-0.273526161056681
"C53190"	"53-19-0"	"o,p'-DDD"	"DSSTox_20372"	0	6.53429179979525	1.14103420499421	2.62339452235979	1.64138247933125	3.23256121612592	3.11757432515993	3.97509980133352	3.68165322694807	5.36907800524442	5.28228531237217	6.19958360445254	2.81839145810564	1.84457425025964	3.13194808187128	5.09511852525725	-0.356043847650894	0
"C532025"	"532-02-5"	"Sodium 2-naphthalenesulfonate"	"DSSTox_41442"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C53219219"	"53219-21-9"	"7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv."	"DSSTox_41557"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.06049411190499	0	0	0
"C532274"	"532-27-4"	"2-Chloroacetophenone"	"DSSTox_20293"	0	4.96492262239263	0	0	0	0	0	0	0	-3.76461922369081	-3.53646562364874	-2.09813200838431	0	-3.8106958419122	0	0	0	0
"C532321"	"532-32-1"	"Sodium benzoate"	"DSSTox_20140"	0	0	0	0	0	0	0	0	0	7.13540169778816	0	0	0	0	0	0	0	0
"C5329146"	"5329-14-6"	"Sulfamic acid"	"DSSTox_34005"	0	0	0	0	7.02354593040278	0	5.96017137173719	0	0	4.02823355067302	0	0	0	0	0	0	0	0
"C533233"	"533-23-3"	"2,4-D-ethyl ester"	"DSSTox_41346"	0	0	0	0	0	0	5.44220838625799	0	0	0	0	0	0	0	0	0	0	0
"C5333426"	"5333-42-6"	"2-Octyl-1-dodecanol"	"DSSTox_36288"	0	15.5590847895183	7.75194619469876	0	0	0	0	0	0	0	7.9623362147712	0	0	5.76243457529149	2.07071637691048	9.91426917206302	10.6083080813112	0
"C533744"	"533-74-4"	"Dazomet"	"DSSTox_24902"	0	0	0	0	0	0	0	0	0	0	0	0	-3.3860261447351	0	0	0	-1.74002950634416	0
"C534134"	"534-13-4"	"N,N'-Dimethylthiourea"	"DSSTox_42191"	0	0	0	0	0	0	0	0	0	0	0	4.89301844809449	4.71412861695856	0	0	9.3101034501079	0	0
"C53430"	"53-43-0"	"Dehydroepiandrosterone"	"DSSTox_20379"	9.26499784085527	9.97322483123545	10.0259873997103	6.19733027499668	5.72333034927248	8.4301687717738	7.07666709353	8.85818155556691	9.81853207424897	9.80023680391175	10.1649570313743	10.772241908634	11.4700103946625	11.6834102985025	14.0099173585426	11.6811917462565	0	0
"C534521"	"534-52-1"	"2-Methyl-4,6-dinitrophenol"	"DSSTox_22053"	0	0	0	0	0	0	0	0	0	0	0.118986458066068	0	0	0	0	0	-0.115462821695083	-0.35359069647785
"C5349519"	"5349-51-9"	"4-(2-Methylbutan-2-yl)cyclohexanol"	"DSSTox_40716"	3.36582041015923	6.4121823973591	0	1.90984517547179	0	2.09855515960033	0	2.14287045281261	0	2.78475495757356	3.45690090693686	7.05971521342284	9.98130062895692	0	-1.26408127243023	5.5853593995702	0	0
"C53703"	"53-70-3"	"Dibenz(a,h)anthracene"	"DSSTox_20409"	0	0	0	0	0	0	0	0	0	0	0	12.6213980164389	14.4899030841565	7.87711806373668	4.17674083291757	0	0	15.0590165662444
"C53861"	"53-86-1"	"Indomethacin"	"DSSTox_20740"	8.15645613678629	0	8.05827952799148	0	0	0	0	0	0	0	0	0	-0.00208031333721865	0	0	-3.20049748358246	-2.34096027230513	0
"C53894238"	"53894-23-8"	"Triisononyl trimellitate"	"DSSTox_28033"	13.0906268755891	13.6015109095731	7.58684597828146	0	0	0	0	0	0	3.77170569245098	0	0	0	0	0	3.99707990945356	9.29415910006576	0
"C5392405"	"5392-40-5"	"3,7-Dimethyl-2,6-octadienal"	"DSSTox_24836"	0	0	0	0	0	0	0	0	0	0	0	6.27816805563573	3.67023573266341	0	0	0	0	0
"C53939289"	"53939-28-9"	"(Z)-11-Hexadecenal"	"DSSTox_32303"	0	0	0	0	0	0	0	0	3.54597026564637	4.60692268548186	3.32543444534862	5.16236472893235	7.80997250373601	4.19778155728924	4.604307118559	7.92553485079871	0	0
"C5394365"	"5394-36-5"	"5-Ethyl-5-methylhydantoin"	"DSSTox_41368"	0	0	0	0	3.7360260069613	0	0	0	0	0	0	0	0	0	0	0	0	0
"C540181"	"540-18-1"	"Pentyl butyrate"	"DSSTox_41604"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5407987"	"5407-98-7"	"Cyclobutyl phenyl ketone"	"DSSTox_48201"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.26482485594408	0	0
"C540885"	"540-88-5"	"tert-Butyl acetate"	"DSSTox_22055"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.52912055078496	0	0
"C541026"	"541-02-6"	"Decamethylcyclopentasiloxane"	"DSSTox_27184"	0	0	0	5.79700530700765	3.58457322680302	0	5.62185735147013	0	3.49962729068943	0	0	0	0	0	0	0	0	0
"C54115"	"54-11-5"	"Nicotine"	"DSSTox_20930"	0	0	0	0	0	0	0	0	0	0	0	4.58592955176481	5.01070796173948	0	0	0	0	0
"C541731"	"541-73-1"	"1,3-Dichlorobenzene"	"DSSTox_22056"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C542927"	"542-92-7"	"1,3-Cyclopentadiene"	"DSSTox_27191"	0	0	0	6.64553950416068	0	0	0	0	0	0	0	0	0	0	4.39278999327164	0	0	0
"C5437456"	"5437-45-6"	"Benzyl bromoacetate"	"DSSTox_40343"	0	0	0	0	0	0	0	0	0	0	0	4.43283413905929	4.34646205065328	4.65928941170876	7.56647045982954	0	0	0
"C544638"	"544-63-8"	"Tetradecanoic acid"	"DSSTox_21666"	0	0	0	0	0	0	0	0	0	0	3.85867584445172	0	0	0	0	0	8.27753694415875	0
"C544763"	"544-76-3"	"Hexadecane"	"DSSTox_27195"	0	0	0	0	0	0	0	0	5.81058478958266	0	0	0	9.28491724473141	0	5.16050156715491	0	0	0
"C54593838"	"54593-83-8"	"Chlorethoxyfos"	"DSSTox_32344"	0	0	0	-0.173713319378968	0	-0.515436870669775	0	-1.38119880935189	0	0.395245996547891	-2.21622339543842	-0.126759488898328	-0.582980369870333	-1.29366268650404	-1.56954075288382	0	0	0
"C54626"	"54-62-6"	"4-Aminofolic acid"	"DSSTox_22588"	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.29508351787096	0	0	-1.28266813097763	-0.982062231097447
"C54853"	"54-85-3"	"Isoniazid"	"DSSTox_20755"	0	0	0	0	0	0	0	0	0	5.06500219675814	0	0	4.32141213460698	0	0	3.98037579382523	0	0
"C548629"	"548-62-9"	"Gentian Violet"	"DSSTox_20653"	0	0	0	0	0	0	0	0	0	0	-0.00447076597231398	0	3.5088247909449	-2.74261045587426	0	0	5.24540703130537	1.08327738483316
"C54965241"	"54965-24-1"	"Tamoxifen citrate"	"DSSTox_21301"	7.77148159272522	10.2594554091135	6.37808937894254	5.30736801810286	4.53461086055319	9.52656652648578	8.65493992885818	10.8962689736815	6.27258597127567	10.7346190802383	6.57658793300545	0	0	-3.10385312981318	0	8.81639060482577	4.83567022318252	0.258993217305782
"C550447"	"550-44-7"	"N-Methylphthalimide"	"DSSTox_27198"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C55185"	"55-18-5"	"N-Nitrosodiethylamine"	"DSSTox_21028"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.18244296055491	8.39663364576541	0	0
"C55219653"	"55219-65-3"	"Triadimenol"	"DSSTox_32493"	0	0	0	-2.84908959329522	-4.58280669187451	-3.48342843180948	-2.68896648018296	-2.98244194527466	-2.91700409330007	-1.59670123813001	0	-1.15439650436013	-1.37865124623406	-2.82281720271757	-0.665382286140386	-1.25194747773904	0	-5.0327134077171
"C552307"	"552-30-7"	"Trimellitic anhydride"	"DSSTox_26235"	0	0	0	0	0	0	0	0	0	6.15564381556074	4.61981931410865	0	0	0	0	6.47103429263066	0	19.2169983393889
"C55283686"	"55283-68-6"	"Ethalfluralin"	"DSSTox_32386"	0	0	0	-1.07284610600536	0	-2.0907012944143	0	0	0	0.133047987401799	-1.2698534102563	-0.861341666642334	-1.23298109215664	0	-0.666731891242857	11.0822673675851	0.512131392817518	0
"C55285148"	"55285-14-8"	"Carbosulfan"	"DSSTox_23950"	0	0	10.9653045589811	0	0	0	0	0	0	0	-1.83823144962098	-2.30101835679872	0.704416727259615	0	-1.50500420123472	0	-0.554525391836749	0
"C55290647"	"55290-64-7"	"Dimethipin"	"DSSTox_24052"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.59921596736388	0	0.721501561117714
"C553264"	"553-26-4"	"4,4'-Bipyridine"	"DSSTox_27200"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.01633135978247	0	4.87780451168355
"C55335063"	"55335-06-3"	"Triclopyr"	"DSSTox_32497"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.18028685123014	17.7594740550722	0	0
"C5536618"	"5536-61-8"	"Sodium methacrylate"	"DSSTox_44823"	0	0	0	0	0	0	0	0	0	0	0	0	0	10.5240264329977	5.22196220879804	0	0	0
"C553708"	"553-70-8"	"Magnesium dibenzoate"	"DSSTox_44693"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C55389"	"55-38-9"	"Fenthion"	"DSSTox_20620"	0	8.90563511604486	0	0	0	-1.26838025727827	0	-1.18592089831961	0	0	1.37517364175635	-0.539888384463853	-0.327756766922086	0	-1.95381696548551	0	0	0
"C55406536"	"55406-53-6"	"3-Iodo-2-propynyl-N-butylcarbamate"	"DSSTox_28038"	0	0	0	0	0	0	0	0	0	-1.67321042215669	0	0	0	0	0	0	0	-2.83199605213931
"C55512339"	"55512-33-9"	"Pyridate"	"DSSTox_32639"	0	0	0	0	3.71624963312837	0	0	0	0	0	0	0	5.40161872646214	0	0	5.87461153272307	0	0
"C55589623"	"55589-62-3"	"Acesulfame potassium"	"DSSTox_30606"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19.3601681229058	0
"C556525"	"556-52-5"	"Glycidol"	"DSSTox_20666"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12.6053447971789	0
"C556616"	"556-61-6"	"Methyl isothiocyanate"	"DSSTox_27204"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.90306159403939	11.2606245283091	0	0
"C556672"	"556-67-2"	"Octamethylcyclotetrasiloxane"	"DSSTox_27205"	0	14.7669889417126	0	0	0	0	0	0	0	0	0	5.42656386647785	6.56029386276911	0	0	0	0	0
"C55814410"	"55814-41-0"	"Mepronil"	"DSSTox_37565"	0	0	0	0	20.8076243788786	0	0	0	0	0	0	0	0	0	0	18.661980378811	0	0
"C55934935"	"55934-93-5"	"Tripropylene glycol butyl ether"	"DSSTox_42503"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C55981"	"55-98-1"	"Busulfan"	"DSSTox_20910"	0	11.5137090627402	0	8.54103638529366	0	0	0	0	0	0	0	0	0	0	0	15.507978635049	14.1258894002675	0
"C5598130"	"5598-13-0"	"Chlorpyrifos-methyl"	"DSSTox_32352"	0	9.56468076597536	0	0	0	0	0	0	0	0	0	-0.377448476137716	-0.719222261590313	0	0	0	0	0
"C5598152"	"5598-15-2"	"Chlorpyrifos oxon"	"DSSTox_38666"	0	0	0	0	0	0	0	0	0	0	0	-1.6059125244464	-1.87533136893686	-3.72380058225104	2.08220291991076	0	3.25215973820222	-2.02828679492026
"C56042"	"56-04-2"	"6-Methyl-2-thiouracil"	"DSSTox_20890"	0	0	0	0	0	0	0	0	0	13.3625804961269	6.23873418325949	0	0	0	0	0	0	0
"C563122"	"563-12-2"	"Ethion"	"DSSTox_24086"	5.6236269656842	6.28364561959102	0	2.74579706980213	1.18249848686352	1.83917545581452	1.88943529923432	1.24916942105179	1.51485859255753	1.54778649949185	3.70252272700012	4.0532337929696	2.89612379388513	-3.24361064232859	-0.150473287389739	0	-1.73293455284369	0
"C56375792"	"56375-79-2"	"N,N-Dibutyl-N-methylbutan-1-aminium chloride"	"DSSTox_44443"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.54426231360773	0	7.12526253408331
"C56382"	"56-38-2"	"Parathion"	"DSSTox_21100"	0	0	0	0	0	-2.54103438552258	0	0	0	-2.54145965606201	0	-0.388955743199775	-1.04546746741487	0	0	0	0	0
"C56531"	"56-53-1"	"Diethylstilbestrol"	"DSSTox_20465"	16.7365097277533	20.6839185613109	15.4118068067019	11.7415057381318	10.5719106927093	12.5548713443991	11.0979249193333	13.4822948494849	12.9681919062092	17.9002399248703	19.7989847406075	19.2215827648088	20.1786593602981	16.2800398169667	20.3379979223544	14.0726601058641	-0.91678393957227	-1.78225331435099
"C56553"	"56-55-3"	"Benz(a)anthracene"	"DSSTox_23902"	0	0	0	0	0	0	0.237544008737971	2.3373089782681	0.156680354749125	-1.65876606644066	-1.34459456059582	3.09365060525695	2.96769523901078	-2.85345867890201	-1.49395447441	0	0	10.2569958830534
"C56724"	"56-72-4"	"Coumaphos"	"DSSTox_20347"	0	0	0	0	0	0	0	0	0	0	0	0	-0.863039199446397	0	0	0	0	0
"C56815"	"56-81-5"	"Glycerol"	"DSSTox_20663"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C56951"	"56-95-1"	"Chlorhexidine diacetate"	"DSSTox_32345"	0	1.12083340796722	8.18349526361322	0	0	0	1.87731748287508	0	0	-0.65181404544813	-0.325849816453815	0	2.14573027120101	-2.51392046101927	0	0	1.8769035683439	-1.42424904030726
"C5700492"	"5700-49-2"	"1,2-Ethanediamine dihydriodide"	"DSSTox_44570"	0	0	0	0	0	0	0	0	0	0	0	4.72321296058706	0	0	0	0	0	0
"C57067"	"57-06-7"	"Allyl isothiocyanate"	"DSSTox_20047"	0	0	0	0	0	0	0	0	0	0	0	5.57015609235575	6.12843597737063	0	0	0	10.3236918913522	0
"C57090"	"57-09-0"	"Hexadecyltrimethylammonium bromide"	"DSSTox_37028"	0.68488797841905	-0.112283421038893	2.58669507311018	0	0	0	0	0	0	-0.640719276201864	-0.517399074167903	0	0	0	13.6582183024651	0	0.0735022526697174	-0.960427716248093
"C57103"	"57-10-3"	"Hexadecanoic acid"	"DSSTox_21602"	0	0	0	0	0	0	0	0	0	0	0	4.3258849960188	-5.45865298494885	-6.64157831974241	-5.47286515654536	-2.90790518140403	-2.62413733432193	0
"C57114"	"57-11-4"	"Octadecanoic acid"	"DSSTox_21642"	0	0.134466861573275	0	0	0	0	0	0	0	4.24288808685824	0	-0.379728905921373	3.95113177504679	0.55247020694177	6.81116411234484	3.65438820088219	0	0
"C57136"	"57-13-6"	"Urea"	"DSSTox_21426"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.80585556244708	5.19472336948682	0	0
"C57147"	"57-14-7"	"1,1-Dimethylhydrazine"	"DSSTox_20516"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C571584"	"571-58-4"	"1,4-Dimethylnaphthalene"	"DSSTox_35423"	0	0	0	5.19871636239625	0	0	0	0	0	0	0	0	0	0	6.07439152793548	19.2194588348372	0	0
"C57307"	"57-30-7"	"Phenobarbital sodium"	"DSSTox_21123"	0	0	0	19.9231542346446	0	0	0	0	0	4.98615695475314	2.7972909698071	0	0	0	0	0	0	0
"C57410"	"57-41-0"	"5,5-Diphenylhydantoin"	"DSSTox_20541"	7.99581559731128	0	6.14286158701792	0	0	0	5.61612326355412	0	0	0	7.12424906532798	0	0	9.12459308124297	0	0	3.52517768395478	2.88072215544764
"C57501"	"57-50-1"	"Sucrose"	"DSSTox_21288"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C57556"	"57-55-6"	"1,2-Propylene glycol"	"DSSTox_21206"	0	0	0	0	0	0	0	0	5.47155190100424	0	0	0	0	10.7064204373402	0	0	10.9236322826332	0
"C576261"	"576-26-1"	"2,6-Dimethylphenol"	"DSSTox_24063"	0	0	0	0	0	0	0	0	0	0	0	5.77096952083395	4.2007775508165	0	0	0	0	0
"C57636"	"57-63-6"	"17alpha-Ethinylestradiol"	"DSSTox_20576"	17.3065569494389	18.8968008124456	13.6758092476352	8.52232160508332	8.432344851674	10.9469060589223	9.21408077567026	8.9656567256972	8.839641620843	20.1478694230686	18.589768913335	12.9789215335178	16.2206167340241	21.9581648643064	19.225361723452	15.0173584261286	-2.56865825993341	-3.57142318886954
"C577117"	"577-11-7"	"Docusate sodium"	"DSSTox_22959"	0	-0.317586096775349	0	0	0	0	0	0	0	0	0	0	0	-2.67941908178212	0	0	-0.922429234093621	-1.55805074747569
"C57749"	"57-74-9"	"Chlordane"	"DSSTox_20267"	0	0	9.11391466252631	0	0	0	0	1.19784116634573	2.1490190270576	0.961650595120786	0	1.0467099552546	1.46482053510232	-1.72238092480103	1.79394725014836	3.48046202306354	-1.40778803322144	-1.33780766886271
"C57754855"	"57754-85-5"	"Clopyralid-olamine"	"DSSTox_34265"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.0707412777425	0	0
"C57830"	"57-83-0"	"Progesterone"	"DSSTox_22370"	-0.683023702154885	0.0794969920797477	0	0	0	0	0	0	1.01052549550023	0	8.76303548994853	2.7582617478268	3.95807012835904	0	0.898882840876194	8.54338980407457	-2.79157523604683	-2.77276200210998
"C57837191"	"57837-19-1"	"Metalaxyl"	"DSSTox_24175"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C57852"	"57-85-2"	"Testosterone propionate"	"DSSTox_36515"	0	0	0	0	0.315442271105542	0	1.64369005041346	2.75856166824188	3.64779908187111	3.98725157998101	-1.84117488880013	17.2981243816706	17.2981243066552	3.50506977087913	12.4015153612028	3.84128557667012	0	0
"C57910"	"57-91-0"	"17alpha-Estradiol"	"DSSTox_22377"	8.73661220311633	19.3707529346285	12.8282927991832	10.1707230135751	9.95101240323312	10.5833350251546	9.81192972030846	11.5232224986426	11.8578027615036	19.0406282881417	21.1999925461134	15.677126294322	14.6418528923411	18.6914456259834	22.9747554934287	15.4157246386358	0	-2.85935387467888
"C579668"	"579-66-8"	"2,6-Diethylaniline"	"DSSTox_27218"	0	7.44090313459369	0	0	0	0	0	0	0	0	0	3.40612090180037	3.23136657175337	0	3.90967315646798	0	0	0
