"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	0	0	0	0	0	0	0	0	0
"C100016"	"100-01-6"	"4-Nitroaniline"	"DSSTox_20961"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57.7770381703923	0
"C100027"	"100-02-7"	"4-Nitrophenol"	"DSSTox_21834"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C10016203"	"10016-20-3"	"alpha-Cyclodextrin"	"DSSTox_30698"	86.6380705937283	90.2742698048239	89.9509135373391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C100210"	"100-21-0"	"Terephthalic acid"	"DSSTox_26080"	0	0	0	0	0	0	39.1461323656035	0	0	0	0	0	0	0	0	0	0	0
"C10025748"	"10025-74-8"	"Dysprosium(III) chloride"	"DSSTox_41909"	0	0	0	0	0	0	0	0	0	0	82.7644568092229	0	0	0	0	0	0	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	0	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	0	0	0
"C10043353"	"10043-35-3"	"Boric acid"	"DSSTox_20194"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C100516"	"100-51-6"	"Benzyl alcohol"	"DSSTox_20152"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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"	68.8864501073774	0	0	0	0	0	0	0	0	0	0	0	16.4360519586995	0	0	0	0	0
"C10081671"	"10081-67-1"	"4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline"	"DSSTox_27721"	0	0	34.5680068047161	0	0	0	0	0	0	0	0	0	0	0	0	0	64.4255907302176	0
"C1008726"	"1008-72-6"	"Sodium 2-formylbenzenesulfonate"	"DSSTox_41643"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24.4249838039159	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	35.4602171108242	0	0	0	0	0	0
"C100970"	"100-97-0"	"Methenamine"	"DSSTox_20692"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25.2966525185084	0	0
"C101020"	"101-02-0"	"Triphenyl phosphite"	"DSSTox_26252"	0	0	30.5962562568716	0	0	0	0	0	31.5280322324443	0	0	75.5939497945913	40.526359121046	0	0	40.6343161181565	0	0
"C101053"	"101-05-3"	"Anilazine"	"DSSTox_20089"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67.4043963224358	0	0
"C101100"	"101-10-0"	"Cloprop"	"DSSTox_34232"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C101202"	"101-20-2"	"Triclocarban"	"DSSTox_26214"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33.1917643135307	109.565529629219
"C101213"	"101-21-3"	"Chlorpropham"	"DSSTox_20764"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C101371"	"101-37-1"	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	"DSSTox_37754"	0	0	0	0	0	0	42.3779016134941	0	57.3133652816561	0	0	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	0	0	0
"C101463698"	"101463-69-8"	"Flufenoxuron"	"DSSTox_41978"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	103.22900440115
"C101542"	"101-54-2"	"N-Phenyl-1,4-benzenediamine"	"DSSTox_25895"	0	0	0	0	0	0	0	0	0	0	0	77.7899128979003	38.785921869838	0	0	0	0	0
"C101553"	"101-55-3"	"p-Bromodiphenyl ether"	"DSSTox_23927"	0	0	0	41.8016566278911	0	81.3014824931167	0	0	0	0	0	33.2457004674373	29.7220634222418	0	0	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	81.4035739381238	20.1308687377608	0	0	58.874699356128	0	0
"C10161338"	"10161-33-8"	"17beta-Trenbolone"	"DSSTox_34192"	95.5554692778508	97.4345242282252	98.2109069384464	75.511931456706	0	66.8145910037938	26.1561712817095	114.55366097497	36.0221139923178	97.7584019273829	36.2176165761294	82.942847176158	96.3013177598212	85.2930449915218	110.490736970588	147.454022008988	0	0
"C101779"	"101-77-9"	"4,4'-Methylenedianiline"	"DSSTox_22422"	0	0	0	0	0	0	0	0	0	0	0	79.3097534229805	52.428857315756	0	49.2628050997086	53.2237221304301	0	0
"C101804"	"101-80-4"	"4,4'-Oxydianiline"	"DSSTox_21094"	0	0	0	0	0	41.228779198466	27.9136176535899	0	0	0	0	93.3111485799745	62.8994697428612	0	0	0	0	0
"C101815"	"101-81-5"	"Diphenylmethane"	"DSSTox_41891"	0	0	0	0	0	57.5064403254416	0	0	0	36.9623548303053	0	30.5579826415355	18.3192298317738	0	37.8534896724826	25.5695209904185	0	0
"C101837"	"101-83-7"	"Dicyclohexylamine"	"DSSTox_25018"	0	0	0	0	0	0	0	0	0	0	0	89.3860540837677	75.547760631338	0	0	0	0	0
"C101848"	"101-84-8"	"Diphenyl oxide"	"DSSTox_21847"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48.5455193019002	0	0
"C101860"	"101-86-0"	"2-Benzylideneoctanal"	"DSSTox_26684"	0	0	0	0	0	0	0	0	0	0	0	47.2780771644297	16.4592957962348	0	67.584641314228	0	0	0
"C102067"	"102-06-7"	"1,3-Diphenylguanidine"	"DSSTox_25178"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53.4660716578858
"C10222012"	"10222-01-2"	"2,2-Dibromo-3-nitrilopropionamide"	"DSSTox_32361"	0	0	0	0	0	0	0	0	0	0	0	105.25670798192	45.1274242754265	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	0	0	34.297949555507	30.4172183554455	0	0	36.0661204079775	0	0	0	0	0	0
"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	0	35.8809997747089	0	0	0
"C10265926"	"10265-92-6"	"Methamidophos"	"DSSTox_24177"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C102676313"	"102676-31-3"	"Fadrozole hydrochloride"	"DSSTox_20618"	0	65.9062087864791	0	0	0	0	0	0	0	74.1463414591727	84.8067101648033	44.8835100849127	66.0536215140857	0	0	163.373835484147	0	0
"C102716"	"102-71-6"	"Triethanolamine"	"DSSTox_21392"	0	0	0	0	0	0	0	0	0	0	0	0	13.2067873421959	0	0	34.9378508391912	0	0
"C102761"	"102-76-1"	"Triacetin"	"DSSTox_26691"	0	0	0	0	0	0	0	0	0	0	0	72.1951363692777	42.0334536898842	0	77.8460705707067	0	0	0
"C102829"	"102-82-9"	"Tributylamine"	"DSSTox_26183"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C103055078"	"103055-07-8"	"Lufenuron"	"DSSTox_34357"	0	0	0	0	0	0	0	0	0	0	0	0	13.7567337950232	0	0	0	0	0
"C103093"	"103-09-3"	"2-Ethylhexyl acetate"	"DSSTox_26694"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1031078"	"1031-07-8"	"Endosulfan sulfate"	"DSSTox_37541"	0	0	0	0	0	0	67.2155460928284	0	0	0	0	0	23.5542882277292	0	0	30.6377595134342	0	80.020747125477
"C103117"	"103-11-7"	"2-Ethylhexyl acrylate"	"DSSTox_25297"	0	0	0	0	0	0	0	0	0	99.610443507075	0	0	0	0	0	0	0	0
"C103231"	"103-23-1"	"Di(2-ethylhexyl) adipate"	"DSSTox_20606"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C103242"	"103-24-2"	"Bis(2-ethylhexyl) nonanedioate"	"DSSTox_26697"	0	0	0	0	0	0	0	0	0	0	0	0	17.4389892270561	0	0	0	0	0
"C103333"	"103-33-3"	"Azobenzene"	"DSSTox_20123"	0	0	0	0	0	0	0	0	0	0	0	0	24.1789687541549	0	0	0	0	0
"C103344"	"103-34-4"	"4,4'-Dithiodimorpholine"	"DSSTox_26698"	0	0	0	0	0	0	0	0	0	0	0	36.043070167737	0	0	0	0	0	0
"C103361097"	"103361-09-7"	"Flumioxazin"	"DSSTox_32555"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57.2109147807423	0	0
"C1034011"	"1034-01-1"	"Octyl gallate"	"DSSTox_40713"	33.7332832260778	35.6477369821201	113.403461933974	96.9299667350886	0	144.370200933414	0	55.1222145423346	0	28.5246546294027	0	116.709505182922	13.9007341781632	44.0644784582128	0	0	91.4237458452801	97.3176359152544
"C103413"	"103-41-3"	"Benzyl cinnamate"	"DSSTox_41663"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32.6416091840374	0	0	0
"C103651"	"103-65-1"	"Propylbenzene"	"DSSTox_42219"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C103695"	"103-69-5"	"N-Ethylaniline"	"DSSTox_25271"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C103764"	"103-76-4"	"1-Piperazineethanol"	"DSSTox_21853"	0	0	0	0	0	0	0	0	0	21.9484109839884	0	0	0	0	0	0	0	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	0	0	0	0
"C104132"	"104-13-2"	"4-Butylaniline"	"DSSTox_21856"	0	0	0	0	0	42.731271036282	0	0	0	0	0	33.7200748440087	25.4565226416425	0	0	0	0	0
"C104206828"	"104206-82-8"	"Mesotrione"	"DSSTox_32424"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C104405"	"104-40-5"	"4-Nonylphenol"	"DSSTox_33836"	0	0	0	109.529007727109	26.1198428745172	142.331100017598	196.162038360563	63.758009178895	72.1324658708206	0	0	55.66131847538	33.6465064904937	0	81.4101596452901	43.669972885452	0	0
"C104438"	"104-43-8"	"4-Dodecylphenol"	"DSSTox_22508"	34.88906420116	71.6521613252698	0	85.678915116665	129.002138008637	162.129889605178	127.121291972965	68.5730341967015	77.7225812389706	126.809815949136	95.3858891969839	71.876991287555	82.3753891481543	65.578746142072	72.5888328883011	97.6404846343362	56.7952060702128	130.174440833476
"C104450"	"104-45-0"	"4-Propylanisole"	"DSSTox_42325"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32.3321704980756	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	0	0
"C10453868"	"10453-86-8"	"Resmethrin"	"DSSTox_22253"	0	0	0	0	0	0	0	0	0	0	0	35.2909858358773	0	0	39.2444800678055	0	42.9963573467756	0
"C104541"	"104-54-1"	"3-Phenyl-2-propen-1-ol"	"DSSTox_41491"	0	0	0	0	0	0	0	0	0	0	0	54.6585442912145	59.742098563848	0	43.4775823351691	36.3685196020986	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	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0
"C104767"	"104-76-7"	"2-Ethyl-1-hexanol"	"DSSTox_20605"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C104795688"	"104795-68-8"	"CI-959"	"DSSTox_47268"	0	0	0	0	0	0	0	0	0	0	0	57.779982555287	29.999999999704	0	0	0	82.4919974772446	44.0103788799259
"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	0	0	0