"C57966957"	"57966-95-7"	"Cymoxanil"	"DSSTox_32358"	0	0	0	0	0	0	0	0	0	0	0	0	5.04894019679597	0	0	0	0	0
"C57976"	"57-97-6"	"7,12-Dimethylbenz(a)anthracene"	"DSSTox_20510"	3.51464952891801	0	0	-0.212097047290289	0	0.450988406613888	0	2.03387813611652	0	1.35970757207889	0.580973761890695	1.00797865560909	3.39817140707528	-0.493043122881538	0	0	-1.91939122878384	4.69292248587507
"C58082"	"58-08-2"	"Caffeine"	"DSSTox_20232"	0	0	0	0	0	0	0	0	0	0	0	5.2526538736553	0	0	0	0	0	0
"C58140"	"58-14-0"	"Pyrimethamine"	"DSSTox_21217"	0	0	0	0	0	0	0	0	0	0	0	7.79519363239741	4.86812131577757	0	0	0	0	-1.68994865175573
"C58184"	"58-18-4"	"17-Methyltestosterone"	"DSSTox_33664"	0	2.13808613810246	0	0	0.993517082980247	0.738998810189977	-0.132623764632002	0.628372525978825	0.322027013241981	0	0	16.7891271273521	15.1148904972852	2.02893220111386	8.5622140723558	10.0957780120189	-1.33810543590714	-1.48511180171107
"C583788"	"583-78-8"	"2,5-Dichlorophenol"	"DSSTox_25003"	0	0	0	0	0	4.72750770203241	0	5.34544005645981	4.35106884156784	0	0	0	5.88147039561151	0	0	17.662828324904	0	0
"C58394642"	"58394-64-2"	"Benzyloctyl adipate"	"DSSTox_47528"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30.3432539747661	5.43484733410989	6.31866395825963	0
"C584134"	"584-13-4"	"4-Amino-1,2,4-triazole"	"DSSTox_33058"	0	0	0	0	0	0	0	0	0	5.26740690216133	0	5.06534907994192	5.08462857698129	0	5.16675675991542	5.50290051865706	0	0
"C58430947"	"58430-94-7"	"3,5,5-Trimethylhexyl acetate"	"DSSTox_41270"	0	0	0	0	11.4892271059201	0	0	0	0	0	0	0	0	0	0	0	0	0
"C584792"	"584-79-2"	"Allethrin"	"DSSTox_35180"	0	2.19438687617052	8.35605450741855	0	0	0	0	0	0	0	1.48116964722314	0	2.15381494708488	0	0	0	-1.52774022469134	-1.56824891065311
"C584849"	"584-84-9"	"Toluene-2,4-diisocyanate"	"DSSTox_26156"	0	0	0	0	0	0	0	0	0	0	0	0	-2.93253170748384	0	0	-0.592927234781922	0	0
"C5850862"	"5850-86-2"	"C.I. Acid Orange 8, monosodium salt"	"DSSTox_41709"	0	0	0	0	5.5029736591691	0	0	0	0	0	0	5.5727710674988	10.042565856226	0	0	0	0	4.64510525438337
"C585342"	"585-34-2"	"3-tert-Butylphenol"	"DSSTox_44825"	0	0	0	4.75942106899016	4.4606361031485	5.16397541454057	4.68971450872225	5.29194494959633	4.48894126442634	0	5.66933105290021	7.06413512210554	8.11045232434684	0	0	7.04249084218525	0	0
"C58559"	"58-55-9"	"Theophylline"	"DSSTox_21336"	0	0	0	0	0	0	0	0	0	4.07786313156004	0	0	0	0	0	0	0	0
"C58560"	"58-56-0"	"Pyridoxine hydrochloride"	"DSSTox_40792"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19.3493098283643	0	0
"C586629"	"586-62-9"	"Terpinolene"	"DSSTox_27222"	0	0	0	0	3.9135511213541	4.03467142113163	5.34117114377268	0	5.52204987804003	0	0	5.49398109004258	4.39427920643049	3.32015294018773	4.15418566772646	0	0	0
"C5870939"	"5870-93-9"	"Heptyl butanoate"	"DSSTox_42038"	0	0	0	5.70298605107205	0	0	0	0	0	0	0	0	0	0	4.32380903877184	0	0	0
"C58720"	"58-72-0"	"Triphenylethylene"	"DSSTox_22320"	0	0	7.38504579656841	8.89827993446928	8.24282963236833	10.4569667494327	9.82349738330557	10.9426102659946	10.6358183689565	10.6972098924255	10.6344930297011	17.1290193087462	17.3120866144078	10.0843563801391	11.9087539221312	11.6233355241231	7.43604852350522	0
"C587655"	"587-65-5"	"2-Chloro-N-phenylacetamide"	"DSSTox_41409"	8.38882207579268	0	0	0	0	0	0	0	0	0	-1.20571302546658	0	4.92787550590275	0	0	0	0.512399763269124	0
"C587859"	"587-85-9"	"Diphenylmercury(II)"	"DSSTox_42130"	0	0	0	0	0	0	0	0	0	0	-0.92756760642536	0	0	4.05035381760476	2.20172914296626	10.6642418967377	-0.150007066444131	0
"C58846778"	"58846-77-8"	"Decyl beta-D-glucopyranoside"	"DSSTox_41208"	0	0	0	0	0	0	0	0	0	0	5.61052843660461	0	0	8.0559512830232	0	6.03217006763845	4.72528131999506	0
"C58855"	"58-85-5"	"Biotin"	"DSSTox_22679"	0	0	0	0	0	0	0	0	0	7.49394932643827	0	0	0	0	4.14029719862681	0	0	0
"C58866"	"58-86-6"	"D-Xylose"	"DSSTox_23745"	0	0	0	0	0	0	0	0	0	0	0	0	3.63151913502044	0	4.20689729246616	17.4551702799272	0	0
"C58899"	"58-89-9"	"Lindane"	"DSSTox_20686"	0	0	0	0	0	0.906581623099418	0	-0.389491715051222	0	-0.634444462555603	-2.34576611255721	-0.447936160648329	1.03485370413579	0	0	0	0	-1.36381156971037
"C58935"	"58-93-5"	"Hydrochlorothiazide"	"DSSTox_20713"	0	0	0	0	0	0	0	0	0	0	0	0	9.42646827283791	0	0	0	0	0
"C589684"	"589-68-4"	"Tetradecanoic acid, 2,3-dihydroxypropyl ester"	"DSSTox_42454"	0	0	0	1.89710207146739	3.6469652860231	0	0	0	0	4.27305395606407	7.95163474658892	0	0	0	0	0	6.52294946107375	0
"C5902512"	"5902-51-2"	"Terbacil"	"DSSTox_24317"	0	0	0	0	0	0	0	0	0	0	0	0	6.57277665456745	11.5991801811816	0	0	8.78602528618496	0
"C59052"	"59-05-2"	"Methotrexate"	"DSSTox_20822"	0	0	0	0	0	0	0	0	0	-9.8418581784192	0	0	-4.08686019692177	0	0	0	-4.93625867441427	-1.25042405281158
"C5915413"	"5915-41-3"	"Terbuthylazine"	"DSSTox_27608"	0	0	0	0	0	0	0	0	-2.2117968340702	0	0	3.33700776517402	0.603439924848062	-2.38248962871596	2.13670211212736	-0.806351256086018	0	0
"C59227893"	"59227-89-3"	"Laurocapram"	"DSSTox_42086"	0	-0.407139689128845	9.50576042565691	0	0.710950220734052	0	0	0	0	0	0.242915939565983	0	0	0	0	0	0.250732890192564	0
"C59303"	"59-30-3"	"Folic acid"	"DSSTox_22519"	0	0	0	0	0	0	0	0	0	13.3049930223587	0	0	0	12.1384075285107	4.36763015877344	0	0	0
"C59405"	"59-40-5"	"Sulfaquinoxaline"	"DSSTox_42424"	0	0	0	0	0	0	0	4.62046449763621	0	0	0	0	0	0	4.68339905408348	0	0	0
"C594207"	"594-20-7"	"2,2-Dichloropropane"	"DSSTox_30060"	0	0	0	0	0	0	0	0	0	0	0	3.92887932085658	4.61398555264767	0	3.72788197469714	18.3896750893489	0	0
"C59507"	"59-50-7"	"4-Chloro-3-methylphenol"	"DSSTox_21717"	5.59507163706877	6.53523128904989	0	5.37701340700568	4.40934512982424	4.90958474011067	4.73642851128332	5.0390397488523	4.85988345044034	0	0	5.29228476913876	4.96396506670317	0	4.23602262004229	12.8410245454448	0	0
"C59669260"	"59669-26-0"	"Thiodicarb"	"DSSTox_32578"	0	0	0	0	0	0	0	0	0	-3.42460175041453	-3.60320741223067	0	0	10.4004758076692	0	10.4790307813674	-0.889733596526567	0
"C59676"	"59-67-6"	"Nicotinic acid"	"DSSTox_20932"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13.9659961481857	0	2.07071537758231
"C59756604"	"59756-60-4"	"Fluridone"	"DSSTox_24107"	0	0	0	0	0	0	0	0	0	0	4.48291963048265	0	0	0	0	0	0	2.95093790870502
"C598550"	"598-55-0"	"Methyl carbamate"	"DSSTox_20834"	0	0	0	0	0	0	0	0	0	0	0	0	0	9.48527095330536	0	0	0	6.13983163406937
"C59870"	"59-87-0"	"Nitrofurazone"	"DSSTox_20944"	0	0	0	0	0	0	0	0	0	-2.90611881445107	0	0	-2.16380806688747	0	-0.781677891009375	-0.267332140307895	0	-2.70086744323104
"C599644"	"599-64-4"	"4-Cumylphenol"	"DSSTox_22536"	1.84541549089159	5.76318085321884	0	1.83596634300556	1.77181682365159	4.05688200116899	2.09386982933889	3.94535038549641	4.15798385061662	6.24728657100131	5.96004572784019	8.4545403628068	7.88345958007613	0.573310210755074	6.05383896553539	4.61551763419853	-0.841086080152582	-1.08053529554136
"C599791"	"599-79-1"	"Sulfasalazine"	"DSSTox_21256"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.5152557359238	0
"C60093"	"60-09-3"	"4-Aminoazobenzene"	"DSSTox_24460"	0	0	-3.73230101170373	-2.97930919266957	-3.30473288270315	-1.90865123789121	-2.41144106786152	-2.47072724371712	-2.49248375802246	0	0	-1.63274854352335	-1.61866264207282	0	-1.68903946415922	0	-2.33937697292387	0
"C60128"	"60-12-8"	"2-Phenylethanol"	"DSSTox_26342"	0	0	0	0	0	0	0	0	7.12895829753101	0	0	0	0	0	0	0	0	0
"C60168889"	"60168-88-9"	"Fenarimol"	"DSSTox_32390"	2.93715122684696	-1.43357247606845	0	0.124433170461403	-0.815314142820005	0.126477953739229	-0.433154735817424	-0.199024408557152	-0.191574626377274	-0.573698082843384	-0.614136072242111	1.57950780762298	0.968014393085283	-1.12853988187152	1.35463118158	1.01964806871767	-1.89315830460154	-1.83529464259244
"C602017"	"602-01-7"	"2,3-Dinitrotoluene"	"DSSTox_27236"	0	0	0	0	0	0	0	0	0	0	0	-2.34034675742601	-0.287954027555573	0	0	-1.54968147883037	0	0
"C60207901"	"60207-90-1"	"Propiconazole"	"DSSTox_24280"	0	0	0	0	0	0	0	0	0	0.704138204053803	0.951481236555129	0.137233353874549	4.69371079793763	0	0	0	-1.51529131553278	-1.12853443172181
"C60333"	"60-33-3"	"Linoleic acid"	"DSSTox_25505"	1.7819135698382	1.34603157499349	0.940403774830847	0	0	0	0	0	0	0	0	0	5.11819115480297	0	0	12.8080455971575	0.154076219474935	0
"C603350"	"603-35-0"	"Triphenylphosphine"	"DSSTox_26251"	9.94751485555688	0	0	4.7082564049225	0	5.63907693385841	4.57173866441214	5.93651652631004	5.01366965870678	6.03316188274731	4.38968286653692	7.18572651770912	6.3542478756004	0	0	0	0	0
"C60355"	"60-35-5"	"Acetamide"	"DSSTox_20005"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C604751"	"604-75-1"	"Oxazepam"	"DSSTox_21087"	0	0	0	0	7.07225944338639	0	0	0	0	0	0	11.1158543641345	10.7962477919897	11.5256237027852	0	18.211049758454	0	0
"C60515"	"60-51-5"	"Dimethoate"	"DSSTox_20479"	15.3854796106127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.0630318097841	18.2053551744216	0
"C605458"	"605-45-8"	"Diisopropyl phthalate"	"DSSTox_40731"	0	0	0	4.52137887275784	4.55063110061652	5.6184236666294	5.49462523050682	5.14855822785054	4.55913850062995	3.74309311621228	4.67666218251227	6.65377706257664	5.87840141201756	0	0	0	0	4.87436386760396
"C60548"	"60-54-8"	"Tetracycline"	"DSSTox_23645"	0	0	0	0	0	0	0	0	0	0	0	4.72939844199655	5.49383845012186	0	0	0	0	0
"C6055192"	"6055-19-2"	"Cyclophosphamide monohydrate"	"DSSTox_24888"	0	8.54963886489982	8.42190384504599	0	0	0	0	0	0	4.09484205121995	3.76692814990991	6.2977924410448	9.49679046092583	4.01545289638589	5.77668852226608	7.96014552941147	0	0
"C60560"	"60-56-0"	"Methimazole"	"DSSTox_20820"	0	0	0	0	0	0	0	0	0	0	0	0	4.43705584032106	5.69184009452568	6.22873380026543	0	0	0
"C60571"	"60-57-1"	"Dieldrin"	"DSSTox_20453"	0	0	0	0	0	0	0	-0.331243689060491	0	-1.25619713390903	-1.74764659447744	1.61617945680765	4.16165365928492	-1.46627923326873	-1.6867547266697	0.703126674067616	-3.26412111742931	-4.3577904159717
"C606202"	"606-20-2"	"2,6-Dinitrotoluene"	"DSSTox_20528"	0	5.86658127553382	0	0	0	0	0	0	0	0	0	0	0	0	3.93128689301907	0	0	0
"C6088513"	"6088-51-3"	"6-Hydroxy-2-naphthyl disulfide"	"DSSTox_25429"	2.04755441475356	4.51709853593493	4.13355232255511	1.95091506955061	3.69677322631239	4.36325631414914	3.36274577049352	3.66803926949333	4.20217465146822	2.01831415176753	0.633843934660216	6.20679033212219	5.76210960389231	0.870522677358289	1.13328168605425	6.0208856282847	-0.182837661714359	0
"C609541"	"609-54-1"	"2,5-Dimethylbenzenesulfonic acid"	"DSSTox_41641"	10.5644069019032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.06892877176938	0	0
"C611201"	"611-20-1"	"Benzonitrile, 2-hydroxy-"	"DSSTox_41661"	0	0	0	0	0	0	0	4.10247009438616	0	0	0	0	0	0	5.72352033753499	0	0	0
"C611701"	"611-70-1"	"Isopropyl phenyl ketone"	"DSSTox_48202"	0	0	0	0	5.5732489124922	0	0	0	0	0	0	11.6824026953922	12.478131500566	0	0	0	0	0
"C612828"	"612-82-8"	"3,3'-Dimethylbenzidine dihydrochloride"	"DSSTox_20511"	16.5297681453003	18.5673789728667	11.4299759008972	0	0	0	6.64157070995758	0	5.98804635266216	5.08302270311516	5.42373794978655	8.08348528899774	6.91177308937568	4.88946681619218	0	6.01747814924216	0	5.37926264126798
"C614459"	"614-45-9"	"tert-Butyl perbenzoate"	"DSSTox_24699"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C6149037"	"6149-03-7"	"Sodium 4-octylbenzenesulfonate"	"DSSTox_47594"	15.4119577847669	0	0	0	0	0	0	0	0	0	0	0	6.23379637674814	0	0	0	5.03095438548227	4.8606669305344
"C6152336"	"6152-33-6"	"Sodium 2-phenylphenate tetrahydrate"	"DSSTox_40794"	0	0	0	0	0	6.11799533222592	5.35900819809586	0	5.77866920270598	0	0	6.18275744449691	7.13567997517498	0	0	0	0	0
"C6153646"	"6153-64-6"	"Oxytetracycline dihydrate"	"DSSTox_23412"	0	0	0	2.33094045669171	0	5.29432836700661	0	0	0	0	0	0	0	0	0	0	0	0
"C616455"	"616-45-5"	"2-Pyrrolidinone"	"DSSTox_27246"	0	0	0	0	0	0	0	0	0	0	0	0	0	2.26479855807337	3.99591898594492	6.68327191845515	0	0
"C61734"	"61-73-4"	"Methylene blue"	"DSSTox_23296"	0	0	0	-2.75163558538459	5.00634622732353	-2.0029255302545	3.55769241362462	-1.21976672509246	4.07320689388186	0.514720337510667	-0.373134691861041	3.27631923951674	0	-0.619664612052023	9.51307101642954	0	0	-0.828513330011989
"C61791126"	"61791-12-6"	"Cremophor(R) EL"	"DSSTox_47696"	0	0	0	0	0	0	0	6.00308928304532	7.42099788275774	0	0	3.17115578909179	2.98346765014036	0	0	0	10.0257535727383	0
"C61825"	"61-82-5"	"Amitrole"	"DSSTox_20076"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.21162265618553	0	0	0
"C618451"	"618-45-1"	"3-Isopropylphenol"	"DSSTox_44571"	12.55348466441	0	0	5.26468296429707	0	4.74281865391773	4.86900869208612	4.01783740043876	5.16847634767187	0	0	4.17855230661955	4.57985962251142	0	9.08558038758358	0	0	0
"C6190654"	"6190-65-4"	"Deethylatrazine"	"DSSTox_37494"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.9945663872528	0	0
"C620177"	"620-17-7"	"3-Ethylphenol"	"DSSTox_22480"	0	0	0	0	0	0	4.74647077116992	5.51231784281171	3.28946219785815	0	0	2.9874708548296	0	22.4877810245444	5.26582929904689	0	0	0
"C621647"	"621-64-7"	"N-Nitrosodipropylamine"	"DSSTox_21032"	0	0	15.4511890469892	0	0	0	0	0	0	0	0	0	4.97400293149138	0	0	8.179097216192	0	0
"C62237"	"62-23-7"	"4-Nitrobenzoic acid"	"DSSTox_20966"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.05649373651008	0	0
"C622979"	"622-97-9"	"4-Methylstyrene"	"DSSTox_20889"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.07071541269915	0	0	0
"C62384"	"62-38-4"	"Phenylmercuric acetate"	"DSSTox_21150"	0	2.66602523720131	0	0	0	0	0	0	0	-3.9581329392283	-3.47009560787007	0	0	-2.59111021416614	0	0	-0.451688207650645	-2.70396334259068
"C625558"	"625-55-8"	"Isopropyl formate"	"DSSTox_27258"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.89607978677165	0	21.4352108810177	0
"C62566"	"62-56-6"	"Thiourea"	"DSSTox_21348"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.59439880574121	0	21.1375197957063
"C6259763"	"6259-76-3"	"Hexyl salicylate"	"DSSTox_38924"	0	0	0	4.10961526405373	0	4.57438509188421	0	0	0	0	0	3.87051019706165	5.71939176973791	0	4.82465113474578	6.71255670787179	0	0
"C626437"	"626-43-7"	"3,5-Dichloroaniline"	"DSSTox_30307"	0	0	15.0682990121725	0	0	0	3.93174919021025	0	5.33862695080666	0	0	0	0	4.4728966231891	4.01057085532057	0	0	0
"C62737"	"62-73-7"	"Dichlorvos"	"DSSTox_20449"	0	0	0	0	0	0	0	0	0	0	0	0	5.16274289164633	2.49025480723245	-1.39665264575547	0	0	0
"C62748"	"62-74-8"	"Sodium fluoroacetate"	"DSSTox_24311"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.18544276282238
"C62759"	"62-75-9"	"N-Nitrosodimethylamine"	"DSSTox_21029"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C627930"	"627-93-0"	"Dimethyl adipate"	"DSSTox_25096"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.44243987083936	0	0	0
"C6285058"	"6285-05-8"	"Ethyl 4-chlorophenyl ketone"	"DSSTox_48203"	0	0	0	0	0	0	0	0	0	0	0	3.60309021598193	4.4232778900781	0	0	0	0	0
"C628637"	"628-63-7"	"Pentyl acetate"	"DSSTox_27263"	0	0	0	0	0	0	0	0	13.2965697309617	0	0	0	0	0	0	0	-4.70661758825158	0
"C62924703"	"62924-70-3"	"Flumetralin"	"DSSTox_32553"	0	0	0	0.0657608264975563	0.524280746758401	0.51520552639738	1.01585129028169	-1.66121568314288	0.964745738474737	0.563910829503087	1.71076927623845	1.78991706836715	2.88207039878771	-1.06664965136316	-0.000888519178672574	1.26149424662749	-2.14709062540106	-2.79957014844195