"C10540291"	"10540-29-1"	"Tamoxifen"	"DSSTox_34187"	95.3806338835637	102.989599650303	97.8049138682009	279.39052673585	469.357217979525	532.284069033403	408.244659502634	302.342414872118	300.495006114778	96.5893259216617	95.9494712967735	0	0	158.723361233699	0	44.6390046505634	98.3354507921751	103.567168640868
"C105512069"	"105512-06-9"	"Clodinafop-propargyl mixt."	"DSSTox_32354"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34.8976906710565	0
"C105533"	"105-53-3"	"Diethyl propanedioate"	"DSSTox_21863"	0	0	0	0	0	0	0	0	0	0	0	0	47.3172996847675	0	35.752208700029	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	0	0	0	0
"C105555"	"105-55-5"	"N,N'-Diethylthiourea"	"DSSTox_20466"	0	0	67.9501528160782	0	0	0	0	0	0	0	0	0	0	0	73.5767407082696	0	0	0
"C105602"	"105-60-2"	"Caprolactam"	"DSSTox_20240"	0	0	0	0	0	0	0	0	0	0	0	41.7034026317743	0	0	0	0	0	0
"C105624860"	"105624-86-0"	"5HPP-33"	"DSSTox_46970"	82.4263285149261	57.3944963082378	82.5313256407839	97.1663894643951	0	131.760390845242	0	96.3285030411486	0	93.4243502657089	80.5504394521564	58.4141262287345	48.3817196029705	72.3381164719852	89.3169763757147	138.251395983576	114.301044376308	115.733109334759
"C105679"	"105-67-9"	"2,4-Dimethylphenol"	"DSSTox_21864"	0	0	0	0	0	0	0	0	0	0	0	35.1425719817795	0	0	0	0	0	0
"C105873"	"105-87-3"	"Geranyl acetate"	"DSSTox_20654"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C105997"	"105-99-7"	"Dibutyl hexanedioate"	"DSSTox_21866"	0	0	0	0	0	0	0	0	0	0	0	0	16.2364971182847	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	0	32.4789801581268	0	0	0
"C1061517621"	"1061517-62-1"	"PharmaGSID_47337"	"DSSTox_47337"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73.1354130949428	0
"C106229"	"106-22-9"	"Citronellol"	"DSSTox_26726"	0	0	0	0	0	0	0	0	0	0	0	55.5318071655073	17.321935711628	0	0	0	0	0
"C106230"	"106-23-0"	"Citronellal"	"DSSTox_41790"	0	0	0	0	0	0	0	0	0	42.2506337129379	0	0	0	0	0	0	0	0
"C106241"	"106-24-1"	"Geraniol"	"DSSTox_26727"	0	0	0	0	0	0	0	0	0	0	0	47.3188210175133	16.7506456951052	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	0	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	0	0	0	0
"C106309"	"106-30-9"	"Ethyl heptanoate"	"DSSTox_40112"	0	0	0	0	0	0	0	0	0	0	0	64.661300990335	54.806630271119	0	54.293629242497	0	0	0
"C106434"	"106-43-4"	"4-Chlorotoluene"	"DSSTox_24814"	0	0	0	0	0	0	0	0	0	0	0	0	55.3709718275335	0	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	0	36.0443786030327	0	0	0	0	0	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	73.6027367209179	0
"C106489"	"106-48-9"	"4-Chlorophenol"	"DSSTox_21871"	70.0998177452199	99.1583528374617	54.1959373782775	0	0	43.1184859890612	0	60.2196431550865	36.7851940867365	0	0	84.6244955718337	36.8186773852208	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	0	0	0	0	0
"C106503"	"106-50-3"	"1,4-Benzenediamine"	"DSSTox_21138"	0	0	0	0	0	0	36.3905763475718	0	54.0385149618505	45.1452280077721	68.4395897609107	0	0	21.1556441555154	42.8318634545357	0	43.2662182303186	0
"C106650"	"106-65-0"	"Dimethyl succinate"	"DSSTox_25152"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0
"C1067534"	"1067-53-4"	"Tris(2-methoxyethoxy)vinylsilane"	"DSSTox_27356"	0	0	31.6481020394288	0	0	0	0	0	0	0	0	0	0	0	0	26.4411520284956	0	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	0	0	0	0	0	0	0	0	0
"C106934"	"106-93-4"	"1,2-Dibromoethane"	"DSSTox_20415"	0	0	0	0	0	0	0	0	0	0	0	36.258821948264	26.4489543294588	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	0	0	0	0
"C107131"	"107-13-1"	"Acrylonitrile"	"DSSTox_20029"	0	0	0	0	0	0	0	0	0	0	0	0	45.3112591380075	0	0	31.1133993025343	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	0	0	0
"C107200"	"107-20-0"	"Chloroacetaldehyde"	"DSSTox_20292"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57.590818999014	0	0	0
"C107211"	"107-21-1"	"Ethylene glycol"	"DSSTox_20597"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1072157"	"1072-15-7"	"Sulfuric acid, monononyl ester, sodium salt"	"DSSTox_47487"	0	76.2911426023478	92.8362969947206	0	0	0	0	0	0	0	0	75.107974687843	80.117443690113	0	83.0477731905016	53.5208676954815	0	0
"C107302"	"107-30-2"	"Chloromethyl methyl ether"	"DSSTox_20307"	0	0	0	0	0	0	0	0	0	0	0	42.9021759904457	64.9078098289415	0	0	59.3359217621201	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	32.951542145207	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	25.6683408402682	0	0	0	0	0	0	0	0	0	0