"C629629"	"629-62-9"	"Pentadecane"	"DSSTox_27268"	11.4415341678465	0	0	0	0	0	0	0	0	6.8442171182049	0	0	4.79808209533722	0	0	0	0	0
"C629765"	"629-76-5"	"1-Pentadecanol"	"DSSTox_27270"	0	0	0	0	0	0	0	0	0	4.13404864959305	0.507217913497557	0	0	0	-0.136172153031307	0	2.34139865258537	0
"C630568"	"630-56-8"	"Hydroxyprogesterone caproate"	"DSSTox_43915"	0	0	0	0	0	2.07746199038125	2.53761751294271	3.23881979129984	2.68845203376528	0	-0.687808572909097	0	0	0	0	14.4703662421857	0.163770742928938	-1.02880717372937
"C63058"	"63-05-8"	"4-Androstene-3,17-dione"	"DSSTox_24523"	0	0	0	0	2.87932986670173	0	0	0	0	0	0	15.8547306065489	15.8807416212174	-2.49249043690926	4.94979923700837	-1.63070310437478	0	0
"C6317186"	"6317-18-6"	"Methylene bis(thiocyanate)"	"DSSTox_25599"	0	0	0	0	0	0	0	0	0	-3.42823699933362	0	0	0	-2.70634364025543	0	10.3482115343977	5.59314346150505	-2.89089371534077
"C63252"	"63-25-2"	"Carbaryl"	"DSSTox_20247"	0	0	1.39137098779912	0	0	-1.56998111784035	-0.179582709716046	-2.02908984260051	-0.391677304723573	0	0	-2.16563406636949	-2.22804266671561	0	0	0	0	0
"C633965"	"633-96-5"	"C.I. Acid Orange 7"	"DSSTox_38881"	0	0	0	0	0	0	0	0	0	0	0	5.99756874469721	5.76920241567729	0	0	0	0	6.09887303793495
"C63423"	"63-42-3"	"Lactose"	"DSSTox_23193"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.97513666145517	8.42550509649671	0	0
"C6344678"	"6344-67-8"	"3-Hydroxyfluorene"	"DSSTox_47540"	-0.224669402299659	-0.583866699806258	0	-1.11187868645537	-1.74204811262293	-0.08573758868583	-1.17432781120236	0.486608205986542	0.832986786316108	-0.204085100594356	-0.917120994491253	2.43408467657596	2.11268115539067	-2.03872477596765	-1.10960232176962	0	0	0
"C63449412"	"63449-41-2"	"C8-18-Alkydimethylbenzyl ammonium chlorides"	"DSSTox_48122"	0	0.889468300675622	8.05859572734422	0	0	0	3.02017647818407	0	3.91949535716468	1.03257221645042	1.19587467897706	2.46766846637226	4.6691239912034	0.189319354384445	3.00617697969419	6.91103213463922	0.396184471913604	-0.732968275681377
"C6359826"	"6359-82-6"	"Acid Yellow 11"	"DSSTox_47451"	0	0	0	0	0	0	0	0	0	0	0	0	0	8.59971234691536	0	0	17.9593866043903	0
"C6359906"	"6359-90-6"	"C.I. Acid Yellow 34, monosodium salt"	"DSSTox_41646"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.32740479219859	0
"C6359984"	"6359-98-4"	"C.I. Acid Yellow 17, disodium salt"	"DSSTox_41719"	0	0	0	0	7.45896649796506	0	0	0	0	0	0	0	0	17.281391915343	0	18.7911804173032	0	0
"C63612500"	"63612-50-0"	"Nilutamide"	"DSSTox_34165"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.26121314117366	-2.14394860206987
"C636215"	"636-21-5"	"2-Methylaniline hydrochloride"	"DSSTox_21364"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.71613620332471	0
"C637070"	"637-07-0"	"Clofibrate"	"DSSTox_20336"	0	0	0	0	0	5.94610644974509	0	0	0	0	0	0	4.58086726767715	0	0	0	0	0
"C6381777"	"6381-77-7"	"Sodium erythorbate (1:1)"	"DSSTox_20570"	0	5.72421413286979	0	0	0	0	0	0	0	0	0	4.62598737653493	6.2518411012425	0	4.5652665953137	6.32547338160637	13.0980168411593	0
"C64108"	"64-10-8"	"Urea, phenyl-"	"DSSTox_42507"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C6422862"	"6422-86-2"	"Bis(2-ethylhexyl) terephthalate"	"DSSTox_27625"	0	0	0	0	0	0	0	0	0	2.46291132217235	0	0	0	0	0	0	8.31497657639063	0
"C64359815"	"64359-81-5"	"4,5-Dichloro-2-octyl-3(2H)-isothiazolone"	"DSSTox_32315"	-1.50588469734171	4.71615116148685	-1.87467303697553	0	0	0.0711499208738103	0	0	0	-3.52725804812002	0	0.394661548026363	-0.280297810102939	-5.44168891984995	0	10.868445587864	-2.67307692553172	-2.76143797122205
"C643798"	"643-79-8"	"1,2-Benzenedicarboxaldehyde"	"DSSTox_32514"	6.39959299942536	-1.99814252449395	0	0	0	0	-0.269676820628605	0	0	0	-1.99389887471781	0	0	-2.86203701990034	-0.499406778536588	0	-3.17135604030644	0
"C644973"	"644-97-3"	"Phenyl phosphorus dichloride"	"DSSTox_27282"	0	0	15.3949511250597	9.16406727319341	0	0	4.33742217486354	0	0	1.89710206587055	2.57540623700311	0	0	0	0	0	0	0
"C645567"	"645-56-7"	"4-Propylphenol"	"DSSTox_22100"	0	0	0	4.40390874928711	5.3982764163761	5.1022956573172	4.73027179995966	5.31321542284569	4.71940955391139	0	0	7.07412936655441	5.68610523609476	4.70390578017287	6.22429914497532	5.75596066589676	0	0
"C645625"	"645-62-5"	"2-Ethyl-2-hexenal"	"DSSTox_25296"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C6459945"	"6459-94-5"	"C.I. Acid Red 114"	"DSSTox_21224"	5.55042747331455	6.88810994613716	10.6536044046139	0	4.56206591399677	0	0	5.59198292042385	0	0	0	0	0	0	0	0	6.22564688659352	5.76576255655262
"C64675"	"64-67-5"	"Diethyl sulfate"	"DSSTox_24045"	0	0	0	0	0	0	0	0	0	0	7.62017038734488	0	0	0	0	0	0	0
"C64700567"	"64700-56-7"	"Triclopyr-butotyl"	"DSSTox_32579"	0	0	0	0	0	0	0	0	0	0	0	5.65607456628545	4.74191696531206	0	0	6.51438068997069	4.22747045901723	0
"C647427"	"647-42-7"	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	"DSSTox_44572"	0	0	0	0	3.60290120586733	8.95583243559768	7.39758890252206	0	5.29275728165342	7.47415374030942	5.46812969069283	5.23555750729934	5.8176364249927	0	4.0530181521374	0	0	0
"C6485401"	"6485-40-1"	"R-(-)-Carvone"	"DSSTox_41413"	12.675652811117	0	0	0	0	0	0	0	0	5.76606728468829	0	5.11375335598718	4.32708910344882	0	0	19.1302611741046	0	0
"C64868"	"64-86-8"	"Colchicine"	"DSSTox_24845"	0	0	0	0	0	0	0	0	0	0	0	0	0	-1.27611120020102	0	0	0.548781331956226	-2.39304607421411
"C648917139"	"648917-13-9"	"AVE2865"	"DSSTox_47376"	0	0	0	0	0	0	0	0	0	0	0	0	8.79564730257513	0	0	-1.17163581537194	0	0
"C65236"	"65-23-6"	"Pyridoxine"	"DSSTox_23541"	0	0	0	0	0	0	0	0	0	0	0	0	4.63495902996849	0	0	0	0	0
"C65277421"	"65277-42-1"	"Ketoconazole"	"DSSTox_29879"	0	0	0.673708036417042	0	0	0	0	0	0	-1.48257374746831	0	0	0	-0.0452825732629631	0	16.599269576042	-0.279175853684921	-0.48009867322099
"C654055013"	"654055-01-3"	"Morin hydrate"	"DSSTox_40776"	7.37906005311809	8.80699195436817	0	0	0	0	0	0	0	0	0	4.54045642342062	12.3346509508356	0	5.18945446506226	4.98923325974145	4.92568011330355	0
"C65452"	"65-45-2"	"Salicylamide"	"DSSTox_21726"	0	0	0	0	0	0	0	0	0	1.89710205612943	0	0	0	0	0	0	0	0
"C657841"	"657-84-1"	"Sodium 4-methylbenzenesulfonate"	"DSSTox_42415"	0	0	0	0	0	0	0	0	0	9.40145205200229	13.2171999535034	0	0	0	0	0	0	0
"C65850"	"65-85-0"	"Benzoic acid"	"DSSTox_20143"	0	0	0	0	0	0	0	0	0	8.55762124074096	0	0	0	0	0	5.59344346282491	14.286933447089	0
"C6610293"	"6610-29-3"	"N-Methylhydrazinecarbothioamide"	"DSSTox_44390"	0	0	0	0	-0.990805561660896	0	0	0	0	0	0	0	0	0	-1.3920866035052	0	-1.81118683019336	0
"C66215278"	"66215-27-8"	"Cyromazine"	"DSSTox_23999"	0	0	0	0	0	0	0	0	10.4160487190606	0	18.3111026282664	0	5.40203182865415	0	4.01428480634121	4.01925075402307	0	0
"C66230044"	"66230-04-4"	"Esfenvalerate"	"DSSTox_32667"	0	0	0	0	0	0	0	0	-0.686467930980699	0	0	-0.439775907935966	-0.333965629874084	-2.76592304511494	-2.21604144228207	0	0	-6.59154147340424
"C6624733"	"6624-73-3"	"Pentane-1,5-diyl dibenzoate"	"DSSTox_47538"	0	0	0	-1.80874024996623	0	-0.527388936767252	-0.231016742483538	-0.617813959979216	-0.30754459516053	0	-0.426788280710469	0	0	0	-1.31403060338902	0	0	0
"C6625463"	"6625-46-3"	"C.I. Acid Violet 12, disodium salt"	"DSSTox_41715"	0	0	0	5.32185846255212	6.85013113204248	0	0	0	0	0	0	4.39667828521804	4.46866419770338	0	0	0	0	5.52429013160027
"C66273"	"66-27-3"	"Methyl methanesulfonate"	"DSSTox_20845"	0	12.9848764410323	9.74093447163179	0	0	0	0	0	0	20.5409695571935	0	0	0	0	0	4.96550168807308	0	0
"C66332965"	"66332-96-5"	"Flutolanil"	"DSSTox_24109"	0	0	0	0	0	0	0	0	0	0	0	0	0.0777293928005967	0	0	0	0	-4.12307026895156
"C66357355"	"66357-35-5"	"Ranitidine"	"DSSTox_45191"	0	0	0	0	0	0	0	0	0	0	5.61787894234035	0	0	0	4.52216804478099	0	0	0
"C66441234"	"66441-23-4"	"Fenoxaprop-ethyl"	"DSSTox_32392"	0	0	0	0	0	0	0	-1.1903967496861	0	3.99397807886675	0.982540893773787	0	0	6.21987196649004	-2.15532967291008	3.30897879673168	-0.568956863116114	0
"C66456539"	"66456-53-9"	"Adipic acid, polypropyleneglycol, laurate"	"DSSTox_47527"	0	0	0	0	0	0	0	0	0	8.20552517207933	0	0	0	4.69316892752586	0	0	11.099919560245	0
"C66575299"	"66575-29-9"	"Forskolin"	"DSSTox_40484"	0	0	0	0	0	0	0	0	0	0	0	4.92254228378307	6.03425158588873	-1.50122760734442	0	3.95608383488216	0	-0.0219803951797314
"C66717"	"66-71-7"	"1,10-Phenanthroline"	"DSSTox_25857"	0	0	-4.36198552158708	0	0	0	0	0	0	0	0	0	0	-4.20900090848128	0	8.09510908132308	-3.04968510039913	-2.54715000584456
"C66819"	"66-81-9"	"Cycloheximide"	"DSSTox_24882"	0	1.39788106508406	-2.67727743623465	0	0	0	0	0	0	0	0	0	0	6.04933108867487	0	0	-3.53444896144059	3.90371186404098
"C6683198"	"6683-19-8"	"Irganox 1010"	"DSSTox_27633"	0	0	7.30217600692755	0	0	0	0	0	0	0	3.63348274302014	4.91668162355465	7.01575221730018	5.91584791707541	9.24263033757668	13.2877218165879	11.6269464680574	0
"C668981020"	"668981-02-0"	"CP-863187"	"DSSTox_47294"	2.85102678416561	-0.861669704098713	0	-3.56194875155762	0	0	0	0	0	0	0	3.57849464116683	0	0	0	-3.52587671506162	-2.92255480132081	-2.70867954095383
"C6706598"	"6706-59-8"	"L-Glucitol"	"DSSTox_42096"	0	0	0	0	0	0	0	0	0	0	0	7.33398466534597	5.86435396880298	0	0	6.56434656502932	0	0
"C67209"	"67-20-9"	"Nitrofurantoin"	"DSSTox_20972"	0	0	8.96790946673656	0	0	0	0	0	0	0	0	-0.390138510420142	-0.788707409637156	0	0	-0.256207714464007	-1.24453577635899	0
"C6728263"	"6728-26-3"	"(2E)-2-Hexenal"	"DSSTox_41425"	0	0	0	0	0	0	0	0	0	7.99555714173275	0	0	0	0	0	0	0	0
"C67301"	"67-30-1"	"Tetrac"	"DSSTox_48186"	0	0.0902580621700196	9.27078884209917	0	0.832206669439802	0	0	0	0	-1.11819472572276	-1.90346785456582	0	7.54343114976605	0	-2.79774295119273	0	0.0643990945199822	0
"C6734801"	"6734-80-1"	"Metam-sodium hydrate"	"DSSTox_40361"	0	0	0	0	-1.87207606498182	0	0	0	0	0	0	0	0	1.20731090000885	0	0	-4.67589980691873	0
"C67485294"	"67485-29-4"	"Hydramethylnon"	"DSSTox_23868"	0	1.36086802344227	0	0	0	0	0	0	0	-1.31849568629183	0.496286072191302	3.0744676127617	5.87151664303761	-1.27554883054383	2.82498540883384	8.98291507567706	1.57227971757525	-1.6296300910188
"C67564914"	"67564-91-4"	"(2R,6S)-Fenpropimorph"	"DSSTox_34601"	0	0	0	-1.01797666913152	0	0	1.14955521848534	2.31140059915046	0	-1.5836341860557	0	0.494265719997717	0	-0.632737244144563	0	0	0	-0.458910300279126
"C676116044"	"676116-04-4"	"PD 0343701"	"DSSTox_47271"	0	0.163587989574478	0	0	0	0	0	0	0	-0.326672953936201	-0.0256088014962459	9.1002744427843	4.01665117302969	0	0	0	0.409503844400978	-0.461799345403506
"C67685"	"67-68-5"	"Dimethyl sulfoxide"	"DSSTox_21735"	0	0	15.4807355162255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C67747095"	"67747-09-5"	"Prochloraz"	"DSSTox_24270"	0	0	0	0	0	0	0	0	0	5.68766149587532	-1.05694337031519	0	6.4194249809959	0	0	0	-2.14139511620761	-1.78610681395707
"C67786145"	"67786-14-5"	"Acid Red 337"	"DSSTox_44713"	0	0	0	0	0	0	0	0	0	0	0	0	6.0489824146101	0	0	0	0	4.15614730646742
"C678397"	"678-39-7"	"1,1,2,2-Tetrahydroperfluoro-1-decanol"	"DSSTox_29904"	0	8.70633081491257	0.236040490196128	0.931238013930873	-0.524146150374144	-0.271902222533739	-1.84326827985587	0.974316776139301	-0.0177357358404782	3.00435436099637	-4.08067455074237	-0.281179894064189	1.28088893964743	0	0	0	0	0
"C6789884"	"6789-88-4"	"Hexyl benzoate"	"DSSTox_25403"	0	0	0	0	0	5.62683990050213	0	0	0	0	4.72795157197252	0	0	0	0	19.1600746352698	0	19.1449084079815
"C68111"	"68-11-1"	"Thioglycolic acid"	"DSSTox_26141"	0	0	0	0	0	0	0	0	0	0	0	12.0801834704461	12.1826366394469	0	2.07071539680344	0	0	0
"C68122"	"68-12-2"	"N,N-Dimethylformamide"	"DSSTox_20515"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C68157608"	"68157-60-8"	"Forchlorfenuron"	"DSSTox_34634"	0	0	0	0	0	0	0	0	0	0	-2.08221453016999	0	0	-0.360738906997468	0	0	0.426295358363695	-0.674844224482913
"C68169039"	"68169-03-9"	"2-(Dihydrocyclopentadienyloxy)ethyl methacrylate"	"DSSTox_41302"	0	0	0	1.89710228008931	0	4.80707625767975	4.35487763669048	0	4.77600950006169	0	5.35742402844568	3.57634724394112	5.59590484512726	0	0	0	0	0
"C682019"	"682-01-9"	"Tetrapropyl orthosilicate"	"DSSTox_42382"	0	0	0	0	0	5.75960892915585	0	0	0	0	0	0	0	0	0	0	0	0
"C68224"	"68-22-4"	"Norethindrone"	"DSSTox_23380"	2.80956587156279	5.67773314416918	1.8890879113151	-1.183947200672	-1.58296426468501	-0.538043313717183	-1.05873197257146	-1.49085912640534	-1.45483583418678	4.5557778716769	2.75135271726216	10.4678157746912	10.9037298505407	4.88124313007223	10.6186573900564	5.6108390305691	0	-3.76696852622383
"C68268"	"68-26-8"	"Retinol"	"DSSTox_23556"	0	0	0	0	0	0	0	-1.79895213456381	0	0	-1.91344748257447	3.15080270776499	1.80033576262815	0	0	11.1426598919429	-2.06009525417813	1.36728160392273
"C683181"	"683-18-1"	"Dibutyltin dichloride"	"DSSTox_27292"	0	-5.38149191121909	-0.136978907698306	0	0	0	0	0	0	-2.22726287001199	-1.9010924425888	-0.462082513630683	1.98021500923488	-5.68247879172269	5.54298421306005	0	6.49576488621108	-1.98492995485647
"C68359375"	"68359-37-5"	"Cyfluthrin"	"DSSTox_35957"	0	0	0	0	0	0	0	0	0	1.67794117590471	1.60597123306291	0	0.27346057579128	0	0	0	-0.565246500211721	-3.6060162228129
"C68392358"	"68392-35-8"	"4-Hydroxytamoxifen"	"DSSTox_37094"	14.5661026769435	14.3665321355626	9.21653885144874	9.93581759434917	9.91297189988985	10.3825463375952	10.0759417569402	11.7032182018941	10.5897413953509	15.3769821711262	20.5192609695546	0	0	13.0663484577346	0	0	12.1781037008975	8.68981977037211
"C6846500"	"6846-50-0"	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	"DSSTox_27635"	0	0	9.25880158130866	0	0	0.418678521021555	0	0	0	-1.00101074092394	0	-0.82132559099573	-1.08300769217992	0.42486325610279	4.7622194769362	0	0	0
"C684935"	"684-93-5"	"N-Nitroso-N-methylurea"	"DSSTox_21006"	0	0	0	5.05441175190661	0	0	3.90877221365308	0	0	0	8.01632372821558	0	0	0	0	15.5130348960303	0	0
"C68515480"	"68515-48-0"	"DINP branched"	"DSSTox_28665"	0	0	0	7.26634848769779	6.81761914689179	0	5.60587053916094	0	0	0	0	0	0	0	0	1.89710213046817	9.42134755529526	0
"C68515491"	"68515-49-1"	"1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich"	"DSSTox_28666"	0	0	0	0	0	0	0	0	0	0	0	0	0	10.4082701111062	0	0	9.46975296590788	0
"C68515753"	"68515-75-3"	"Hexanedioic acid, di-C7-9-branched and linear alkyl esters"	"DSSTox_47517"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.41593899794638	8.99690615327655
"C68555862"	"68555-86-2"	"Acid Orange 156"	"DSSTox_44718"	0	0	0	0	0	0	0	0	0	0	0	6.2268699701104	6.23457422484858	0	0	0	0	0
"C68609972"	"68609-97-2"	"C12-14-Alkyl glycidyl ether"	"DSSTox_28774"	0	0	0	7.09703819265356	3.80904952261991	0	3.92602896508985	0	5.4323361333463	0	0	0	0	0	0	0	0	0
"C68694111"	"68694-11-1"	"Triflumizole"	"DSSTox_32500"	0	0	0	0	0	0	3.36178154818253	1.14886148618536	2.17930418610551	0	0	0	4.51214116082843	-3.82640745458349	0	0	-0.673029722466411	-1.61855777832429
"C68917180"	"68917-18-0"	"Cornmint oil"	"DSSTox_47712"	0	0	0	0	0	0	0	0	0	0	0	4.43935815015445	5.1983919631451	0	3.03927131978435	0	0	0
"C6893023"	"6893-02-3"	"3,5,3'-Triiodothyronine"	"DSSTox_23216"	7.38573396894965	7.403755098441	9.91416707985227	5.84504158183433	5.38674453368148	5.38868748149509	5.58531885340309	0	0	0	4.80427130174081	7.91134017969664	7.64927629057135	0	5.12488925811373	6.20399565487242	12.0308721775247	14.6047065420106
"C68959206"	"68959-20-6"	"Disiquonium chloride "	"DSSTox_35589"	8.12499572007077	0	0	0	3.57754044348877	0	1.99021698420267	0	2.73569554237766	-1.36382161081417	-1.04485437619588	0	0	-0.461073588198271	0.68697706246283	0	0	0
"C68962"	"68-96-2"	"17alpha-Hydroxyprogesterone"	"DSSTox_40747"	0	10.3395936358278	0	0	0	0	0	0	0	0	0	11.6760595631851	14.4338282745019	0	2.07071581402794	14.4110433833146	0	4.44159952577319
"C69090"	"69-09-0"	"Chlorpromazine hydrochloride"	"DSSTox_24827"	0	0	7.47221562966545	0	0	0	0	0	0	6.03879997838184	1.0885574157469	0	0	0	0	0	-1.16400533577502	-2.20809225699021
"C6915157"	"6915-15-7"	"Malic acid"	"DSSTox_27640"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C6923224"	"6923-22-4"	"Monocrotophos"	"DSSTox_34816"	0	0	0	0	0	0	0	0	0	7.50430233850641	0	0	0	5.06537772070288	0	0	0	0
"C692864"	"692-86-4"	"Ethyl undec-10-enoate"	"DSSTox_44828"	0	0	0	0	0	0	0	0	0	0	0	0	4.09458707983927	0	0	0	0	0
"C69327760"	"69327-76-0"	"Buprofezin"	"DSSTox_34401"	0	0	0	0	0	0	0	0.720697313087427	0	0	-1.05960952512396	0	20.1196835274399	0	0	12.0757347547509	-0.580019122402052	-1.15122406974119
"C69377817"	"69377-81-7"	"Fluroxypyr"	"DSSTox_34627"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16.8196684271096	15.8683693793973
"C695067"	"695-06-7"	"gamma-Caprolactone"	"DSSTox_41298"	0	0	0	0	0	0	0	0	0	0	0	0	0	15.7420537549459	4.47831606707445	18.3368804066648	0	0
"C69655056"	"69655-05-6"	"2',3'-Dideoxyinosine"	"DSSTox_22927"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.70811925120257	8.05570237557199	0	0
"C69658"	"69-65-8"	"D-Mannitol"	"DSSTox_23235"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C69727"	"69-72-7"	"Salicylic acid"	"DSSTox_26368"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C69749"	"69-74-9"	"Cytarabine hydrochloride"	"DSSTox_24891"	0	-4.22087783266573	0	0	0	0	0	0	0	-5.33714314286088	-5.90656146923037	-4.75423752396368	-2.40447425496993	0	-5.04376553795132	0	0	3.57260400779856
"C69806402"	"69806-40-2"	"Haloxyfop-methyl"	"DSSTox_24123"	0	0	14.3932954982733	0	0	0	0	0	0	0	0	0	0	0	0	18.0810884646959	4.31586746450434	0
"C69806504"	"69806-50-4"	"Fluazifop-butyl"	"DSSTox_34612"	0	0	0	0	0	0	0	0	0	5.91903347046194	10.429092580369	0	4.71602905102281	0	0	18.2994978240322	13.1083214384502	2.07071554342249
"C7011838"	"7011-83-8"	"2(3H)-Furanone, 5-hexyldihydro-5-methyl-"	"DSSTox_41299"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C70553"	"70-55-3"	"4-Toluenesulfonamide"	"DSSTox_29105"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16.2148638761878	0	0
"C705602"	"705-60-2"	"(2-Nitro-1-propenyl)benzene"	"DSSTox_41188"	0	0	1.66771555082279	0	0	0	0	0	0	0.731499805906532	0.369232210286705	1.21388031999585	0	-0.290086569225769	0	0	-1.54214222307223	0
"C70568604"	"70568-60-4"	"4-Butylcyclohexanol"	"DSSTox_48204"	0	0	0	0	0	5.39487800101068	0	0	5.70753651564666	0	0	5.23595673464375	2.98229033939678	0	0	0	0	0
"C706149"	"706-14-9"	"gamma-Decanolactone"	"DSSTox_22109"	0	0	0	0	0	0	0	0	0	5.56519351338586	0	0	0	14.4665103361077	0	0	0	0
"C7080504"	"7080-50-4"	"Chloramine-T trihydrate"	"DSSTox_40795"	0	0	0	0	4.0612157586919	0	0	0	5.24664458942244	0	0	0	0	3.07766403857688	4.20845094039394	0	0	0
"C709988"	"709-98-8"	"Propanil"	"DSSTox_22111"	0	0	0	0	0	0	0	0	0	0	0	0	-0.327735040051777	0	0	0	0	-1.58815240837569
"C71238"	"71-23-8"	"1-Propanol"	"DSSTox_21739"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.81228650409943	0	0
"C712505"	"712-50-5"	"Cyclohexylphenylketone"	"DSSTox_48182"	0	0	0	5.32398857376436	0	5.18104171317977	4.77509018950314	4.91900696941405	6.27322322919886	0	0	7.42051380495333	7.09448270433976	0	0	8.37519754536199	0	0
"C71283802"	"71283-80-2"	"Fenoxaprop-P-ethyl"	"DSSTox_34598"	0	0	0	0	0	0	4.43923981525192	0	4.54902460798029	8.43008901216039	0	0	0	0	0	15.0720487116273	5.49226106898237	0
"C71526073"	"71526-07-3"	"MON-4660"	"DSSTox_44575"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-11.1195296572493
"C7173515"	"7173-51-5"	"Didecyldimethylammonium chloride"	"DSSTox_32537"	0	-2.04927009310414	1.11907377347487	0	0	0	0	0	0	-1.22846113540649	-0.352931886457027	0	0	-3.27756392467474	0	3.55042500796395	0	-2.702846104422
"C71751412"	"71751-41-2"	"Abamectin"	"DSSTox_23892"	0	0	0	0	0	0	0	0	0	-1.31740732476209	-0.964804435514153	0	0	-2.84280877051562	0	0	-0.113516371097517	-2.51017387259471
"C717748"	"717-74-8"	"1,3,5-Triisopropylbenzene"	"DSSTox_41232"	0	0	0	0	0	0	0	0	0	0	0	4.73350076750248	4.48101881255129	0	0	0	0	0
"C7212444"	"7212-44-4"	"Nerolidol"	"DSSTox_22247"	0	0	0	0	0	0	0	4.18155702910646	0	4.22340612463386	5.33837572918989	7.69161642805385	4.85549161368117	0	0	0	0	0
"C72178020"	"72178-02-0"	"Fomesafen"	"DSSTox_24112"	0	0	0	0	0	0	0	0	0	0	0	0	5.72756477120424	0	0	0	9.37102203958461	0
"C72208"	"72-20-8"	"Endrin"	"DSSTox_20561"	0	0	8.44260313928321	0	0	0	-0.899235308330764	-0.65184759807869	-1.13072591474355	-0.874988596427403	-1.29961337192318	-0.929112612148584	5.32522835877202	0	-1.22999415343755	-2.23239575897569	0	-3.52087321217061
"C72333"	"72-33-3"	"Mestranol"	"DSSTox_20814"	17.2687181475189	25.417259463876	0	7.59688846189935	10.3193593581886	11.4081208706966	9.65846007656196	9.26567273785706	9.31922319734416	17.8215454325943	15.8514305146557	15.814208086181	21.4122135955327	16.1063370095505	24.1781091018942	20.1425872713481	0	4.10235970956243
"C72435"	"72-43-5"	"Methoxychlor"	"DSSTox_20827"	0	1.14994588414397	0	0.139045055067143	1.82588182740514	0.373291076150895	1.84751088682423	1.36282359006247	2.05438893335049	2.48537489809913	2.22200173485835	4.25586180553245	2.59382269224458	-1.97279647851656	0.306740758872112	0.285281942735144	-2.13817160854758	0
"C72490018"	"72490-01-8"	"Fenoxycarb"	"DSSTox_32393"	0	0	0	0	0	0	0	-0.445923506376425	0	1.70292404819427	1.86701055870526	0.758643613910248	0.999704398492453	-2.32131942031224	1.57689585353576	0	-1.44789337467246	-1.79701880749557
"C725228455"	"725228-45-5"	"AVE5638"	"DSSTox_47371"	0	-1.71721982710205	0	0	1.81987217381387	0	1.77890429497097	0	0.736835620525788	6.17494653329773	2.67992847769195	0.685072818546732	3.93435615140039	-3.73450947994175	0	0	-1.71667630308117	4.8503208603413
"C72548"	"72-54-8"	"p,p'-DDD"	"DSSTox_20373"	0	0	0	0	0	-0.192993617736101	0	0.714621820244863	3.57396373358338	0.870606794936878	1.19509969276313	0.842357870209335	0.639545816544278	4.43924812580431	0.664214807716083	0	-1.46758203295626	0
"C72559"	"72-55-9"	"p,p'-DDE"	"DSSTox_20374"	0	0	0	-1.15848627362947	1.20791094484796	-0.837948999363304	0.581919107231134	0.184732082222188	0.951615932573771	0.489975364428673	1.05182936595484	3.09967061061321	0.726435149187444	1.2264917275271	1.24208908997236	0	0	0
"C7287196"	"7287-19-6"	"Prometryn"	"DSSTox_24272"	0	0	0	0	0	0	0	0	0	0	0	0	5.88589910152581	6.3257421051678	0	0	5.46528120888147	3.99058536627179
"C732116"	"732-11-6"	"Phosmet"	"DSSTox_24261"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.0589408649535	0	0	0
"C73223"	"73-22-3"	"l-Tryptophan"	"DSSTox_21419"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C732263"	"732-26-3"	"2,4,6-Tris(tert-butyl)phenol"	"DSSTox_21311"	0	0	0	0	0	-0.841155839879796	0	0.292226848630629	2.48445498868699	0	-1.58454443693949	0	6.83612413877209	0	0	-3.62599814992417	0	0
"C73314"	"73-31-4"	"Melatonin"	"DSSTox_22421"	0	0	0	0	5.57664793019863	0	5.02163415690691	0	0	0	0	6.18860933608047	0	0	4.43527474126093	0	0	0
"C7378996"	"7378-99-6"	"N,N-Dimethyloctylamine"	"DSSTox_36299"	0	0	0	0	0	0	0	0	0	6.85380299510952	7.1399715962791	0	2.98329620046514	15.7028253080118	3.93042763595898	17.5611980123411	0	0
"C7398698"	"7398-69-8"	"Dimethyldiallylammonium chloride"	"DSSTox_27650"	0	0	0	7.50977248031479	5.42509657719448	0	4.01117406868745	0	0	7.05264391256614	0	0	0	0	0	7.40850603005128	0	0
"C74051802"	"74051-80-2"	"Sethoxydim"	"DSSTox_24304"	0	0	15.4632011929183	0	0	0	0	0	0	5.7743442655114	3.95703667240417	0	0	0	0	0	6.87619872019769	0
"C74115245"	"74115-24-5"	"Clofentezine"	"DSSTox_23881"	0	0	0	0	0	0	0	0	0	0	0	0	-0.168015412634245	0	3.89653882168229	0	0	0
"C741582"	"741-58-2"	"Bensulide"	"DSSTox_32329"	0	0	0	0	0	0	0	0.275894828624097	1.17994643251727	1.57085945854119	-2.23220160270852	0	0	-3.85436087648125	0	0	-2.29992714854461	-2.0400927118286
"C742693385"	"742693-38-5"	"SSR504734"	"DSSTox_47348"	0	0	0	0	0	0	1.67674557924001	0	2.08298863995479	-2.49772234734422	0	0	3.22314373684138	-0.536980613982831	-1.22855688653187	0	-1.21261585914685	-2.63656986877316
"C744456"	"744-45-6"	"Diphenyl isophthalate"	"DSSTox_37752"	0	0	0	0	-2.68544234388659	0	-0.515502201979605	0	-1.11904668330105	0.813673954003167	-4.52331529107478	-0.659481648591311	-0.412751201107835	0	1.02656617912314	-0.430899875984112	0	0
"C7487947"	"7487-94-7"	"Mercuric chloride"	"DSSTox_20811"	0	-0.0972218534957281	0	0	0	0	0	0	0	-0.991038211915624	-2.61140074067499	0	0	-1.84176250877982	0	0	-2.24005344618725	0
"C75330755"	"75330-75-5"	"Lovastatin"	"DSSTox_20784"	0	0	0	0	0	0	-1.70900685120487	-1.13401210921106	0	3.49353128195153	-1.828332458119	1.41408522582774	1.34423804456895	0	3.32125338028903	0	-2.53142869279315	0
"C753731"	"753-73-1"	"Dimethyltin dichloride"	"DSSTox_27304"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.66275082091235	0
"C7540514"	"7540-51-4"	"(S)-(-)-beta-Citronellol"	"DSSTox_41550"	0	0	0	0	0	0	0	0	0	0	0	3.83579171567522	0	0	0	0	0	0
"C754916"	"754-91-6"	"PFOSA"	"DSSTox_38939"	0	0	2.76797363412667	-1.10646710090234	0	-0.372647763432174	0.8003371918159	-1.31550639157814	0	0.583737549202086	-0.400865130992276	1.31025873956496	1.15878329341739	-0.909381379930896	1.13453900922479	0	-1.14697707674026	-1.0942489975532
"C75503"	"75-50-3"	"Trimethylamine"	"DSSTox_26238"	0	0	0	0	3.00735479611166	0	0	0	0	0	0	0	0	0	0	0	0	0
"C75605"	"75-60-5"	"Dimethylarsinic acid"	"DSSTox_20508"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.380705562714905	0	0	0
"C75649"	"75-64-9"	"tert-Butylamine"	"DSSTox_24681"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C756796"	"756-79-6"	"Dimethyl methylphosphonate"	"DSSTox_20494"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.5011429586079	0	0
"C75865"	"75-86-5"	"2-Hydroxy-2-methylpropanenitrile"	"DSSTox_25427"	0	0	0	0	0	0	0	0	5.02124249883912	0	0	4.54947426383783	5.97833666990701	4.44423490630858	5.05860285221091	0	0	0
"C75990"	"75-99-0"	"Dalapon"	"DSSTox_21575"	0	0	15.2075745274522	0	0	0	0	0	0	5.87062519412089	0	0	6.92223104201695	12.3847258478754	0	0	0	0
"C759944"	"759-94-4"	"EPTC"	"DSSTox_24091"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C760236"	"760-23-6"	"3,4-Dichloro-1-butene"	"DSSTox_22113"	0	0	0	0	0	0	0	0	0	0	0	2.9829579560395	4.52728490888859	0	0	14.6747234899292	0	0
"C76039"	"76-03-9"	"Trichloroacetic acid"	"DSSTox_21378"	0	0	0	7.37386318387546	3.96555619697813	0	0	0	0	0	0	0	0	0	5.17054035479365	10.3280967374524	0	6.40356506616152
"C762049"	"762-04-9"	"Diethyl phosphite"	"DSSTox_41861"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.8832244237015	0	0
"C7632000"	"7632-00-0"	"Sodium nitrite"	"DSSTox_20941"	0	0	0	0	0	0	0	0	0	0	0	9.12920569759851	0	0	0	0	0	0
"C76448"	"76-44-8"	"Heptachlor"	"DSSTox_20679"	0	0	0	0	0	0	0	0.856156582752525	1.33415280892275	0	4.50596611623955	3.50604410458871	1.77491177576024	-1.85332673178724	0.0300526754332362	0	0	0
"C76493"	"76-49-3"	"Bornyl acetate"	"DSSTox_41675"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C76578148"	"76578-14-8"	"Quizalofop-ethyl"	"DSSTox_23889"	0	3.6346139765816	0	0	0	0	0	0	0	5.99187256524761	0	0	0	0	0	0	2.31265942000747	0
"C7659861"	"7659-86-1"	"2-Ethylhexyl sulfanylacetate"	"DSSTox_27656"	0	0	0	0	0	0	0	0	0	0	0	0	0	8.59692466399192	0	0	6.47388553735838	0
"C7664382"	"7664-38-2"	"Phosphoric acid"	"DSSTox_24263"	0	0	0	0	0	0	0	0	8.77127942899464	0	0	0	0	0	5.74949324705659	0	0	0
"C76738620"	"76738-62-0"	"Paclobutrazol"	"DSSTox_24242"	0	0	0	0	0	0	0	0	0	0	0	0.711407807115177	5.47961741455435	0	0	0	0	-1.59759864912466
"C7681767"	"7681-76-7"	"Ronidazole"	"DSSTox_45400"	0	0	0	0	0	0	4.711816151054	0	0	0	0	0	0	0	0	0	0	0
"C7681825"	"7681-82-5"	"Sodium iodide"	"DSSTox_41125"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C76879"	"76-87-9"	"Triphenyltin hydroxide"	"DSSTox_21409"	0	0	0	0	0	0	0	0	0	0.3430978110565	0	0	9.06734204025338	-7.18313869674514	0	9.51771394949113	-0.585731561134798	0.382504650430985
"C7696120"	"7696-12-0"	"Tetramethrin"	"DSSTox_32649"	0	0	0	0	0	0	0	0	0	0	-1.90040092231668	-0.447789083005075	0	0	0	-2.42615968372392	-1.74045228455514	0
"C769926"	"769-92-6"	"4-tert-Butylaniline"	"DSSTox_48181"	0	0	0	0	0	0	0	0	0	0	0	6.00641862139089	4.67500089477715	0	4.80695849173797	0	0	0
"C770354"	"770-35-4"	"1-Phenoxy-2-propanol"	"DSSTox_27312"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C77065"	"77-06-5"	"Gibberellic acid"	"DSSTox_20656"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.87821315243084	0	0	0
"C77098"	"77-09-8"	"Phenolphthalein"	"DSSTox_21125"	5.91629309916922	5.41333990826058	7.13744311226946	0.288391140684438	0.967046039933692	0.576084978746663	0.371783539275624	0.489500495873538	0.499357580372875	2.08934437433086	1.98721101461192	5.72639496173649	5.39837359900938	3.13946847235687	0.0101755739420769	2.28855843822352	-0.478418402365399	0
"C77407"	"77-40-7"	"Bisphenol B"	"DSSTox_22442"	7.84643756246963	8.48307655038728	9.3028422404222	4.22557527541863	4.61262718303266	6.61620428159598	5.81273116106087	8.57288646857116	8.732954651654	8.06638855244169	7.75877909729832	8.57185090705645	7.79052533979704	6.82292079984121	7.85510280029858	7.5553561934815	4.24539603585835	-2.11217396726502
"C7747355"	"7747-35-5"	"5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane"	"DSSTox_29289"	0	0	0	0	0	0	0	0	-2.31195055524141	0	0	0	0	0	-2.19079467632865	0	0	0
"C77474"	"77-47-4"	"Hexachlorocyclopentadiene"	"DSSTox_20688"	-1.95035977538214	6.82407288005419	0	0	-0.385234009864932	0	0.720472078766655	0	1.1490180987208	-4.15458880924679	-2.79043822404717	-0.921715571471235	0	0	0	0	0	0
"C77485"	"77-48-5"	"1,3-Dibromo-5,5-dimethylhydantoin"	"DSSTox_35341"	0	0	0	0	0	0	0	0	0	3.6214037210275	0	0	0	0	4.87549053798133	0	0	0
"C77501634"	"77501-63-4"	"Lactofen"	"DSSTox_24160"	0	0	0	0	0	0	0	0	0	2.49814887763958	0	-2.4500330580006	-1.89525848783156	0	0	10.2735186725357	-2.75443388766671	-2.54366239952886
"C7757791"	"7757-79-1"	"Potassium nitrate"	"DSSTox_29692"	0	0	0	0	6.84445379960957	0	0	0	0	0	0	0	0	0	0	0	0	0
"C77714"	"77-71-4"	"5,5-Dimethylhydantoin"	"DSSTox_21754"	0	0	0	0	0	0	0	0	0	0	0	5.2779485839068	7.05376598303899	0	0	6.35272364328973	0	0
"C7773060"	"7773-06-0"	"Ammonium sulfamate"	"DSSTox_23875"	0	0	0	0	0	0	0	0	0	9.0982871467436	0	0	0	0	0	16.2193160596801	18.341315525013	0
"C77736"	"77-73-6"	"Dicyclopentadiene"	"DSSTox_25023"	0	0	0	0	0	0	0	0	0	0	0	0	4.43705932791382	0	0	0	0	0
"C7775271"	"7775-27-1"	"Sodium persulfate"	"DSSTox_29698"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.4247365575403	0	0	0
"C77781"	"77-78-1"	"Dimethyl sulfate"	"DSSTox_24055"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C7779273"	"7779-27-3"	"1,3,5-Triethylhexahydro-s-triazine"	"DSSTox_32511"	0	0	0	0	4.35358301069714	0	0	0	0	0	0	0	0	0	0	0	0	0