"C107540"	"107-54-0"	"3,5-Dimethyl-1-hexyn-3-ol"	"DSSTox_41472"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1076977"	"1076-97-7"	"1,4-Cyclohexanedicarboxylic acid"	"DSSTox_38788"	36.6607490428751	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	0	0	0	0	0	0	0	0	0
"C107879"	"107-87-9"	"2-Pentanone"	"DSSTox_21888"	0	0	0	0	0	0	0	0	36.9773977566008	0	34.6787149763795	0	0	0	0	24.70100977626	0	0
"C107880"	"107-88-0"	"1,3-Butanediol"	"DSSTox_26773"	0	0	0	0	0	0	0	0	0	0	0	111.36194668057	60.9595508763872	0	0	0	0	0
"C107926"	"107-92-6"	"Butanoic acid"	"DSSTox_21515"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C107982"	"107-98-2"	"1-Methoxy-2-propanol"	"DSSTox_24284"	91.4359386972521	99.2933930028446	112.049059502134	0	0	0	0	0	0	0	0	0	0	0	71.8396363500363	0	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	0	0	0
"C108214"	"108-21-4"	"Isopropyl acetate"	"DSSTox_25478"	0	0	0	0	0	0	25.96090514713	0	49.0535630833214	0	64.7702887650106	0	0	0	55.6888881540705	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	44.7735807705746	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	36.9995046382275	0	0
"C108394"	"108-39-4"	"m-Cresol"	"DSSTox_24200"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0
"C108441"	"108-44-1"	"3-Methylaniline"	"DSSTox_26792"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	38.7738068709884	0	50.7676014590918	0	50.9767441619566	0	0	0	0	28.2441493920367	0	0
"C1085127"	"1085-12-7"	"Heptylparaben"	"DSSTox_22523"	33.0509402630954	85.8139173393144	54.6220774703407	144.041527073582	187.071793705499	201.041635748219	323.078237019981	110.781795420547	87.668108117649	69.3494704713686	38.100360303447	55.808068935182	113.627539367712	23.9054422829159	188.253858175708	117.811656934718	95.3383470826663	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	0	0	0
"C108689"	"108-68-9"	"3,5-Dimethylphenol"	"DSSTox_25148"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24.1414442741967	0	0
"C108770"	"108-77-0"	"2,4,6-Trichloro-s-triazine"	"DSSTox_26799"	0	0	0	0	0	0	0	0	74.2312834344285	0	0	0	0	0	73.4368508960973	0	0	0
"C108805"	"108-80-5"	"Cyanuric acid"	"DSSTox_24873"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C108838"	"108-83-8"	"Diisobutyl ketone"	"DSSTox_25080"	0	0	0	0	74.4058484790096	0	37.393913066708	0	0	0	0	0	0	0	0	0	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	0	0	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	0	0	0	0	0	0	0	0	0	0	0	0
"C108952"	"108-95-2"	"Phenol"	"DSSTox_21124"	0	39.5530646379962	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	0	0	88.627730348605	107.149190212727	0	55.6174095227409	0	0	0
"C109024"	"109-02-4"	"4-Methylmorpholine"	"DSSTox_29146"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C109433"	"109-43-3"	"Dibutyl decanedioate"	"DSSTox_41847"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C109466"	"109-46-6"	"N,N'-Dibutylthiourea"	"DSSTox_42187"	0	0	0	0	0	0	0	0	29.6550503880972	0	0	0	0	0	0	0	0	0
"C109524"	"109-52-4"	"Pentanoic acid"	"DSSTox_21655"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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	0	0	0	0
"C109864"	"109-86-4"	"2-Methoxyethanol"	"DSSTox_24182"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45.5186896742118	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	0	0	0
"C110123"	"110-12-3"	"5-Methyl-2-hexanone"	"DSSTox_21914"	0	0	0	0	52.7551489096055	0	0	0	180.519828319375	0	0	0	0	0	0	0	0	0
"C110156"	"110-15-6"	"Butanedioic acid"	"DSSTox_23602"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36.6390830068889	0	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	0	0
"C110235477"	"110235-47-7"	"Mepanipyrim"	"DSSTox_42121"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55.3343715524632	0	0	0
"C110258"	"110-25-8"	"Oleyl sarcosine"	"DSSTox_42243"	0	0	0	0	0	31.6202003717474	0	0	0	27.4280314556469	0	0	0	0	0	0	91.2424897585944	0
"C110269"	"110-26-9"	"N,N'-Methylenebisacrylamide"	"DSSTox_25595"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0
"C110338"	"110-33-8"	"Dihexyl hexanedioate"	"DSSTox_26841"	0	0	0	0	0	0	0	0	0	0	0	0	20.4422997740384	0	0	0	0	0
"C110429"	"110-42-9"	"Methyl decanoate"	"DSSTox_26842"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24.609050298742	0	0
"C110430"	"110-43-0"	"2-Heptanone"	"DSSTox_21916"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C110441"	"110-44-1"	"Sorbic acid"	"DSSTox_21277"	0	0	0	0	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	0	0	0	0	0	0	0	0	0
"C110623"	"110-62-3"	"Pentanal"	"DSSTox_21653"	0	0	0	0	0	0	0	0	0	0	0	45.8908967932055	0	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	0	0	0	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	0