"C77838"	"77-83-8"	"Ethyl methylphenylglycidate"	"DSSTox_20591"	0	0	0	0	4.63465124428338	0	5.34975737030259	0	5.10713899617799	0	4.31620805420244	0	0	0	0	0	0	0
"C7785264"	"7785-26-4"	"(-)-alpha-Pinene"	"DSSTox_29290"	0	0	0	0	0	0	0	0	6.69834133237132	4.2962721925379	4.02613096596935	0	0	0	5.05484644673893	0	0	0
"C77861"	"77-86-1"	"Tromethamine"	"DSSTox_23723"	16.5351522950055	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C7786347"	"7786-34-7"	"Mevinphos"	"DSSTox_32683"	0	0	0	0	0	0	0	0	0	0	0	0	0	4.82495245432652	4.68969995703497	18.5113033738748	6.66455345076831	0
"C77907"	"77-90-7"	"Acetyl tributyl citrate"	"DSSTox_26446"	0	0	0	2.83427711484093	0	0	0	0	0	-1.18796016817232	3.2413118226595	0	2.97989234648639	0	0	0	0	-1.86761723213983
"C77929"	"77-92-9"	"Citric acid"	"DSSTox_20332"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C77930"	"77-93-0"	"Triethyl citrate"	"DSSTox_40701"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11.0985885899166	3.71255376350199	0
"C78079"	"78-07-9"	"Ethyltriethoxysilane"	"DSSTox_41962"	0	0	0	0	0	0	0	0	9.97264448086693	0	0	0	0	0	6.2551160562021	0	4.41261410599142	0
"C78115"	"78-11-5"	"Pentaerythritol tetranitrate"	"DSSTox_23430"	0	10.1734689408626	0	0	0	0	0	0	0	4.22698858798873	20.7907017494221	4.14788864725597	3.89838936798366	0	0	9.80060803519582	0	0
"C78400"	"78-40-0"	"Triethyl phosphate"	"DSSTox_26228"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10.047310429168	0	0
"C78422"	"78-42-2"	"Tris(2-ethylhexyl) phosphate"	"DSSTox_21414"	0	0	0	0	0	0	0	0	0	0	-2.80062330712741	0	7.52007964944085	0	0	-2.8940839960599	4.6034293513526	0
"C78473719"	"78473-71-9"	"Enterolactone"	"DSSTox_48183"	14.9227046590568	6.65500663570869	15.7489131667017	4.24166754182344	3.7436933741283	5.03957622687052	4.81659190415861	4.95341930083999	5.47597476628226	4.96687340229254	4.64641112955459	0	8.47173863269522	5.42093298698161	7.86049216733895	8.13622522165041	0	0
"C78488"	"78-48-8"	"Tribufos"	"DSSTox_24174"	0	0	0	0	0	0	0	0	0	0.826335836037883	-2.4792136054068	-0.705992812564125	0.650291158324793	0	0	0	0	0
"C78491028"	"78491-02-8"	"Diazolidinyl urea"	"DSSTox_29559"	0	0	0	0	4.07305419898023	0	5.57300809773929	0	5.16415025712014	0	0	0	0	0	0	0	14.7342555805432	0
"C78513"	"78-51-3"	"Tris(2-butoxyethyl) phosphate"	"DSSTox_21758"	0	0	0	8.81454214817609	7.09522099501018	0	0	0	0	0	0	0	0	0	0	6.97172030188629	6.11365731335339	4.59095356095689
"C78587050"	"78587-05-0"	"Hexythiazox"	"DSSTox_24299"	13.8112617594084	0	0	0	0	0	0	0	0	-0.767610040303079	-3.0681953555902	0.153768265061076	2.5520524223244	-2.46466369373245	0	0	-1.83083609431923	-2.81814387530478
"C78591"	"78-59-1"	"Isophorone"	"DSSTox_20759"	12.8790954419329	11.2771669570325	10.7582936149944	0	0	0	0	0	0	0	0	0	0	16.6011016303561	0	0	0	13.3111869893323
"C78637"	"78-63-7"	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	"DSSTox_25110"	0	0	2.08651200395226	0	0	0	0	0	0	0.736004382059265	0	1.51277322774132	1.72899639887561	0	0	0.38171696618927	0	0
"C78693"	"78-69-3"	"3,7-Dimethyl-3-octanol"	"DSSTox_29110"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C78706"	"78-70-6"	"Linalool"	"DSSTox_25502"	0	0	10.2075904549936	0	0	0	0	0	0	0	0	3.30746703608588	0	0	0	6.58039837069647	0	0
"C78820"	"78-82-0"	"2-Methylpropanenitrile"	"DSSTox_26461"	0	0	0	0	5.11262818657859	0	0	0	0	0	0	0	0	0	0	3.70826347961696	0	0
"C789026"	"789-02-6"	"o,p'-DDT"	"DSSTox_22345"	0	0	0	2.35577878486748	2.01693357035745	3.98935909820556	3.26224449001491	3.53251198379283	3.60219150121819	9.12163840523449	8.01451036721914	8.22729856760875	5.43382179759318	2.90960218712135	4.494448684905	5.58147093140036	0.126718380071039	0
"C78966"	"78-96-6"	"1-Amino-2-propanol"	"DSSTox_21764"	0	0	7.68082039559507	0	13.4965383443538	0	1.89710210286222	0	10.4607430322162	0	0	0	0	0	5.31924179351936	0	0	0
"C79061"	"79-06-1"	"Acrylamide"	"DSSTox_20027"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C79098207"	"79098-20-7"	"4-Chloropentylbenzene"	"DSSTox_48206"	0	0	0	4.13211956277298	0	0	0	0	0	0	0	4.44963481271317	0	0	0	0	5.91087878912738	11.0097343561043
"C79141"	"79-14-1"	"Glycolic acid"	"DSSTox_25363"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18.784044647561	0	0
"C79163"	"79-16-3"	"N-Methylacetamide"	"DSSTox_47167"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.9321182176244	4.92823676253696	0	0
"C79241466"	"79241-46-6"	"Fluazifop-P-butyl"	"DSSTox_34855"	0	0	0	0	0	-1.68802955711603	0	0	0	0.241830840394422	0.76891654850633	0	0.131256909485909	0	0.0106105767293068	3.24301343083974	7.55004757679103	7.99075052554362
"C79243"	"79-24-3"	"Nitroethane"	"DSSTox_20969"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15.9358463782732	0	0
"C79277273"	"79277-27-3"	"Thifensulfuron-methyl"	"DSSTox_24124"	5.40476044292777	0	0	0	0	0	0	0	5.79123914270391	0	0	0	4.65609220658563	0	0	0	0	0
"C79390"	"79-39-0"	"Methacrylamide"	"DSSTox_29600"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.11658842605383	0	0
"C79436"	"79-43-6"	"Dichloroacetic acid"	"DSSTox_20428"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C79447"	"79-44-7"	"Dimethylcarbamoyl chloride"	"DSSTox_20512"	0	0	0	0	0	0	0	0	0	3.72138980669207	0	0	0	0	0	4.67320372236153	13.4788125421279	0
"C79538322"	"79538-32-2"	"Tefluthrin"	"DSSTox_32577"	0	0	0	0	0	0	0	0	0	0	-3.5962036643482	-2.47364885511555	0.0157720407839753	0	-2.43486934840611	0	-1.30675582084912	0
"C79572"	"79-57-2"	"Oxytetracycline"	"DSSTox_34260"	0	0	0	0	6.16836772577106	0	0	0	0	0	0	0	0	0	0	0	0	15.1012578482709
"C79622596"	"79622-59-6"	"Fluazinam"	"DSSTox_32551"	0	0	0	0	0	0	0	0	0	-4.51495771972495	-1.05469460541869	0	12.1738205151272	-3.15912017765606	0	0	-3.26408486249271	-4.33770876431648
"C797637"	"797-63-7"	"Norgestrel"	"DSSTox_36496"	7.46033965099995	6.76800841799281	0	2.12697038952703	0.0951080559855855	0	-0.543024645651375	0	2.7492585638778	3.33312492939924	3.13687670230736	8.26731666165371	8.88560915171249	4.95543823537284	8.39437555851085	8.90104100215875	0	0
"C79902639"	"79902-63-9"	"Simvastatin"	"DSSTox_23581"	0	0	0	0	0	0	0	-1.67426569648535	0	4.40080225842118	-0.33159206882022	0	1.88476585612776	0	-3.55897526246006	0	-2.38240541174186	0
"C79925"	"79-92-5"	"2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane"	"DSSTox_26488"	0	0	0	0	2.69688253325803	0	0	0	0	0	0	0	0	0	0	0	0	0
"C79947"	"79-94-7"	"3,3',5,5'-Tetrabromobisphenol A"	"DSSTox_26081"	0	3.09676731326861	3.28903062772214	0	0	-3.20900781260855	0	0	0	0	0	0.0905437772987743	6.30088495667685	-2.17396779206722	0	0	0.363382973479865	0
"C79958"	"79-95-8"	"2,2',6,6'-Tetrachlorobisphenol A"	"DSSTox_21770"	3.61662829477803	6.36755814021644	5.35802843968965	1.22145105766772	1.71309599098311	2.82436995578417	1.93190200504715	-1.26263003914383	2.03165026167395	2.26786643982764	2.51727640244238	4.56799613734492	4.86914609903583	3.41453273726024	2.31788739583613	3.70494162292378	1.78846573062866	0.623863214450295
"C79983714"	"79983-71-4"	"Hexaconazole"	"DSSTox_34653"	0	0	0	0	0	0	0	0.698574571522503	0	-0.954103990041749	0	1.5445698625908	2.6226422353747	-1.43826437308048	0	0	-0.201992656566025	-0.70310857156893
"C8000348"	"8000-34-8"	"Clove leaf oil"	"DSSTox_44175"	0	0	0	0	-2.8258663560967	-8.69119211400464	-5.0427676805004	-7.9285052408413	-7.26031318534125	0	0	-5.98666364087956	0	-7.43602779335415	0	0	0	0
"C8000417"	"8000-41-7"	"Terpineol"	"DSSTox_40775"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C8001545"	"8001-54-5"	"Benzalkonium chloride"	"DSSTox_34317"	-0.73415308945372	0	1.67401150916281	0	0	0	0	0	0	0.828394033446515	1.27000553100511	0	0	-0.680412178064612	0	0	0.0266605226780392	-1.0729431209912
"C8004920"	"8004-92-0"	"C.I. Acid Yellow 3 disodium salt"	"DSSTox_41721"	0	0	0	0	0	0	0	0	0	0	0	0	5.02554105688576	0	0	11.5724679930922	13.5839019627291	4.00056890124903
"C80057"	"80-05-7"	"Bisphenol A"	"DSSTox_20182"	6.55433279477275	5.94974113993311	5.35729148383243	2.37342509706238	2.86862535139499	5.04760340078508	4.08607966477788	6.22339931727822	6.21123117452169	5.62941210668282	5.45220454779554	8.63012311851038	8.95384624246628	4.61238008125847	6.60526749265092	6.69748029074884	-2.18537383292853	-2.36145684059303
"C8006904"	"8006-90-4"	"Peppermint oil"	"DSSTox_21113"	0	0	0	0	0	0	8.38046322946489	6.25795558728884	0	0	5.54437190089866	5.79948651488221	8.12987029363234	5.1204986531954	5.39059643405176	0	0	0
"C8007703"	"8007-70-3"	"Anise oil"	"DSSTox_24528"	9.27902310851752	6.50527173636143	6.42506466478738	5.27894211845441	5.40615219120461	5.6140502460179	5.27600994543258	5.50380575640958	5.56784061741995	0	5.06590600650913	7.78327462439624	6.33241327282302	0	6.14388477765486	0	0	0
"C80079"	"80-07-9"	"4,4'-Dichlorodiphenyl sulfone"	"DSSTox_24986"	0	0	0	0	0	0	5.48263402141051	0	4.62825106818241	5.89383621981156	0	0	0	0	0	0	2.64326890171853	4.0801039310142
"C80080"	"80-08-0"	"Dapsone"	"DSSTox_20371"	0	0	0	0	0	0	0	0	0	5.59376273424746	0	5.98135772982883	3.68269779622175	14.538600485876	4.74650201007049	0	0	0
"C80091"	"80-09-1"	"4,4'-Sulfonyldiphenol"	"DSSTox_22409"	6.64502520314228	8.58727857350379	12.3846423419202	5.14831818281886	4.74800816148337	6.31855434961247	5.8247476719682	5.42398231104243	4.92969884136762	4.65908806688059	5.9746794496168	11.7567782349068	10.8061305383622	6.25092899672569	9.54350378856809	9.00884032510173	0	8.44978312190414
"C80159"	"80-15-9"	"Cumene hydroperoxide"	"DSSTox_24869"	0	0	0	0	0	0	0	0	0	-1.97819939783351	-0.270380741009146	-2.34692108571997	0	0	0	0	0	0
"C8018017"	"8018-01-7"	"Mancozeb"	"DSSTox_34695"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-4.20217593901879	0	0	0
"C80262"	"80-26-2"	"alpha-Terpinyl acetate"	"DSSTox_26496"	14.879655793711	0	0	0	0	0	0	0	0	0	4.21208315578389	4.46471089443031	6.13085299598458	0	4.26011326443967	0	0	0
"C80273"	"80-27-3"	"Terpinyl propionate"	"DSSTox_44833"	10.3601633276845	7.15952764541766	0	0	0	0	0	0	0	0	0	4.04553383540159	3.65878492630378	5.4658476387948	0	0	0	0
"C80433"	"80-43-3"	"Dicumyl peroxide"	"DSSTox_25017"	0	0	9.10323908574278	1.04069132145096	0.83452265697948	-0.543142134596341	0.856146727384604	3.55515225377448	1.3890262639863	4.29200223145261	2.47920537215966	4.03255908093213	4.06195504919047	0.266109150053174	0.522354315319287	6.16734255682811	0	0
"C80466"	"80-46-6"	"4-(2-Methylbutan-2-yl)phenol"	"DSSTox_21771"	2.06836893580032	2.2787934096625	2.77924276259983	3.95488772930867	3.29694717266242	4.67119615926133	4.02168154647347	5.0937754905333	4.54883671722524	8.63030854854546	7.41424120359455	6.1113700956686	6.71303393331522	1.25525858881461	3.70621154791473	5.88265504542592	0	0.65938633450097
"C80546"	"80-54-6"	"3-(4-tert-Butylphenyl)-2-methylpropanal"	"DSSTox_26500"	0	0	0	0	0	0	5.2405077764836	0	5.59566026060629	0	0	6.05243245131047	5.83040091322696	0	0	19.1122535751312	5.64039718565685	0
"C80568"	"80-56-8"	"alpha-Pinene"	"DSSTox_26501"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C80844071"	"80844-07-1"	"Etofenprox"	"DSSTox_32610"	0	0	0	0	0	0	0	0	0	0	-4.66993194266843	0	-3.23395824786732	0	0	0	0	-2.94114214645665
"C81072"	"81-07-2"	"Saccharin"	"DSSTox_21251"	0	0	0	6.06168469610617	5.17732888344763	0	0	0	0	0	0	0	0	0	0	0	0	0
"C81131706"	"81131-70-6"	"Pravastatin sodium"	"DSSTox_47525"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C81334341"	"81334-34-1"	"Imazapyr"	"DSSTox_34665"	0	0	0	0	0	0	0	0	4.7014882607171	0	0	0	0	13.5254699181227	0	16.0878593610651	0	0
"C81335377"	"81335-37-7"	"Imazaquin"	"DSSTox_24152"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.043759279952	0	0
"C81335775"	"81335-77-5"	"Imazethapyr"	"DSSTox_24287"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.93906507875336	17.7581363872581	0	0
"C81405858"	"81405-85-8"	"Imazmethabenz"	"DSSTox_32412"	0	0	0	0	7.08967294724711	0	0	0	0	0	0	0	0	0	4.29396766633389	0	0	0
"C81406373"	"81406-37-3"	"Fluroxypyr-meptyl"	"DSSTox_34303"	0	0	0	-0.489300380733295	0	-0.0547951770775239	0	0.482933567981038	0	0	0	0	-0.534403937055257	-1.92311937370452	0.0737026047103333	0	0	0
"C81741288"	"81741-28-8"	"Tributyltetradecylphosphonium chloride"	"DSSTox_34997"	-1.32587721571411	-0.0499099068213575	1.36792631496896	0	0	0	0	0	0	0.51359348651571	0.585329134680156	0	0	-0.952762044827672	0	10.7882919253956	4.44125038782773	1.96577547207762
"C81777891"	"81777-89-1"	"Clomazone"	"DSSTox_32355"	0	0	0	0	0	0	0	0	0	6.66588644522005	0	5.44534786040098	4.93979778773968	0	4.99540612861922	0	5.64826498292465	0
"C81812"	"81-81-2"	"Warfarin"	"DSSTox_23742"	0	0	0	0	0	0	0	0	0	4.64191184876332	0	0	6.03230051050061	0	0	12.711638977647	0	0
"C818611"	"818-61-1"	"2-Hydroxyethyl acrylate"	"DSSTox_22123"	0	0	0	0	0	0	0	0	7.95955947898411	0	0	0	0	4.85690991867967	5.25486629121191	0	0	0
"C81889"	"81-88-9"	"Rhodamine B"	"DSSTox_42369"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.42715811009739	4.72736054430108
"C81903"	"81-90-3"	"Phenolphthalin"	"DSSTox_22439"	6.23211856520913	8.31865228796346	0	0	0	0	0	0	0	0	0	5.49811333934751	5.54818665507271	4.82194151298512	3.27465391874378	0	0	0
"C822060"	"822-06-0"	"1,6-Diisocyanatohexane"	"DSSTox_24143"	0	0	0	0	4.4293987227921	0	0	0	0	4.93856694594083	6.43395835611128	0	0	11.3357027380728	15.4090825464298	0	0	0
"C82385420"	"82385-42-0"	"Sodium saccharin hydrate"	"DSSTox_21992"	0	0	0	0	0	0	0	0	0	5.29861838644521	5.37760348126511	0	4.6657961178195	0	4.85213619758858	10.0052526964221	0	0
"C824395"	"824-39-5"	"Sodium 2-nitrophenolate"	"DSSTox_35616"	0	0	14.94786686484	0	0	0	0	0	0	0	0	3.89352824353427	4.84369621157705	17.2412851367542	0	0	0	0
"C82469792"	"82469-79-2"	"Butyryl trihexyl citrate"	"DSSTox_47535"	0	0	0	0	0	0	0	0	0	0	-3.68328478093667	0	0	0	0	-5.33584942680967	1.23692302819619	0
"C824782"	"824-78-2"	"Sodium 4-nitrophenolate"	"DSSTox_27320"	0	0	15.7216118009698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C82558507"	"82558-50-7"	"Isoxaben"	"DSSTox_24159"	0	0	0	0	0	0	0	0	5.13834199032066	0	0	0	10.8573798792276	12.7443947103748	0	0	4.58049392862112	11.8502249804049
"C82640048"	"82640-04-8"	"Raloxifene hydrochloride"	"DSSTox_34181"	16.4358856909218	21.4013781798949	8.63436939349583	10.932723709322	11.8394591324203	12.781091645155	7.22715190397792	10.6006927021508	11.000011726303	22.3420054518913	20.3560937053455	0	0	0	0	13.0402393788767	11.1943254572124	14.0106071846072
"C82657043"	"82657-04-3"	"Bifenthrin"	"DSSTox_20160"	0	0	0	0	0	-2.09618427261702	0	0	0	-1.91520250632627	-2.74659411407537	-0.264428474252728	-1.46560647034939	-2.90101007160256	-1.45915162941731	10.1663191776042	1.02370951258994	-3.08294883469067
"C826620"	"826-62-0"	"3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione"	"DSSTox_47456"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C82688"	"82-68-8"	"Pentachloronitrobenzene"	"DSSTox_21105"	0	0	0	0	0	0	-0.737549402700285	0	-0.803497903747198	-0.753208945832357	-2.2827500763281	-1.595927403708	1.31356806131618	12.7493834426104	0	0	0	-1.00143157021105
"C827190"	"827-19-0"	"Sodium 2,5-dimethylbenzenesulfonate"	"DSSTox_44578"	0	0	0	0	0	0	0	0	0	0	0	0	0	25.7939472488216	30.2057197926108	0	0	0
"C827214"	"827-21-4"	"Benzenesulfonic acid, 2,4-dimethyl-, sodium salt"	"DSSTox_41639"	0	0	0	0	4.81869205127176	5.43163490651553	6.19203891070718	5.03357542445375	7.33293291514145	5.19745237641432	6.20760165071543	0	0	0	0	6.32952651634294	0	0
"C828002"	"828-00-2"	"Dimethoxane"	"DSSTox_20480"	0	0	0	0	0	0	0	0	0	0	0	0	-2.38768942360057	0	0	0	0	0
"C83329"	"83-32-9"	"Acenaphthene"	"DSSTox_21774"	0	0	0	0	0	0	5.87606232351728	0	6.40960076177374	0	0	0	0	0	4.10504744841393	4.1135132379317	0	0
"C83410"	"83-41-0"	"1,2-Dimethyl-3-nitrobenzene"	"DSSTox_25132"	0	0	0	0	0	0	0	0	0	0	0	5.35434744385633	4.46488334265669	0	0	0	0	0
"C834128"	"834-12-8"	"Ametryn"	"DSSTox_23869"	0	0	0	0	0	0	0	0	0	0	0	0	8.60420190409596	0	0	0	0	4.05287954831708
"C83657243"	"83657-24-3"	"Diniconazole"	"DSSTox_40363"	0	0	0	0	0	0	0	0	1.7250969862422	-2.37754827848107	0	0	0	1.78238764471037	0	0	-1.50760395629774	-2.12644010419597
"C83670"	"83-67-0"	"Theobromine"	"DSSTox_26132"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C83794"	"83-79-4"	"Rotenone"	"DSSTox_21248"	0	0	0	0	0	0	0	0	0	0	0	8.67078635506773	0	8.73667803973221	0	18.4423205434886	-2.38132103080175	9.61702144984855
"C83834597"	"83834-59-7"	"2-Ethylhexyl trans-4-methoxycinnamate"	"DSSTox_47205"	0	0	0	0	-6.64567968743219	0	-7.94097438624997	0	0	0	-5.90588971235509	-3.95005296143098	-3.02060364245643	0	-8.80376861050016	0	-6.90725094465566	0
"C83885"	"83-88-5"	"Riboflavin"	"DSSTox_21777"	0	13.3609544423832	0	0	0	0	0	0	0	0	0	0	0	0	5.53000580459645	0	2.48483172179131	0
"C838857"	"838-85-7"	"Diphenyl phosphate"	"DSSTox_48207"	0	0	0	0	0	0	4.01889041076683	0	0	0	0	0	0	0	0	0	0	0
"C838880"	"838-88-0"	"4,4'-Methylenebis(2-methylaniline)"	"DSSTox_20867"	0	-0.442381222963087	0	-2.38766237594916	-2.45132723966838	-2.15934158643923	-2.44885754777308	-2.57722795194482	-2.31181087513747	-2.16746750975903	-2.53798953543181	1.95645565268789	0.0221203162425993	0	-1.51143888659602	-0.749749701719385	-1.94775265805967	0
"C84087014"	"84087-01-4"	"Quinclorac"	"DSSTox_32641"	0	0	0	0	0	0	0	0	0	0	0	0	9.41981436800946	0	0	0	0	0
"C84162"	"84-16-2"	"meso-Hexestrol"	"DSSTox_22381"	14.7736754539636	22.5208745356492	16.7581002044436	10.4472955133361	10.1273821614197	12.3317861587136	9.43222811557267	12.8893535460703	12.4004960498567	14.9683758996653	15.0977930796145	20.8613039093923	20.8613039097731	21.5611697960842	24.6476180805727	13.9504839037016	0.126255346472899	-1.33458942642363
"C842079"	"842-07-9"	"C.I. Solvent Yellow 14"	"DSSTox_21135"	0	0	7.43125749318958	0	0	0	0	0	0	0	0	2.81181794199497	1.75942423165256	0	-1.30416579513928	1.12962684273511	0	6.36523712693576
"C84371653"	"84371-65-3"	"Mifepristone"	"DSSTox_23322"	1.67533495060803	4.50752014419654	0	3.33950912414199	3.35432397648575	4.16912134224749	3.95906082416366	8.40424520625585	8.08623980037913	4.81329306320545	4.48917326177454	0	0	5.34098321412018	0	12.6585121244189	1.85410472733175	-1.75040675086383
"C84617"	"84-61-7"	"Dicyclohexyl phthalate"	"DSSTox_25021"	10.4414042913346	0	0	0.837597490969652	3.83450797827282	-0.201794704010627	4.00651210860011	2.49969864488639	2.84819073719276	2.45216907841899	0.106093684835178	5.38045833520056	1.4832115541114	4.5306828895435	2.8221373648681	-0.705782567584298	-0.0850109350740563	-0.258812415392236
"C84662"	"84-66-2"	"Diethyl phthalate"	"DSSTox_21780"	0	0	0	9.96269328746946	0	0	0	0	0	0	0	0	0	0	4.17051210022088	0	0	0
"C84695"	"84-69-5"	"Diisobutyl phthalate"	"DSSTox_22522"	0	0	0	0.236944638443987	1.61013982033602	1.31636393480774	1.35685611081271	0.0735110442974032	1.48720280145557	1.68815754114763	1.59266368208671	-0.0551952176167886	-0.227307121046382	0	2.32702855182928	0	0	0
"C84742"	"84-74-2"	"Dibutyl phthalate"	"DSSTox_21781"	0	0	0	-1.64723414593867	-1.49524828028747	-0.770525865066443	-1.37038706204606	-1.10090375604773	-1.7426723190862	-0.786949911747603	-0.787303775032073	0.443643235672952	-1.24599376421442	0	-1.83776248567542	0	0	0
"C84753"	"84-75-3"	"Dihexyl phthalate"	"DSSTox_25068"	0	0	0	0.0368597177159584	0	0.122544571530746	1.80475708163047	0.344281650737847	2.24505900879486	1.72805317044134	2.30266077748702	3.44680595777384	3.71658285501135	0	-0.946243013766309	0	0	0
"C84852153"	"84852-15-3"	"4-Nonylphenol, branched"	"DSSTox_29055"	-1.05336839363404	4.12824367710412	2.12431276197011	2.17053040787241	2.50674272090745	3.55984422859366	2.9053135397292	5.2337700852029	4.25878436510025	6.42375319917158	7.82741400755414	5.50375008445508	5.71239560246199	1.63434388363452	3.61644417666295	6.52255093906566	-1.95616010246709	-1.84198938322494
"C85018"	"85-01-8"	"Phenanthrene"	"DSSTox_24254"	0	0	0	0	0	5.20348878359742	4.62466975434284	5.42509492185866	5.38019184822373	0	0	0	5.47921983579916	16.2389618796766	4.84266081363193	0	0	0
"C851916422"	"851916-42-2"	"MK-812"	"DSSTox_47335"	0	0	0	0	0	0	0	0	0	5.06914824101266	0	0	10.4104324676557	0	0	0	0	0
"C85264331"	"85264-33-1"	"(3,5-Dimethyl-1H-pyrazol-1-yl)methanol"	"DSSTox_32513"	0	0	0	0	0	0	0	0	3.94378351730462	0	0	0	0	0	0	0	0	0
"C85405"	"85-40-5"	"1,2,3,6-Tetrahydrophthalimide"	"DSSTox_26513"	0	0	0	2.76535064834581	4.39670353399179	0	0	0	0	5.36705437435931	0	0	0	0	0	11.1090718261693	19.6052862721393	0
"C85416"	"85-41-6"	"Phthalimide"	"DSSTox_26514"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.24438978655754	0	9.3553435333806	0
"C85507795"	"85507-79-5"	"Phthalic acid, diundecyl ester, branched and linear"	"DSSTox_29565"	0	7.87845810627182	0	0	1.89710263625819	5.49581916689681	0	0	0	0	0	0	0	14.2890746279877	0	6.14122537011616	8.80692377125044	0
"C85509199"	"85509-19-9"	"Flusilazole"	"DSSTox_24235"	0	0	8.71810019922923	0	0	0	0	0	0	-4.2155381365868	-2.91709296303435	0.922984446723565	3.31885581355566	-1.09867385598327	13.1223734764702	0	-0.783608606422826	-1.42644343762835
"C85532758"	"85532-75-8"	"PK 11195"	"DSSTox_41097"	0	0	0	0	0	0	0	2.19372342221981	0	4.78508064465484	0	0	0	0	0	0	-0.461664500089724	0
"C85687"	"85-68-7"	"Butyl benzyl phthalate"	"DSSTox_20205"	0	0	2.2282132310665	-0.655075881320877	-0.133565354266004	0.582207591983792	0.826399706817372	0.745430855407548	0.408334921314524	1.82092302264913	1.1818895843131	-1.54642695068362	-1.89204124924152	-0.553902845684807	-0.244131583953889	1.56712952053508	0	0
"C860220"	"860-22-0"	"C.I. Acid Blue 74"	"DSSTox_20190"	0	0	0	0	0	0	0	0	4.16348488801427	0	0	0	3.76470440386657	0	0	6.96141677884344	6.66568667385841	4.81754762357136
"C862243296"	"862243-29-6"	"AVE9423"	"DSSTox_47375"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C86306"	"86-30-6"	"N-Nitrosodiphenylamine"	"DSSTox_21030"	0	0	0	3.43931215684957	0	4.21818213754245	4.65474506939166	4.84597172984428	5.38769284599161	4.58020575838323	0	6.05308084990749	5.84123917716825	0	5.20997916257653	0	0	0
"C86386734"	"86386-73-4"	"Fluconazole"	"DSSTox_20627"	0	0	0	0	0	0	0	0	0	7.5810498978272	0	0	0	0	0	0	0	0
"C864283487"	"864283-48-7"	"GSK232420A"	"DSSTox_47312"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.36262028119455	0	3.87778915383927
"C86479063"	"86479-06-3"	"Hexaflumuron"	"DSSTox_32620"	0	0	0	0	0	0	0	0	0	4.69416487790284	0	0	0	4.26617232809714	10.2431176268204	14.5668173544223	0	0
"C86500"	"86-50-0"	"Azinphos-methyl"	"DSSTox_20122"	0	0	7.71996954258491	0	0	0	0	0	0	0	0	-0.9839462864442	1.68553880367895	-1.71340512765397	0	-4.42455350071012	-1.33279093559218	-2.11824374079577
"C86737"	"86-73-7"	"Fluorene"	"DSSTox_24105"	0	0	0	0	0	0	0	0	0	0	0	5.48618715124521	3.72153729621813	0	0	12.494915363497	0	0
"C86873"	"86-87-3"	"1-Naphthaleneacetic acid"	"DSSTox_20915"	0	8.19447141964688	11.8308435705066	0	0	0	0	0	0	0	0	0	4.67455076132716	0	0	0	0	0
"C868859"	"868-85-9"	"Dimethyl hydrogen phosphite"	"DSSTox_20493"	0	0	0	0	4.37616272538033	0	6.5196387359011	5.97055742706152	7.88970366224983	4.07973947413784	6.27307903906909	0	0	0	0	18.4061504545439	0	12.6868355606556
"C87014"	"87-01-4"	"7-(Dimethylamino)-4-methylcoumarin"	"DSSTox_41422"	0	0	0	0	0	0	0	0	0	0	6.01867543896843	0	2.98064981383991	5.03781451419152	8.82891076402384	0	0	0
"C87183"	"87-18-3"	"4-tert-Butylphenyl salicylate"	"DSSTox_37745"	0	0	0	-1.39216841632856	0.841357590007903	-1.42161767173505	1.98755319289561	-0.0730678021710288	2.01185281358167	0.866301871592783	1.75410095404336	3.37049654324175	1.7918287159814	0.23671841428491	-0.270258870799972	0	0	0
"C87241"	"87-24-1"	"Ethyl 2-methylbenzoate"	"DSSTox_40711"	0	0	0	0	0	0	0	0	5.31451500201221	0	0	0	0	0	0	0	0	0
"C872504"	"872-50-4"	"N-Methyl-2-pyrrolidone"	"DSSTox_20856"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C87252"	"87-25-2"	"Ethyl anthranilate"	"DSSTox_25272"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C87392129"	"87392-12-9"	"S-Metolachlor"	"DSSTox_32431"	0	13.5549942733526	11.8319546267691	0	0	0	0	0	0	0	2.69719197139248	5.4018497643454	0	3.48052618737872	0	0	2.74220194901643	2.35512538262896
"C87546187"	"87546-18-7"	"Flumiclorac-pentyl"	"DSSTox_32554"	0	0	0	0	0	0	0	0	0	0	0	-1.53076280199141	0.449271793814341	0	9.87891895139976	0	0	0
"C87616"	"87-61-6"	"1,2,3-Trichlorobenzene"	"DSSTox_26193"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.75863617234241	0	0
"C87627"	"87-62-7"	"2,6-Dimethylaniline"	"DSSTox_26307"	0	0	0	0	0	0	0	0	0	5.45105432832146	0	0	0	0	0	0	0	0
"C87674688"	"87674-68-8"	"Dimethenamid"	"DSSTox_32376"	0	0	0	0	0	0	0	0	0	0.372204254365479	0	0	8.27577240178349	0	0	0.590853951751699	-0.0639866228028149	-1.22207159021193
"C87683"	"87-68-3"	"Hexachloro-1,3-butadiene"	"DSSTox_20683"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.47426789780297	0	0
"C87694"	"87-69-4"	"L-Tartaric acid"	"DSSTox_23632"	0	0	0	0	0	0	0	0	0	0	0	0	0	11.8635802625118	4.03645086295862	0	0	0
"C877247"	"877-24-7"	"Monopotassium phthalate"	"DSSTox_42167"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C87818313"	"87818-31-3"	"Cinmethylin"	"DSSTox_34456"	0	0	0	-2.26993367537498	0	-1.35714504652538	-0.560659297544827	-1.09766978082348	0.577488494490922	0.265217041900866	0.188053217373204	0.408876897055732	0.621677840661765	0	-1.46297009053723	0	0	-3.62556685023436
"C87820880"	"87820-88-0"	"Tralkoxydim"	"DSSTox_34973"	0	0	0	0	0	0	0	0	5.40292955726614	0	0	0	0	0	0	0	0	0
"C87865"	"87-86-5"	"Pentachlorophenol"	"DSSTox_21106"	0	0	0	0	0	0	0	0	0	0	0	0	1.31668061359597	-1.11698181672942	0	0	-1.32317798348822	-1.56908167629724
"C87901"	"87-90-1"	"Symclosene"	"DSSTox_26523"	0	15.4256298784993	0	0	0	0	0	0	0	0	0	0	0	0	2.07071743674753	19.8834083042926	0	0
"C88040"	"88-04-0"	"4-Chloro-3,5-dimethylphenol"	"DSSTox_32316"	0	5.86164555835351	0	4.67889279358367	0	5.28438622328734	6.19769501899131	6.09309128957924	6.54178540780921	0	0	7.27102727144937	5.01488786454516	0	0	6.59803982928825	0	0
"C88062"	"88-06-2"	"2,4,6-Trichlorophenol"	"DSSTox_21386"	0	0	0	0	0	0	0	0	0	0	0	4.44396173348343	3.62241632861167	0	13.2585444040789	4.09066844199694	0	0
"C88120"	"88-12-0"	"N-Vinyl-2-pyrrolidone"	"DSSTox_21440"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.01012742523665	0	0	0
"C88186"	"88-18-6"	"2-tert-Butylphenol"	"DSSTox_26525"	0	0	0	0	0	5.33604137445149	4.74644161445139	4.39243501380426	5.271038732969	0	0	6.62541000421168	0	0	0	0	0	0
"C88244"	"88-24-4"	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	"DSSTox_38864"	3.10310754508822	0	8.34499428230105	0	0	0	0	0	0	-2.74875229833342	-2.40813522145689	0	1.06665702238782	-1.9263751871388	13.2744527443874	0	-0.192332295589058	-1.40392618248096
"C88302"	"88-30-2"	"3-Trifluoromethyl-4-nitrophenol"	"DSSTox_21788"	0	0.504882222711833	0.488697208645117	-0.81508242812021	0	-1.40219255404861	0	-1.3319951312375	0	-0.0877081514088179	-0.431491506402226	0.825574825823134	-1.20477822092576	-0.306745914935033	0	0.719899211116562	-1.78135217381634	-1.3945410985573
"C88415"	"88-41-5"	"2-tert-Butylcyclohexyl acetate"	"DSSTox_36105"	0	0	0	0	0	0	0	0	0	0	3.98513368609478	0	0	0	0	0	0	0
"C88584"	"88-58-4"	"2,5-Di-tert-butylbenzene-1,4-diol"	"DSSTox_41248"	0	6.14226352492906	0	0	0	0	0	0	0	0	-1.48676331729303	-1.83135842945281	-0.892852939073169	-1.21933083765459	0	0	-1.45928688395826	-1.66536414240011
"C88608"	"88-60-8"	"2-tert-Butyl-5-methylphenol"	"DSSTox_26529"	0	0	0	2.08944322565919	0	2.35057169684829	2.03029889178524	3.43648800980857	3.157957850187	0	0	3.95089649872765	3.86087018246361	0.762596625449778	2.50699787202676	0	0	1.06108459851845
"C88671890"	"88671-89-0"	"Myclobutanil"	"DSSTox_24315"	0	0	0	0	0	0	0	0	0	0	0	-0.295298237513552	2.8593581315306	0	0	0	0	-1.45444072853228
"C88697"	"88-69-7"	"2-Isopropylphenol"	"DSSTox_44391"	0	0	0	0	13.7975583427751	5.17412103677277	0	4.74580603373611	0	0	3.96590468762379	3.45970111209711	0	0	0	0	0	0
"C88722"	"88-72-2"	"2-Nitrotoluene"	"DSSTox_25791"	0	0	0	0	0	0	0	0	0	0	9.52530366081091	0	0	0	0	0	0	0
"C88744"	"88-74-4"	"2-Nitroaniline"	"DSSTox_25726"	0	0	0	0	0	0	0	0	0	0	0	0	4.57720580723292	0	0	0	0	0
"C88755"	"88-75-5"	"2-Nitrophenol"	"DSSTox_21790"	0	0	8.15370353132782	0	16.3330085658507	0	0	0	0	0	0	0	0	0	0	17.7644869160966	0	0
"C88857"	"88-85-7"	"Dinoseb"	"DSSTox_20207"	0	0	7.26130306224979	0	0	0	0	0	0	0	0	3.03467505611632	3.35054185427114	-2.38605762197901	0	0	1.03037641602127	0.352918772880019
"C89043"	"89-04-3"	"Trioctyl trimellitate"	"DSSTox_47533"	0	0	7.50569142178718	0	0	0	0	0	0	6.17692272902091	0	0	0	0	0	12.5347384052522	7.97505084266814	0
"C89714"	"89-71-4"	"Methyl 2-methylbenzoate"	"DSSTox_48208"	0	0	0	5.79650609059769	0	0	0	0	0	0	0	0	0	0	0	0	11.6168012781453	0
"C89725"	"89-72-5"	"2-(Butan-2-yl)phenol"	"DSSTox_22331"	0	0	0	0	0	0	3.71251944249643	0	5.55054179893693	0	0	5.00083628119831	4.33223524116524	0	6.62729625378053	0	0	0
"C89781"	"89-78-1"	"dl-Menthol"	"DSSTox_20805"	0	0	0	0	0	0	0	0	0	9.80003445069567	0	0	0	0	5.23500468316664	17.909678126197	0	0
"C89838"	"89-83-8"	"Thymol"	"DSSTox_34972"	0	0	0	0	0	5.4258851998889	0	5.52979282467419	4.9616482022028	0	0	5.06719293242723	0	0	0	0	0	0
"C89872"	"89-87-2"	"1,3-Dimethyl-4-nitrobenzene"	"DSSTox_25135"	0	0	0	0	0	0	0	0	0	0	0	0	0	10.4709102829665	4.51915997635599	6.79560760214364	0	0
"C90006"	"90-00-6"	"2-Ethylphenol"	"DSSTox_22479"	8.0451335285025	0	0	0	0	0	0	0	0	0	0	0	0	0	9.58894429293744	0	0	0
"C90028"	"90-02-8"	"Salicylaldehyde"	"DSSTox_21792"	0	0	0	0	4.41462252379015	0	3.88518217126544	0	0	0	0	0	6.94521370817094	0	4.68241421641966	8.32540549237896	0	0
"C9003116"	"9003-11-6"	"Pluronic F-127"	"DSSTox_47597"	0	0	0	0	0	0	0	0	0	7.17061809897859	0	0	0	0	0	0	0	4.05926006828869
"C90040"	"90-04-0"	"2-Anisidine"	"DSSTox_23877"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.18309338822387	0	0	0
"C9004824"	"9004-82-4"	"Sodium lauryl polyoxyethylene ether sulfate"	"DSSTox_29298"	0	1.18902402651593	1.11129912446172	-0.275748345965771	-0.199989244697158	0	-0.168425860700454	0	0	2.46010770449167	2.87119170538452	0	0	0.0378004726065802	7.13618056287587	6.13263669920921	0.637156717317519	0
"C9004960"	"9004-96-0"	"Polyoxyethylene monoleate"	"DSSTox_27713"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.10039238070122	0
"C90051"	"90-05-1"	"2-Methoxyphenol"	"DSSTox_23113"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C9005656"	"9005-65-6"	"Polysorbate 80"	"DSSTox_21175"	0	0	0	0	0	0	0	0	0	6.39299835977246	6.59041478523158	0	0	0	0	0	7.68847016832799	0
"C90120"	"90-12-0"	"1-Methylnaphthalene"	"DSSTox_20877"	0	0	0	0	0	0	0	0	0	0	0	0	4.01312074448571	8.14982644640986	0	0	0	0