"C110690"	"110-69-0"	"Butanal oxime"	"DSSTox_24664"	0	0	0	0	0	0	0	0	0	0	0	0	43.4012823596993	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	44.7145740185295	55.6080434185659	0	0
"C110805"	"110-80-5"	"2-Ethoxyethanol"	"DSSTox_24087"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C110850"	"110-85-0"	"Piperazine"	"DSSTox_21164"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61.8861950024943	24.8945774364979	0	0
"C110872"	"110-87-2"	"3,4-Dihydro-2H-pyran"	"DSSTox_41426"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33.4231468158338	0	0
"C110918"	"110-91-8"	"Morpholine"	"DSSTox_25688"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C110974"	"110-97-4"	"Diisopropanolamine"	"DSSTox_20179"	0	0	0	0	45.7551362683164	0	84.7208730882256	0	62.2916357181186	0	98.9244029951913	0	0	0	0	82.3002305664859	0	0
"C11099073"	"11099-07-3"	"Glyceryl stearates"	"DSSTox_29304"	0	0	0	0	0	0	0	0	0	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	0	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	0	0	0	0
"C111159"	"111-15-9"	"2-Ethoxyethyl acetate"	"DSSTox_21928"	0	0	0	0	0	0	0	0	0	0	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	0	0
"C111206"	"111-20-6"	"Decanedioic acid"	"DSSTox_26867"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28.4054717358083	0	0
"C111217"	"111-21-7"	"Triethylene glycol diacetate"	"DSSTox_26223"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1112396"	"1112-39-6"	"Dimethoxydimethylsilane"	"DSSTox_42379"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111273"	"111-27-3"	"1-Hexanol"	"DSSTox_21931"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38.5599420915059	0	0	0
"C111308"	"111-30-8"	"Glutaraldehyde"	"DSSTox_25355"	38.788777139185	0	0	0	0	0	66.9704558512199	0	0	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	99.9374959974327	0	0	0	0	0	0	0	0
"C111422"	"111-42-2"	"Diethanolamine"	"DSSTox_21932"	0	0	0	0	116.885174997795	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111444"	"111-44-4"	"Bis(2-chloroethyl) ether"	"DSSTox_20168"	0	0	0	0	0	0	0	0	0	0	0	0	58.5770040726923	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	96.7533719053876	0	0	0	0	0	0	0	0	0	59.7401635852407	0	0	0	0	0	0
"C111499"	"111-49-9"	"Hexamethyleneimine"	"DSSTox_26879"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38.1371641232902	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	0	0	0	0	0	0	0	0
"C111693"	"111-69-3"	"Hexanedinitrile"	"DSSTox_21936"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111706"	"111-70-6"	"1-Heptanol"	"DSSTox_21937"	0	0	0	0	0	0	0	0	0	0	0	75.0674571020773	65.5460599411463	0	0	0	0	0
"C111717"	"111-71-7"	"Heptanal"	"DSSTox_21597"	0	0	0	0	0	0	33.9924299114165	0	23.9822283060831	0	0	33.877566868102	20.7344334054833	0	0	46.0160325945009	0	0
"C111762"	"111-76-2"	"2-Butoxyethanol"	"DSSTox_24097"	0	0	0	0	0	0	0	0	0	0	0	0	16.935848384183	0	0	0	0	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	0	0	0	0	0	0	59.9334306097366	44.5783053144104	89.5907377428522
"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	18.1783176453691	0	0	40.7888873103882	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	0	0	0	0	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	0	0	0
"C111900"	"111-90-0"	"2-(2-Ethoxyethoxy)ethanol"	"DSSTox_21941"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0
"C111988499"	"111988-49-9"	"Thiacloprid"	"DSSTox_34961"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C111991094"	"111991-09-4"	"Nicosulfuron"	"DSSTox_34764"	0	0	0	0	0	0	0	0	0	0	0	66.4841065478348	14.7476842176717	0	0	0	0	0
"C1120010"	"1120-01-0"	"Sodium hexyldecyl sulfate"	"DSSTox_42400"	0	0	112.636634820685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1120043"	"1120-04-3"	"Octadecyl sulfate sodium salt"	"DSSTox_47103"	0	0	0	0	0	0	30.3174661041988	0	35.0649248816171	0	0	0	44.3765122743315	0	0	71.2514256153946	59.3825545110069	0
"C112005"	"112-00-5"	"Dodecyltrimethylammonium chloride"	"DSSTox_26900"	0	0	31.0070892954361	0	0	0	0	0	0	0	0	0	0	0	0	81.35347987068	63.769803415206	114.898744483371
"C1120214"	"1120-21-4"	"Undecane"	"DSSTox_21689"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112050"	"112-05-0"	"Nonanoic acid"	"DSSTox_21641"	0	0	0	0	0	0	0	0	0	0	0	0	17.803885684567	0	0	0	0	0
"C1120714"	"1120-71-4"	"1,3-Propane sultone"	"DSSTox_21195"	0	0	0	0	0	0	0	0	24.4691731517484	0	0	0	0	0	0	0	0	0