"C90153"	"90-15-3"	"1-Naphthol"	"DSSTox_21793"	0	0	0	4.22887629268767	4.03790718889363	5.53117591242562	4.65161014818978	4.94572742610178	4.62819809614255	0	0	6.38238669993656	6.00409852212417	4.52788206643049	0	0	0	3.52575542981557
"C9016006"	"9016-00-6"	"Polydimethylsiloxane"	"DSSTox_23833"	0	0	0	6.03594260473465	0	0	0	0	0	0	0	0	0	0	0	0	0	19.2038138938761
"C9016879"	"9016-87-9"	"Isocyanic acid, polymethylenepolyphenylene ester"	"DSSTox_47473"	0	0	0	0	8.63025562354353	0	0	0	0	0	0	0	0	7.30941346760578	0	0	0	0
"C90302"	"90-30-2"	"N-Phenyl-1-naphthylamine"	"DSSTox_25892"	0	0	7.03847058522304	0	0	0	4.68980486388767	0	3.93726012748833	-0.915220708126337	0	5.08547975289513	5.40674937307742	0.921791668392682	1.96423354295992	3.28114439456055	0	0
"C90357065"	"90357-06-5"	"Bicalutamide"	"DSSTox_22678"	8.32856197752035	6.87263345116199	16.7558883227934	8.05047240639324	7.75723226220368	0	7.63189266303462	5.77415980374704	8.56599469010653	5.47940733697462	6.28937127197635	0	0	0	0	0	5.92995155641915	6.15223964661395
"C90437"	"90-43-7"	"2-Phenylphenol"	"DSSTox_21151"	0	0	0	4.41778155204522	0	4.10819148892253	0	4.73163948107041	6.03442330812357	0	0	5.76519441759411	7.294106440088	0	6.17007465280155	0	0	4.05689756758724
"C90722"	"90-72-2"	"2,4,6-Tris(dimethylaminomethyl)phenol"	"DSSTox_26548"	0	0	0	0	0	0	0	0	0	0	0	0	4.36765315620201	0	4.14338974538421	15.6180612794191	0	0
"C90823384"	"90823-38-4"	"Denatonium saccharide"	"DSSTox_34361"	0	0	0	7.76009012521253	7.17344053396524	0	6.54859525109576	0	6.40059998747729	0	5.09390924244527	0	0	0	0	18.9921479625599	0	0
"C90948"	"90-94-8"	"Michler's ketone"	"DSSTox_20894"	0	0	5.26966739391694	0	0	0	0	0	0	0	0	0	0	-4.59909635068945	-2.55993599086969	0	-4.90025193080254	0
"C91082176"	"91082-17-6"	"C10-21 sulfonic acids phenyl esters"	"DSSTox_47526"	0	0	0	0	0	0	0	0	0	0	0	-2.05600323522345	0	0	0	0	0.31167083302156	0
"C91203"	"91-20-3"	"Naphthalene"	"DSSTox_20913"	0	7.13853183158095	0	0	0	0	0	0	0	0	0	4.57179484412522	0	0	0	0	0	0
"C91225"	"91-22-5"	"Quinoline"	"DSSTox_21798"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.24177753162686	5.93467282003568	0	0
"C91465086"	"91465-08-6"	"lambda-Cyhalothrin"	"DSSTox_32559"	0	0	0	0	0	0	6.73932838875004	0	0	0	0	0	0	0	0	0	7.58365249512432	0
"C91532"	"91-53-2"	"Ethoxyquin"	"DSSTox_20582"	0	-0.669680499680833	0	0	0	0	0	0	0	0	0	-0.541512540374885	0.382630773255204	-0.538408155892712	0	0	0	0
"C91598"	"91-59-8"	"2-Naphthylamine"	"DSSTox_20921"	0	0	0	0	0	0	0	0	0	0	0	-3.08204912954321	-2.82881741395594	0	-3.03591903892559	0	0	0
"C91623"	"91-62-3"	"6-Methylquinoline"	"DSSTox_20887"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C91645"	"91-64-5"	"Coumarin"	"DSSTox_20348"	0	0	0	0	0	0	0	0	0	5.76051059596924	0	0	0	0	0	0	0	0
"C91667"	"91-66-7"	"N,N-Diethylaniline"	"DSSTox_21800"	0	0	0	0	0	0	5.48807709777476	0	4.59273942079712	0	0	7.88049846665788	0	0	3.97363975227927	14.5692406406539	0	0
"C919302"	"919-30-2"	"3-Aminopropyltriethoxysilane"	"DSSTox_27333"	0	0	0	0	0	0	5.85329756178274	0	5.04311380400407	0	0	0	0	0	0	0	18.6578933346523	0
"C92046"	"92-04-6"	"2-Chloro-4-phenylphenol"	"DSSTox_22353"	2.20787801079104	6.13119184193771	1.67536541163207	2.37301704110978	0	2.15225917800154	4.50936866288846	1.83870024721932	4.60346138963038	-0.491662829980331	-0.240919222883483	3.30399503600201	3.37998205757335	1.65383658323065	1.01999960782245	4.76066146359865	-0.406327949928143	0
"C924163"	"924-16-3"	"N-Nitrosodibutylamine"	"DSSTox_21026"	0	0	0	0	0	0	0	0	0	0	0	0	4.8178861900879	0	0	0	0	0
"C92524"	"92-52-4"	"Biphenyl"	"DSSTox_20161"	0	0	0	0	3.87776340844191	4.88484140687865	0	0	0	0	0	6.28399943133319	4.07741793506977	0	0	5.68946935334448	0	0
"C92682"	"92-68-2"	"4-Cyclohexylcyclohexanone"	"DSSTox_40721"	0	0	0	0	0	-0.259796862628871	0	0	0	0	0	0.47697573824731	-1.73684613407449	0	0.74379279990014	7.9469632437577	0	0
"C92693"	"92-69-3"	"4-Phenylphenol"	"DSSTox_21152"	0	6.6522522236597	6.16550544256345	6.57933104669466	6.49889748031949	7.43603325029907	7.12318688848134	7.03815697829285	7.49793918344579	7.58714248778359	6.47739601000307	10.586333123444	10.3993779610462	5.53165788453383	7.04665806590311	7.88652347005225	0	0
"C92842"	"92-84-2"	"Phenothiazine"	"DSSTox_21126"	-0.533526202070862	0	0	0	0	0	0	0	0	0	0	0.871004944018861	0.281007166705494	0	-2.11604612425858	0.687028748900159	0	0
"C92875"	"92-87-5"	"Benzidine"	"DSSTox_20137"	0	6.20284955901699	0	0	0	0	5.25444006579443	0	5.79488168443222	0	0	5.12230082946495	5.26510528907134	0	4.92632376391222	0	0	0
"C928961"	"928-96-1"	"(Z)-3-Hexen-1-ol"	"DSSTox_22137"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C929601092"	"929601-09-2"	"SR58611"	"DSSTox_47360"	0	0.0882354985513051	0	0	0	0	0	0	0	6.94460489236463	1.40990894352855	0.409825895683154	13.5525364019015	0	0	0	0	-1.18074163056128
"C930552"	"930-55-2"	"N-Nitrosopyrrolidine"	"DSSTox_21062"	0	0	0	2.66445833252837	6.23359582183992	0	6.32795008625163	0	2.75079381713382	0	0	0	3.72861659798189	0	4.52552932935632	0	0	0
"C93083"	"93-08-3"	"2'-Acetonaphthone"	"DSSTox_41389"	0	0	0	0	4.44332261405532	0	5.64123326924804	0	0	0	4.15922017906355	5.0707407940491	4.82989234325431	0	0	0	0	0
"C93152"	"93-15-2"	"Methyleugenol"	"DSSTox_25607"	0	0	15.0752922350389	0	0	0	0	0	0	0	0	3.33918159290136	0	0	0	0	0	0
"C93561"	"93-56-1"	"Styrene glycol"	"DSSTox_42422"	0	0	0	0	0	0	0	0	8.88838389483142	0	0	0	0	0	0	0	0	0
"C93652"	"93-65-2"	"Mecoprop"	"DSSTox_24194"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C93765"	"93-76-5"	"2,4,5-Trichlorophenoxyacetic acid"	"DSSTox_21388"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.70093803489787	0
"C938169"	"938-16-9"	"tert-Butyl phenyl ketone"	"DSSTox_48209"	0	0	0	0	0	0	0	0	0	0	0	4.08781431417269	5.1426808951438	3.16497046864647	4.64265483205408	0	0	0
"C93890"	"93-89-0"	"Ethyl benzoate"	"DSSTox_38696"	0	0	0	2.98232920681887	10.1724539602827	0	0	0	0	0	4.67978024564967	0	0	0	3.82977203362359	0	0	0
"C93925"	"93-92-5"	"Benzenemethanol, alpha-methyl-, acetate"	"DSSTox_41636"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C93992"	"93-99-2"	"Phenyl benzoate"	"DSSTox_48210"	0	0	0	3.16977131326277	0	4.19324215839387	5.41279962432881	4.51033412516885	0	0	0	3.54942257328155	5.47249832777205	0	0	0	0	0
"C94086"	"94-08-6"	"Ethyl 4-methylbenzoate"	"DSSTox_48211"	0	0	0	6.14387368986869	0	0	0	0	0	0	0	0	0	0	0	6.27184005237705	0	0
"C94097"	"94-09-7"	"Benzocaine"	"DSSTox_21804"	0	0	0	0	0	0	0	0	5.92597516787515	0	0	5.73965468736274	0	9.70677698755034	4.71558958066846	0	5.05200487960619	0
"C94133"	"94-13-3"	"Propylparaben"	"DSSTox_22527"	10.2401733742716	6.22158068806221	5.72655001141246	5.36950100620573	5.50026923894014	6.51534496774437	6.86469745631777	8.10532275476251	7.52724835229945	7.29006150310349	5.91661643112028	7.30416349435333	8.20143297698747	5.23742615214221	6.28238413516651	8.93176473103502	0	0
"C941695"	"941-69-5"	"1-Phenyl-1H-pyrrole-2,5-dione"	"DSSTox_41274"	0	0	0	0	0	0	0	0	0	1.49934077036433	0.598118505687974	0	0	-1.00018461691501	0	0	0.0826925619498167	-0.865314734933087
"C94188"	"94-18-8"	"Benzylparaben"	"DSSTox_22526"	6.28038425348498	9.23105935478275	6.43590806867399	1.80651039198573	1.88040399366925	3.72146080808211	2.62392816143738	3.78508108561896	3.69684830772058	0	0	1.54974423193264	2.70052107160839	0.640836658354287	1.92395643350343	4.98284226436192	-0.490208606562143	0
"C94268"	"94-26-8"	"Butylparaben"	"DSSTox_20209"	-0.362738801663965	2.36136447734602	1.37438203058615	-0.851470780265362	1.52326187692688	2.67223652755234	2.47150747829529	2.03579987499736	1.64633496402978	0	-3.30132040111405	4.59822843346534	2.52356028590304	-1.31536767565526	-0.442473490770617	3.20432004808741	-1.66623934958074	0
"C94280"	"94-28-0"	"Triethylene glycol bis(2-ethylhexanoate)"	"DSSTox_26564"	0	3.10953678804811	1.3070197236558	0	0	0	0	0	0	0.498480692870574	0	0	0	-1.9088762326056	-1.78973970589656	0	0.919881205327804	0
"C94361065"	"94361-06-5"	"Cyproconazole"	"DSSTox_32601"	0	0	0	0	0	4.48162791313414	5.16092821484306	5.78905549475036	5.45330333657463	0	0	5.79196956384809	4.8568261047445	5.34652345111075	6.74492836151363	0	0	5.40006072058298
"C94462"	"94-46-2"	"Isopentyl benzoate"	"DSSTox_47185"	0	0	8.31937180728722	4.51899473840094	0	4.95813847903457	4.19966770805705	0	0	0	0	0	5.45131042735416	0	0	0	0	0
"C94473"	"94-47-3"	"2-Phenylethyl benzoate"	"DSSTox_47590"	0	0	0	5.4834453778362	0	5.5124173581035	5.30522556211921	4.4964890052134	0	0	0	0	0	0	3.2358544230716	0	0	0
"C94597"	"94-59-7"	"Safrole"	"DSSTox_21254"	0	0	0	0	0	0	0	0	0	0	0	7.24499182065888	0	0	5.01810794170046	0	0	0
"C94600"	"94-60-0"	"Dimethyl hexahydroterephthalate"	"DSSTox_26566"	0	0	0	0	0	0	0	0	5.70988305125879	0	0	4.18088989736034	5.33038280406472	0	0	0	0	0
"C94713"	"94-71-3"	"2-Ethoxyphenol"	"DSSTox_42276"	0	0	0	0	0	0	0	0	0	0	0	0	4.37397852954378	0	4.87249135887779	0	0	0
"C94746"	"94-74-6"	"MCPA"	"DSSTox_24195"	0	0	0	0	0	0	0	0	0	0	0	0	0	18.5661230366304	0	16.1230398505039	0	0
"C94757"	"94-75-7"	"2,4-Dichlorophenoxyacetic acid"	"DSSTox_20442"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17.182911329222	0
"C94804"	"94-80-4"	"2,4-D 1-butyl ester "	"DSSTox_20443"	0	0	0	0	0	0	0	0	0	0	0	3.74216795223888	5.44812069877058	0	4.67130503251935	18.1452018760736	0	0
"C94815"	"94-81-5"	"MCPB"	"DSSTox_24193"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C94826"	"94-82-6"	"2,4-DB"	"DSSTox_24035"	0	7.50121690055942	0	0	0	0	0	0	0	0	0	0	14.812898225312	0	0	0	0	0
"C94917"	"94-91-7"	"N,N'-Disalicylidene-1,2-diaminopropane"	"DSSTox_41200"	0	0	0	0	0	0	0	0	0	0	0	5.51641069898011	0	0	0	7.2919907264315	0	0
"C94962"	"94-96-2"	"2-Ethyl-1,3-hexanediol"	"DSSTox_25292"	0	0	0	8.32242325196077	0	0	0	0	0	0	0	0	0	0	5.43086709928919	6.60340044514639	0	0
"C950378"	"950-37-8"	"Methidathion"	"DSSTox_20819"	0	0	0	0	0	0	0	0	0	4.19475991777156	0	5.74940698675772	5.8834975709532	0	0	17.5587529343699	0	0
"C95136"	"95-13-6"	"Indene"	"DSSTox_42052"	0	0	0	0	0	0	0	0	0	0	0	4.38028770297882	4.89684313560673	0	4.93712274877856	0	0	0
"C95147"	"95-14-7"	"1,2,3-Benzotriazole"	"DSSTox_20147"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.97489472764699	0	19.29597491532
"C95169"	"95-16-9"	"Benzothiazole"	"DSSTox_24586"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.07071531438912	0	9.51560719586888	0
"C95266403"	"95266-40-3"	"Trinexapac-ethyl"	"DSSTox_32535"	0	0	0	0	0	0	0	0	0	0	5.58657317349076	0	0	0	0	9.38947371448498	0	0
"C95385"	"95-38-5"	"1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-"	"DSSTox_36112"	0	0	0	3.01342526357971	3.68514219540095	0	2.56177573587144	2.24366312270074	2.44557000156601	0.0958865965593987	0.922203444935319	0	0	-0.869467833766205	0	0	-0.75567090491508	0
"C95487"	"95-48-7"	"o-Cresol"	"DSSTox_21808"	0	0	0	0	0	0	0	0	0	0	4.1178712075409	0	0	0	4.42809401989472	0	0	0
"C95498"	"95-49-8"	"2-Chlorotoluene"	"DSSTox_23977"	0	0	5.26640347632346	0	0	0	0	0	0	5.61495987125977	0	8.22094405947556	0	2.26479844000673	0	0	0	0
"C95501"	"95-50-1"	"1,2-Dichlorobenzene"	"DSSTox_20430"	0	0	0	0	6.07391633751999	0	5.77184133648159	0	7.9902462666221	0	4.92820670288151	10.0131320280781	0	0	0	0	0	0
"C95534"	"95-53-4"	"2-Methylaniline"	"DSSTox_26164"	0	0	0	0	0	0	0	0	0	10.3683704171289	0	0	0	0	0	0	0	0
"C95545"	"95-54-5"	"1,2-Phenylenediamine"	"DSSTox_25881"	0	0	0	0	0	0	0	0	0	0	0	0	2.36347278988658	-5.06651632339531	-1.86794733263442	0	0	0
"C95578"	"95-57-8"	"2-Chlorophenol"	"DSSTox_21544"	0	0	0	0	0	0	0	0	0	0	0	0	4.4155346874515	0	0	0	0	0
"C95636"	"95-63-6"	"1,2,4-Trimethylbenzene"	"DSSTox_21402"	0	0	0	0	0	0	0	0	0	0	0	0	5.30236755164596	0	4.71940688840166	5.74876936461061	0	0
"C95658"	"95-65-8"	"3,4-Dimethylphenol"	"DSSTox_24062"	14.2285837390392	5.26622571860836	8.26186299581227	0	0	5.54780413230436	4.74953655558894	5.66831522066849	4.66149889513002	0	0	4.25804747046441	2.98322221526575	0	0	0	0	0
"C95737681"	"95737-68-1"	"Pyriproxyfen"	"DSSTox_32640"	0	0	0	0	0	0	0	0	0	3.02293321342653	-3.50349728623631	0.207270238417964	-0.139901380313573	0	-0.393064673770791	0	-2.99420899958591	0
"C95749"	"95-74-9"	"3-Chloro-4-methylaniline"	"DSSTox_20286"	0	0	0	0	6.05798112602753	0	7.18977931563191	0	0	11.7723743589934	0	0	3.7896504016287	0	0	0	0	0
"C957517"	"957-51-7"	"Diphenamid"	"DSSTox_24072"	0	0	7.64925039278058	0	0	0	0	0	0	9.38751327721909	0	4.69843899633331	3.64432831144099	0	0	3.68693726719539	0	0
"C95761"	"95-76-1"	"3,4-Dichloroaniline"	"DSSTox_21815"	0	0	0	0	5.67555895626269	5.31004806284809	0	0	0	0	0	3.78113725614393	3.54238558108425	0	0	0	5.32014762347854	4.46268557730835
"C95807"	"95-80-7"	"2,4-Diaminotoluene"	"DSSTox_20402"	0	0	0	0	0	0	0	0	0	0	0	0	5.46953476380038	0	0	0	3.83099491157979	0
"C95830"	"95-83-0"	"4-Chloro-1,2-diaminobenzene"	"DSSTox_20283"	0	0	0	0	0	0	0	0	0	0	0	1.81910950282744	2.16602914162814	-4.43990111654536	0	0	-2.85039597932697	0.0216257130108693
"C95874"	"95-87-4"	"2,5-Dimethylphenol"	"DSSTox_25145"	0	0	0	0	0	0	0	0	0	5.43407322114193	4.81872983743985	8.15417518188446	0	0	0	0	0	0
"C95932"	"95-93-2"	"1,2,4,5-Tetramethylbenzene"	"DSSTox_29124"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.11714125241934	0	4.89368601563048	0
"C95943"	"95-94-3"	"1,2,4,5-Tetrachlorobenzene"	"DSSTox_24320"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C95954"	"95-95-4"	"2,4,5-Trichlorophenol"	"DSSTox_24359"	0	0	0	0	0	-0.924557343770586	0	-1.36795135221452	0	0	-0.800354320839611	-0.567845199930662	-0.956426963510236	0	0	0	-2.0363657655134	0
"C959988"	"959-98-8"	"Endosulfan I"	"DSSTox_37539"	0	0	0	1.69720102112509	1.63429790949349	2.23926634229012	2.04811610319575	1.45758672837391	3.46818294766624	2.50680815717175	2.19751916668509	4.36649912780485	4.67886147921021	0.184899513626776	1.99558949799483	0	-0.786107390003013	-2.74404974154583
"C960714"	"960-71-4"	"Triphenylborane"	"DSSTox_27345"	7.10802260640796	7.02980124438423	8.71045228322304	4.67599224500685	4.46009364038312	4.93609703234233	4.99976565021954	5.14019760595411	4.98676547825356	5.07987313988096	5.24292517759074	8.64392270134656	7.57837095795886	4.74047480284198	5.19771217437411	8.39161985037119	5.30121108152439	0
"C96093"	"96-09-3"	"Styrene oxide"	"DSSTox_21286"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.98369915410699	0	0
"C96182535"	"96182-53-5"	"Tebupirimfos"	"DSSTox_32482"	0	0	0	0	0	0	0	0	0	0	-1.09210369863951	-0.676808866776413	6.05597458166523	0	0	0	0.551778847584519	0
"C96184"	"96-18-4"	"1,2,3-Trichloropropane"	"DSSTox_21390"	14.1736298805158	0	0	0	0	0	0	0	0	0	0	0	0	2.28524186766057	5.07376676770267	0	0	0
"C96231"	"96-23-1"	"1,3-Dichloro-2-propanol"	"DSSTox_25010"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C96242"	"96-24-2"	"3-Chloro-1,2-propanediol"	"DSSTox_20664"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.81190838558246	0	0
"C962583"	"962-58-3"	"Diazoxon"	"DSSTox_37523"	0	9.73223715914507	0	0	0	0	0	0	0	0	0	0	0	0	-1.02963403483495	12.6332387179868	0	0
"C96297"	"96-29-7"	"2-Butanone oxime"	"DSSTox_21821"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.14192388593276	0	0	0
"C96413"	"96-41-3"	"Cyclopentanol"	"DSSTox_33371"	7.29928221870623	0	0	0	0	0	0	0	0	0	0	0	0	0	4.93774006303422	4.46724996975665	0	0