"C112072"	"112-07-2"	"2-Butoxyethyl acetate"	"DSSTox_26904"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112129"	"112-12-9"	"2-Undecanone"	"DSSTox_21943"	0	0	0	175.859401528722	0	0	0	0	0	0	0	0	15.7124539472035	0	0	0	0	0
"C112141"	"112-14-1"	"Octyl acetate"	"DSSTox_44202"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112185"	"112-18-5"	"N,N-Dimethyldodecan-1-amine"	"DSSTox_26906"	0	0	0	22.8414780561359	0	0	51.4802933202317	65.2249696923153	0	0	0	0	0	0	0	0	0	0
"C112226616"	"112226-61-6"	"Halofenozide"	"DSSTox_32619"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30.8726420802873	0	0
"C112254"	"112-25-4"	"2-(Hexyloxy)ethanol"	"DSSTox_26908"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112276"	"112-27-6"	"Triethylene glycol"	"DSSTox_21393"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112281773"	"112281-77-3"	"Tetraconazole"	"DSSTox_34956"	0	0	0	0	0	0	0	0	0	120.358627342913	0	44.844123598555	0	0	0	0	78.934815195053	101.907652563839
"C112301"	"112-30-1"	"1-Decanol"	"DSSTox_21946"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51.8253207855975	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	36.7559333885065	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	33.0931903743794	0	0
"C112356"	"112-35-6"	"2-[2-(2-Methoxyethoxy)ethoxy]ethanol"	"DSSTox_26912"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112389"	"112-38-9"	"10-Undecenoic acid"	"DSSTox_35001"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55.4383399923126	0
"C112410238"	"112410-23-8"	"Tebufenozide"	"DSSTox_34948"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53.1659732584933	0
"C112425"	"112-42-5"	"1-Undecanol"	"DSSTox_26915"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	159.232092377464	31.2101778785543	0	0	0	0	0	0	0	25.0314010599847	0	0	0	0	0
"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	0
"C112550"	"112-55-0"	"1-Dodecanethiol"	"DSSTox_25220"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112607"	"112-60-7"	"Tetraethylene glycol"	"DSSTox_26922"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112630"	"112-63-0"	"Methyl linoleate"	"DSSTox_20843"	0	41.2967683636467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	78.7001421628946	0
"C112709"	"112-70-9"	"1-Tridecanol"	"DSSTox_21947"	0	0	0	0	0	0	0	0	0	0	0	40.6763598822552	0	0	49.8286069629154	0	0	0
"C112721"	"112-72-1"	"1-Tetradecanol"	"DSSTox_26926"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112733069"	"112733-06-9"	"Zenarestat"	"DSSTox_47296"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112801"	"112-80-1"	"Oleic acid"	"DSSTox_25809"	0	0	90.2254098660615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C112809515"	"112809-51-5"	"Letrozole"	"DSSTox_23202"	0	0	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	0	0	0	0	70.0985952101244	0
"C1134232"	"1134-23-2"	"Cycloate"	"DSSTox_32356"	0	0	0	0	0	0	0	0	0	0	0	31.697622946402	15.4860848985578	0	0	0	0	0
"C113484"	"113-48-4"	"MGK-264"	"DSSTox_32562"	0	0	0	0	0	0	0	0	0	0	0	48.5148357347213	0	0	0	0	49.660899040707	0
"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	0	0	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	0	0	0	0	0	0
"C114311329"	"114311-32-9"	"Imazamox"	"DSSTox_34664"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0
"C114369436"	"114369-43-6"	"Fenbuconazole"	"DSSTox_32548"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41.858571538987	80.4104294591206	104.846827298327
"C115286"	"115-28-6"	"Chlorendic acid"	"DSSTox_20268"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C115297"	"115-29-7"	"Endosulfan"	"DSSTox_20560"	0	0	0	0	0	0	0	26.5211518359119	0	0	0	70.4016718671378	24.7227276070297	0	41.0638624846969	0	0	60.1097200843312
"C115322"	"115-32-2"	"Dicofol"	"DSSTox_20450"	0	0	0	20.1900143416975	0	58.7202297283476	73.1267603682927	34.5405416291918	29.1496953354481	0	0	0	0	0	0	0	58.1531331625488	93.6650797909889
"C115399"	"115-39-9"	"Bromophenol blue"	"DSSTox_41682"	0	0	0	0	0	29.9051191241206	0	40.8200950614503	0	0	0	0	0	0	0	0	0	117.446018323185
"C1156190"	"1156-19-0"	"Tolazamide"	"DSSTox_21358"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50.178904930503	0	0	0
"C115775"	"115-77-5"	"Pentaerythritol"	"DSSTox_26943"	0	90.5399584939796	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C115866"	"115-86-6"	"Triphenyl phosphate"	"DSSTox_21952"	0	0	0	62.7283326851559	0	92.6653636784602	33.8382740750566	50.0223286677056	0	76.2784099607333	91.8823435318066	0	22.1255555354109	0	31.6208548184908	0	0	0
"C115957"	"115-95-7"	"Linalyl acetate"	"DSSTox_26946"	68.8838821466746	109.25982786528	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	0	0	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	40.2208442047216	0	0
"C116063"	"116-06-3"	"Aldicarb"	"DSSTox_39223"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C116255482"	"116255-48-2"	"Bromuconazole"	"DSSTox_32531"	0	32.0695550290938	0	0	0	0	0	0	0	0	0	55.8764685822115	17.6531000972067	0	0	28.7341021279704	0	91.180351495531
"C116256"	"116-25-6"	"1-(Hydroxymethyl)-5,5-dimethylhydantoin"	"DSSTox_35152"	0	0	0	0	0	0	26.6719834102463	0	53.5818988138258	0	0	54.9999202519543	24.7200142753323	0	46.4853292560233	0	0	0
"C1166525"	"1166-52-5"	"Dodecyl gallate"	"DSSTox_48189"	0	0	66.5657260779682	0	0	76.8601163471071	0	0	0	56.3061480211737	0	43.9228033122457	0	74.5896274994783	0	0	105.891217273027	115.594094859169
"C116714466"	"116714-46-6"	"Novaluron"	"DSSTox_34773"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0
"C117337196"	"117337-19-6"	"Fluthiacet-methyl"	"DSSTox_32556"	0	0	0	0	0	0	0	0	0	0	0	0	16.7282630783427	0	0	0	0	0
"C117395"	"117-39-5"	"Quercetin"	"DSSTox_21218"	0	0	0	0	0	0	52.5379573518383	0	80.331043386158	29.2606107124256	0	103.236202055372	72.1497568475245	82.5031304113073	74.8510043908053	54.9135877183224	50.4672978763501	0
"C117428225"	"117428-22-5"	"Picoxystrobin"	"DSSTox_47542"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55.7151423807927	90.9772006170281	108.179097349985
"C117718602"	"117718-60-2"	"Thiazopyr"	"DSSTox_32488"	0	0	0	0	0	35.6616473964402	0	28.3444834370256	0	0	0	115.13381372756	15.8034346799012	0	0	27.7116501412462	0	0
"C117793"	"117-79-3"	"2-Aminoanthraquinone"	"DSSTox_20068"	0	0	0	0	0	0	0	0	0	0	0	86.689551558724	39.9898997603992	0	45.2843215302428	0	0	0
"C117806"	"117-80-6"	"Dichlone"	"DSSTox_20425"	0	0	0	0	0	0	0	0	0	0	0	0	21.5973569036619	0	0	0	175.895878724864	128.015229383483
"C117817"	"117-81-7"	"Di(2-ethylhexyl) phthalate"	"DSSTox_20607"	0	0	0	0	0	67.6489194234154	0	0	0	0	0	0	0	0	0	31.1252103597568	0	0
"C117840"	"117-84-0"	"Dioctyl phthalate"	"DSSTox_21956"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37.9655442941531	0	0
"C117997"	"117-99-7"	"2-Hydroxybenzophenone"	"DSSTox_47879"	0	0	0	0	0	66.4261461834307	53.851250902592	54.3757444636644	0	0	0	52.8502477287622	41.0005090928838	0	0	0	0	0
"C118134308"	"118134-30-8"	"Spiroxamine"	"DSSTox_34212"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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	33.3464202095152	0	0
"C118558"	"118-55-8"	"Phenyl salicylate"	"DSSTox_21957"	0	0	0	0	0	42.6755735274696	0	31.599858259305	0	0	0	0	0	0	0	0	0	0
"C118569"	"118-56-9"	"3,3,5-Trimethylcyclohexyl salicylate"	"DSSTox_26241"	0	0	0	61.1272484147883	0	207.518963915163	0	80.7616078246241	0	0	0	74.300645892804	39.112542869518	0	0	0	0	0
"C118581"	"118-58-1"	"Benzyl salicylate"	"DSSTox_24598"	0	0	0	24.6552142448197	0	139.986855309093	82.5478580808037	64.1093585410385	34.947916658516	0	0	36.3175266583925	35.584585847156	0	0	0	0	0
"C118718"	"118-71-8"	"Maltol"	"DSSTox_25523"	0	27.0512687100875	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C118796"	"118-79-6"	"2,4,6-Tribromophenol"	"DSSTox_21959"	0	0	0	0	0	0	0	0	0	0	0	31.0026548373223	21.1021991042167	0	0	0	113.665589879103	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	52.1541035989667	0	0	0
"C1189088"	"1189-08-8"	"1,3-Butyleneglycol dimethacrylate"	"DSSTox_44784"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27.180231021633	0	0
"C118934"	"118-93-4"	"2-Hydroxyacetophenone"	"DSSTox_40285"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C119073"	"119-07-3"	"Octyl decyl phthalate"	"DSSTox_47497"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1191500"	"1191-50-0"	"Sodium myristyl sulfate"	"DSSTox_42416"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C119168773"	"119168-77-3"	"Tebufenpyrad"	"DSSTox_34223"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32.9060579059886	62.521504291926	107.506562524092
"C1192525"	"1192-52-5"	"4,5-Dichloro-3H-1,2-dithiol-3-one"	"DSSTox_32518"	0	0	0	0	0	0	47.2061997824328	0	0	0	0	0	0	0	0	0	0	0
"C119368"	"119-36-8"	"Methyl salicylate"	"DSSTox_25659"	0	0	0	0	0	0	0	0	0	0	0	50.369199737372	0	0	0	0	0	0
"C119446683"	"119446-68-3"	"Difenoconazole"	"DSSTox_32372"	0	0	0	0	0	0	0	0	0	0	0	0	14.8123741309903	0	0	0	118.527902503269	121.133874133557
"C1194656"	"1194-65-6"	"Dichlobenil"	"DSSTox_32365"	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	39.5343445984545	15.0764191185655	141.735217042565	0	0	116.685955346455	136.267968658581