"C96457"	"96-45-7"	"Ethylene thiourea"	"DSSTox_20601"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.05843300399925	4.68761735969445	11.1555196149973	0
"C96480"	"96-48-0"	"4-Butyrolactone"	"DSSTox_20224"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.51604215210366	0	0
"C96489713"	"96489-71-3"	"Pyridaben"	"DSSTox_32573"	0	0	0	0	0	0	0	0	0	0	0	-1.80123423299657	1.07541167655594	10.1026155732707	0	12.4692303356886	-0.916446027328253	11.2874046385315
"C96708"	"96-70-8"	"2-tert-Butyl-4-ethylphenol"	"DSSTox_44581"	0	0	2.57069594356709	1.46578966689357	0	1.87188710626536	0	0.910762124505505	0.666578793910247	1.14361966812205	1.60484682321214	0.837808725465882	0	-1.46898630798268	1.03253093665728	0	-1.09344378979775	-0.734312572960215
"C96764"	"96-76-4"	"2,4-Di-tert-butylphenol"	"DSSTox_26602"	0	0	0	0	0	0	0	3.28106953794388	0	0.395857352541684	0	0	0	-1.65340934492569	0	0	-1.73774939253878	-0.847092767820118
"C96833"	"96-83-3"	"Iopanoic acid"	"DSSTox_23159"	0	10.836717577024	7.2446028524395	5.04165037948717	4.06998350018072	4.49842094176814	4.3938458300203	0	4.03764449485272	0	0	8.38644997613054	8.18350995111821	7.59016350616968	5.76338491136855	7.49877921690009	5.41386723665257	0
"C97007"	"97-00-7"	"1-Chloro-2,4-dinitrobenzene"	"DSSTox_20278"	7.45577173633086	0	0	0	0	0	0	0	0	2.10693734216342	0.588135268093959	0	0	0.392061480303491	0	0	-0.261557871400635	-1.47241185517021
"C97234"	"97-23-4"	"Dichlorophen"	"DSSTox_21824"	0.159676031125536	-0.346905105465304	0	-0.080077461232692	2.97662079104726	0.532894499071183	0	0.853180803146599	0	0	1.2534529237597	6.21440120687946	3.28380490366472	-1.88197432387339	0	0	-0.533572441701594	-1.89232183712192
"C97322877"	"97322-87-7"	"Troglitazone"	"DSSTox_23719"	0	0	0	0	0	0	0	0	0	0	-0.487116497118691	2.58511300769569	7.81784026558107	-1.83758212380281	0	-0.384042791632337	-0.748056351731483	-1.44243785366271
"C97529"	"97-52-9"	"2-Methoxy-4-nitroaniline"	"DSSTox_38700"	0	0	0	0	0	0	0	0	8.46212552577465	0	5.97008493057851	0	0	0	0	0	5.15482344701871	0
"C97530"	"97-53-0"	"Eugenol"	"DSSTox_20617"	0	0	0	0	0	0	0	0	0	0	0	5.17509793933329	6.10675348065508	0	0	15.5395802196478	0	0
"C97541"	"97-54-1"	"Isoeugenol"	"DSSTox_22413"	0	0.154971499367782	0	-1.41747240723019	-1.01945560360144	-1.7565474011224	-1.54408853874057	-0.898997605294707	-1.54481453499567	-1.26840630727248	-1.00689283165115	-1.452576610783	0	0	-1.65766476383668	0	0	0
"C97563"	"97-56-3"	"2-Amino-5-azotoluene"	"DSSTox_20069"	1.12495288999397	1.50272064620503	0	0.305777644399379	1.8724974377434	0.49806802544028	2.12156814957353	0.198190259932649	1.41107824837292	-2.31572666585023	-0.324885951059393	4.85705642030052	3.17905708914501	-0.326882867986212	2.60398143789439	0	0.782120701100296	0
"C97596"	"97-59-6"	"Allantoin"	"DSSTox_20043"	0	0	0	0	0	0	0	0	3.64770598001992	0	0	0	0	0	5.20436805545568	0	0	0
"C97778"	"97-77-8"	"Disulfiram"	"DSSTox_21322"	0	0	0	0	0.725684181143548	0	0	-2.8971502684783	0	-2.60908189746542	-2.85786021370108	0	0	9.17362461349762	0	6.12348497148897	0	0
"C97789"	"97-78-9"	"N-Dodecanoyl-N-methylglycine"	"DSSTox_42011"	0	0	0	0	0	0	0	0	0	0	0	0	6.74773895415178	0	0	0	4.39917548551927	0
"C97886458"	"97886-45-8"	"Dithiopyr"	"DSSTox_32379"	0	0	0	-1.48460247848929	-1.37526215914008	-1.91015879080194	1.18042090907529	-0.684081336488331	2.261657374603	1.31767879644882	-1.02764423305548	0.702466836722762	0.881174305180508	-2.9367428771931	-0.786934568423367	0	-2.90216385461199	0
"C97994"	"97-99-4"	"Tetrahydrofurfuryl alcohol"	"DSSTox_29128"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C98000"	"98-00-0"	"Furfuryl alcohol"	"DSSTox_25347"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10.7792048435078	0
"C98011"	"98-01-1"	"Furfural"	"DSSTox_20647"	0	0	0	0	0	0	0	0	0	4.5545676889642	0	0	0	16.8322280862659	0	0	0	0
"C98066"	"98-06-6"	"tert-Butylbenzene"	"DSSTox_47138"	0	13.5127635313635	8.02273881187848	0	0	0	0	0	0	7.08064658048629	0	0	0	0	5.04657326420628	13.0285868529637	0	0
"C98077"	"98-07-7"	"Benzotrichloride"	"DSSTox_20148"	0	0	8.57477024536052	0	0	0	0	0	0	0	0	4.77447162970554	4.86140466552372	0	0	4.19664391180869	0	0
"C98319267"	"98319-26-7"	"Finasteride"	"DSSTox_20625"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.36533292533993
"C98511"	"98-51-1"	"4-tert-Butyltoluene"	"DSSTox_24704"	0	0	0	0	0	0	0	0	0	5.29856617552278	0	0	0	0	0	0	0	0
"C98522"	"98-52-2"	"4-tert-Butylcyclohexanol"	"DSSTox_26623"	0	0	0	0	0	4.89962614546764	0	0	0	0	0	5.93500205858305	5.5571996665727	0	0	0	15.7319576839283	0
"C98533"	"98-53-3"	"4-tert-Butylcyclohexanone"	"DSSTox_44394"	0.401567288172801	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C98544"	"98-54-4"	"4-tert-Butylphenol"	"DSSTox_20221"	5.26459552761701	10.3650936191081	5.94598508733708	4.71914415581987	4.67754847685422	5.66668102338594	6.13008616739283	5.47317135339092	6.32879711263542	6.71183916337327	7.45298890322953	10.5753017929878	8.90983377958304	0	8.07250660223618	8.27206445882953	0	0
"C98566"	"98-56-6"	"1-Chloro-4-(trifluoromethyl)benzene"	"DSSTox_24821"	0	0	0	0	1.89710231417644	0	0	0	0	0	5.90403800483794	0	0	0	5.34272109291107	0	0	0
"C98730042"	"98730-04-2"	"Benoxacor"	"DSSTox_29572"	12.2676404308447	15.9373664639585	10.2333700453748	0	3.11023117306006	0	0	0	0	0	0	9.06375939125733	0	6.08557863710674	0	0	16.643873461162	4.6687686679567
"C98862"	"98-86-2"	"Acetophenone"	"DSSTox_21828"	0	0	0	0	0	0	0	0	0	0	0	0	0	16.2758386364153	0	0	0	0
"C98873"	"98-87-3"	"Benzal chloride"	"DSSTox_25014"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.28447482947781	15.0261744369782	0	0
"C98886443"	"98886-44-3"	"Fosthiazate"	"DSSTox_34930"	0	0	0	0	0	0	0	0	0	7.37129087718995	0	5.19818954506005	5.80809689183235	18.3722693595551	0	0	13.7149263557921	0
"C98920"	"98-92-0"	"Niacinamide"	"DSSTox_20929"	0	0	0	0	3.04838226212485	0	3.99450711957506	0	0	0	0	0	0	0	0	0	0	0
"C989388"	"989-38-8"	"Rhodamine 6G"	"DSSTox_21243"	1.51653558444503	2.58262004392444	0.233946840586933	0	0	0	0	0	0	0	0	0	0	-1.2506687637933	0	9.93267570311899	9.90594325357462	8.50201325110364
"C98953"	"98-95-3"	"Nitrobenzene"	"DSSTox_20964"	0	0	0	0	0	0	0	0	0	0	0	6.22588972970897	5.34869530720266	0	0	0	0	0
"C98967409"	"98967-40-9"	"Flumetsulam"	"DSSTox_32615"	0	0	-4.73760039161533	0	0	0	0	0	0	0	0	0	0	0	0	-4.80817155062521	0	0
"C99070"	"99-07-0"	"3-Dimethylaminophenol"	"DSSTox_25101"	0	0	15.3794473257257	0	0	0	0	0	0	5.59503975851611	5.1150308969016	5.7428510319243	5.41807876586969	0	6.13408516631051	0	0	0
"C99081"	"99-08-1"	"3-Nitrotoluene"	"DSSTox_21831"	0	16.8042093560976	0	0	0	0	0	0	0	3.5842343599443	0	0	0	0	4.72400059367325	13.9369719501727	0	0
"C99309"	"99-30-9"	"Dicloran"	"DSSTox_20426"	0	0	0	0	0	0	0	0	0	0	0	-1.25079195181534	-0.537876242563851	-0.923384525757534	0	0	0	-2.1707950231606
"C99514"	"99-51-4"	"1,2-Dimethyl-4-nitrobenzene"	"DSSTox_25133"	0	0	0	0	0	0	0	0	0	0	0	2.98115853256822	0	0	4.36037030591854	0	0	0
"C99547"	"99-54-7"	"3,4-Dichloronitrobenzene"	"DSSTox_24999"	0	0	0	0	0	0	0	0	0	0	0	0	0	12.5406169409934	0	0	0	0
"C99558"	"99-55-8"	"2-Methyl-5-nitroaniline"	"DSSTox_20959"	0	0	0	0	0	0	0	0	0	0	0	12.0791656597146	0	0	0	0	0	0
"C99592"	"99-59-2"	"2-Methoxy-5-nitroaniline"	"DSSTox_20943"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14.4440236415642	0	0
"C99607702"	"99607-70-2"	"Cloquintocet-mexyl"	"DSSTox_41794"	0	0	0	0	0	0	0	0	0	2.04252477824665	-0.301115087682145	0	0	0	0	0	-0.27988725226279	0
"C99627"	"99-62-7"	"1,3-Diisopropylbenzene"	"DSSTox_26640"	0	0	0	0	0	7.34635374440199	0	0	0	0	0	0	0	0	4.63675646671584	0	0	0
"C99638"	"99-63-8"	"1,3-Benzenedicarbonyl dichloride"	"DSSTox_26641"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C99650"	"99-65-0"	"1,3-Dinitrobenzene"	"DSSTox_24065"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.10833354923654	0	4.52419793392739
"C99661"	"99-66-1"	"Valproic acid"	"DSSTox_23733"	0	8.95043790928231	15.5081619220182	0	0	0	0	0	0	0	4.91347561777617	0	0	0	0	5.13324901709671	0	0
"C99718"	"99-71-8"	"4-(Butan-2-yl)phenol"	"DSSTox_22332"	0	12.1160785637034	7.55302263249539	5.16427345761644	4.37015275449082	4.91399337458006	5.26809082003048	6.48371514036422	5.49018468712868	7.35930939744017	6.41093380564138	9.49157102318891	9.58595931277224	8.54991758074155	6.63997102023547	7.61041327958127	0	4.87909044473007
"C99763"	"99-76-3"	"Methylparaben"	"DSSTox_22529"	0	8.99096193759636	6.6092319423049	0	0	5.60900225557489	4.52610267374422	4.49883755445976	4.67493808899496	0	0	4.49003680990748	4.3571083495184	0	4.03468863676213	5.82193977541792	0	0
"C99854"	"99-85-4"	"gamma-Terpinene"	"DSSTox_41210"	0	0	0	0	0	0	0	0	0	0	0	0	0	5.93845931565139	0	12.3490866638856	0	0
"C99865"	"99-86-5"	"alpha-Terpinene"	"DSSTox_41237"	0	0	0	0	5.02454961350444	5.07297437903194	7.13749251605287	5.72564627150984	7.45104532988271	5.4616102635111	6.17287479445729	6.4862411169083	4.15670684813999	16.0258684926006	4.55809813749373	12.840141896777	0	0
"C99876"	"99-87-6"	"p-Cymene"	"DSSTox_26645"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C99898"	"99-89-8"	"4-Isopropylphenol"	"DSSTox_42299"	0	7.05136314299772	8.07476631878306	5.49553028281428	5.25946970436769	4.90231293275374	4.97225683999486	4.53713230606487	4.76912019952667	4.69748706592037	0	6.46143324456091	6.04027544532224	0	6.07485820403245	5.02785616825607	0	0
"C99934"	"99-93-4"	"4-Hydroxyacetophenone"	"DSSTox_29133"	0	0	0	0	3.83880708043829	0	0	0	0	0	0	9.00407482840641	4.93702938965444	0	4.17149329255868	0	0	0
"C99967"	"99-96-7"	"4-Hydroxybenzoic acid"	"DSSTox_26647"	0	0	0	0	0	0	0	0	0	0	0	4.71502493464431	4.7202609541029	6.04299343991537	3.14489354929339	0	0	0
"C99978"	"99-97-8"	"N,N,4-Trimethylaniline"	"DSSTox_21832"	0	0	0	0	0	0	0	0	0	5.59207434622201	0	5.15940321416929	4.56146382039233	0	4.73724507414994	0	0	0
"C99990"	"99-99-0"	"4-Nitrotoluene"	"DSSTox_23792"	0	0	0	0	0	0	0	0	0	0	0	0	0	18.3732497097987	4.0514522105518	0	0	0
"C999973"	"999-97-3"	"Hexamethyldisilazane"	"DSSTox_25395"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"CNOCAS34742"	"NOCAS_34742"	"Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)"	"DSSTox_34742"	0	0	0	0	0	0	0	0	0	6.29123430294202	0	0	0	-3.06036954238086	0	10.4257992362675	0.399419643376815	-2.89586582419274
"CNOCAS47248"	"NOCAS_47248"	"CI-1018"	"DSSTox_47248"	0	0	0	0	0	0	0	0	0	0.2134641887054	0	0	2.59454998061604	0	0	0	0	-1.64699365218636
"CNOCAS47255"	"NOCAS_47255"	"CP-465394"	"DSSTox_47255"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.16371718525964	4.07150153611824	0	0
"CNOCAS47265"	"NOCAS_47265"	"CP-471358"	"DSSTox_47265"	0	0	0	0	0	0	5.19713409015607	0	0	0	0	0	0	0	0	4.80596953659354	0	0
"CNOCAS47267"	"NOCAS_47267"	"CP-642931"	"DSSTox_47267"	0	0	0	0	0	0	0	0	0	5.8296732255236	0	0	0	0	0	6.07673937017119	0	4.775703649062
"CNOCAS47291"	"NOCAS_47291"	"CI-1044"	"DSSTox_47291"	0	0	0	0	0	0	0	0	0	4.42235029758499	6.24046288777998	0	4.84616555904137	0	0	0	0	5.25313759445027
"CNOCAS47292"	"NOCAS_47292"	"PD 0200347"	"DSSTox_47292"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12.2817731202923	0	0
"CNOCAS47299"	"NOCAS_47299"	"CP-422935"	"DSSTox_47299"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"CNOCAS47305"	"NOCAS_47305"	"CP-608039"	"DSSTox_47305"	0	0	0	0	8.61000473871868	0	0	0	0	0	0	0	0	17.8120137320053	0	0	0	0
"CNOCAS47311"	"NOCAS_47311"	"GSK163929B"	"DSSTox_47311"	0	0	0	0	0	0	0	0	0	0	-3.04576594983181	0	3.03633077797042	0	0	0	-1.27524870199037	-2.64452178650351
"CNOCAS47325"	"NOCAS_47325"	"SB413217A"	"DSSTox_47325"	0	0	0	0	0	0	-4.45772527747829	0	-2.56209660661312	-2.89625329679808	0	0	0	-2.50081644215155	-2.19511249204299	0	0	4.8996530477315
"CNOCAS47328"	"NOCAS_47328"	"MK-274"	"DSSTox_47328"	0	0	0	0	0	0	0	0	0	-1.54804797719627	0.388464803679325	0	4.0605038855014	0.779400210961789	0	0	-0.334450781145461	-0.844389888119534
"CNOCAS47330"	"NOCAS_47330"	"PharmaGSID_47330"	"DSSTox_47330"	0	0	0	-0.941370427830704	0	0	0	0	0	1.62276458766403	0	-1.53284075640194	0	0	0	0	-1.45532050130155	-2.52910512998773
"CNOCAS47333"	"NOCAS_47333"	"PharmaGSID_47333"	"DSSTox_47333"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"CNOCAS47334"	"NOCAS_47334"	"MK-968"	"DSSTox_47334"	0	0	0	0	0	0	0	0	0	-2.13720913103062	0	0	0	0	0	2.2569856826063	-0.637872603288742	-0.166593102606443
"CNOCAS47342"	"NOCAS_47342"	"SR125047"	"DSSTox_47342"	0	0	8.31813373839457	0	0	0	0	0	0	4.95506594243821	0.321046642418763	0	1.89897978708651	-0.777678978464435	0	0	0	-1.72378329483271
"CNOCAS47346"	"NOCAS_47346"	"SSR162369"	"DSSTox_47346"	0	0	0	0	0	0	0	0	0	0	0	0	15.8830329804332	0	-3.55673273822039	0.657487115781372	0	0
"CNOCAS47351"	"NOCAS_47351"	"SSR240612"	"DSSTox_47351"	0	0	0.0120543992948949	0	0	0	0	0	0	-0.520617148075999	2.03722168617841	0.921692616730189	2.03909110694882	-1.67071205145794	0	0	1.14864065270552	-2.17868879379902
"CNOCAS47353"	"NOCAS_47353"	"SSR241586"	"DSSTox_47353"	0	-1.22411036868487	7.07897985634466	0	0	0	0	0	0	-0.666033076219456	2.17509564466753	0	6.62760766744461	-2.4390952480662	0	0	-1.98092713466923	-2.23761566376854
"CNOCAS47362"	"NOCAS_47362"	"SSR150106"	"DSSTox_47362"	0	0	3.16005486815516	0	0	0	0	0	0	4.95283312064462	0	0	-0.341411610876322	-1.5404527150489	0	0	-1.2062452532276	-1.25627141586807
"CNOCAS47364"	"NOCAS_47364"	"SSR103800"	"DSSTox_47364"	0	0	4.52963997289246	0	0	0	0	0	0	-1.06296057993754	0	0	0	0	0	0	-2.17126653082437	-2.54796844880341
"CNOCAS47366"	"NOCAS_47366"	"SAR115740"	"DSSTox_47366"	0	-0.897191285806466	0	0	0	0	0	0	0	-3.35643646052455	-1.13956994706424	0	1.6586677907012	-2.0914362354128	0	0	0	-3.37437149524171
"CNOCAS47374"	"NOCAS_47374"	"SSR161421"	"DSSTox_47374"	0	0	0	0	0	0	0	0	0	0	0	0	2.80570527488627	10.5509332135972	0	0	-2.22693132158698	-2.10717187944409
"CNOCAS47377"	"NOCAS_47377"	"AVE6324"	"DSSTox_47377"	0	-1.12600168768075	0	0	0	0	0	0	0	5.20422222988214	0	-1.27494780927649	-1.97596654626319	-3.43216468664588	0	0	0	-3.84320715529141
"CNOCAS47379"	"NOCAS_47379"	"SSR126768"	"DSSTox_47379"	0	-1.09578728616515	0	0	0	0	0	0	0	0	0	0	4.72199005348719	-4.63637261932993	0	0	-1.35065227335316	-3.38840929067426
"CNOCAS47383"	"NOCAS_47383"	"AVE3247"	"DSSTox_47383"	0	0	0	0	0	0	0	0	0	0	0	0	10.3618671750229	0	0	0	0	0
"CNOCAS47385"	"NOCAS_47385"	"SAR377142"	"DSSTox_47385"	0	0	0	0	2.99705328213318	0.211244125333482	2.27284685669692	0	3.52582066275326	4.4314680216911	0	-0.788895579678492	8.15791082450324	0	0	0	0	0.89385674918759
"CNOCAS47387"	"NOCAS_47387"	"SAR102779"	"DSSTox_47387"	0	0	2.03136720268949	0	0	0	2.12693799953081	0	0	-1.16666214386152	0	0	-0.0961633891236585	0	7.82830239566538	0	-0.752555131852302	-1.28635184772277
"CNOCAS47389"	"NOCAS_47389"	"SAR150640"	"DSSTox_47389"	0	0	0	0	0	0	0	0	0.427040078154484	-2.20999089747591	0.216965720773658	0	0	0	0	-4.33598158815817	-1.56471201654312	0
"CNOCAS47708"	"NOCAS_47708"	"Igepal CO-890"	"DSSTox_47708"	0	0	0	0	0	6.05374698954118	5.63423263732805	5.43981346704657	5.74002183570529	0	0	0	0	6.20649575575466	3.84124302524294	0	10.5809579840355	11.3279447484509
"CNOCAS47796"	"NOCAS_47796"	"Formalin"	"DSSTox_47796"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