"C119515387"	"119515-38-7"	"Icaridin"	"DSSTox_34227"	0	0	0	0	0	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	0	0	0
"C119619"	"119-61-9"	"Benzophenone"	"DSSTox_21961"	0	0	37.903373809625	21.0007261972336	0	67.1333595408144	43.8964276446314	50.4160475265468	0	0	0	97.901196440014	41.7093603469565	0	96.3857976792683	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	0	0	0
"C119904"	"119-90-4"	"3,3'-Dimethoxybenzidine"	"DSSTox_25091"	0	0	0	0	0	0	0	0	0	0	0	0	16.1345855194119	0	0	0	0	0
"C119937"	"119-93-7"	"3,3'-Dimethylbenzidine"	"DSSTox_24059"	0	0	0	0	0	44.4343394056677	0	35.2589347681081	0	43.8538205976504	21.7477886422524	96.4506590983218	46.505426665847	45.7851391747076	48.9248026211221	90.2468002744977	0	0
"C120068373"	"120068-37-3"	"Fipronil"	"DSSTox_34609"	0	0	0	0	0	0	0	0	0	0	0	49.0405572423217	15.4995117412696	0	0	0	71.3781271313157	124.360150042262
"C120116883"	"120116-88-3"	"Cyazofamid"	"DSSTox_34492"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	94.2093627806618	74.9708272296199	136.452457680219
"C120127"	"120-12-7"	"Anthracene"	"DSSTox_23878"	0	0	0	0	0	0	0	0	0	0	0	37.6736363855195	0	0	72.0465936487748	0	0	0
"C120149"	"120-14-9"	"Veratraldehyde"	"DSSTox_26285"	0	0	0	0	0	0	0	0	0	0	0	76.0493554988685	85.4535411069588	0	0	88.051733681191	0	0
"C120183"	"120-18-3"	"Naphthalene-2-sulfonic acid"	"DSSTox_44788"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C120321"	"120-32-1"	"Clorophene"	"DSSTox_20154"	44.9911249007331	83.6436224620418	55.4783296382554	40.3607916674495	0	117.053066911577	28.503958801331	85.4349423451738	38.7499991186473	0	0	85.2359282430455	23.9616927668043	0	0	0	127.568052176549	0
"C120365"	"120-36-5"	"Dichlorprop"	"DSSTox_20440"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C120467"	"120-46-7"	"1,3-Diphenyl-1,3-propanedione"	"DSSTox_41247"	0	0	0	0	0	57.2637719656244	0	20.8443804338723	0	0	0	43.1243630051938	39.9520989760222	0	120.189940232984	0	42.9365474022259	0
"C120478"	"120-47-8"	"Ethylparaben"	"DSSTox_22528"	0	81.0986808273932	0	70.36213804603	69.3547327824355	158.740798158169	115.328492578424	92.3868240716434	117.744774313881	0	0	52.4059541833767	50.8857749544825	0	276.502147482077	37.9531031199575	0	0
"C120511731"	"120511-73-1"	"Anastrozole"	"DSSTox_22607"	35.0465290826259	0	94.409721670235	0	0	0	0	0	0	0	0	0	0	0	77.7770990685782	33.9976984869703	0	0
"C120514"	"120-51-4"	"Benzyl benzoate"	"DSSTox_29153"	0	0	0	28.1683483698487	0	132.709246956106	0	70.0125269243491	0	0	0	0	0	0	0	0	0	0
"C120558"	"120-55-8"	"Diethylene glycol dibenzoate"	"DSSTox_26967"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C120569"	"120-56-9"	"Triethylene glycol dibenzoate"	"DSSTox_29611"	0	0	0	0	0	0	0	0	0	0	0	103.018352579273	94.5449056714537	0	0	49.1671502056897	0	0
"C120616"	"120-61-6"	"Dimethyl terephthalate"	"DSSTox_20498"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	94.2682921388706	0	0
"C120718"	"120-71-8"	"2-Methoxy-5-methylaniline"	"DSSTox_20350"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C120729"	"120-72-9"	"Indole"	"DSSTox_20737"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C120809"	"120-80-9"	"Catechol"	"DSSTox_20257"	0	0	0	0	0	0	0	0	0	0	0	93.1719071611688	88.1822136831945	113.829106648403	0	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	0	0	0
"C120832"	"120-83-2"	"2,4-Dichlorophenol"	"DSSTox_20439"	35.2278915039309	0	0	0	0	29.7395653572233	0	42.7689317518044	0	0	0	91.171431850992	48.960962505951	0	0	0	0	0
"C120923"	"120-92-3"	"Cyclopentanone"	"DSSTox_29154"	0	0	0	0	0	0	0	0	0	0	101.614386857465	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	0	0	35.7071864243761	0	0	0	150.653826250748	0	0	0	0	0	82.328677412082
"C121006"	"121-00-6"	"2-tert-Butyl-4-methoxyphenol"	"DSSTox_40788"	0	0	0	0	0	55.2185083106584	34.8587318487917	54.7894430731918	71.1955529593673	0	0	57.6335104965263	0	0	0	63.5251468780593	0	0
"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	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C121142"	"121-14-2"	"2,4-Dinitrotoluene"	"DSSTox_20529"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C121324"	"121-32-4"	"3-Ethoxy-4-hydroxybenzaldehyde"	"DSSTox_21968"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C121335"	"121-33-5"	"4-Hydroxy-3-methoxybenzaldehyde"	"DSSTox_21969"	0	89.5231738006242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C121391"	"121-39-1"	"Ethyl 3-phenylglycidate"	"DSSTox_25886"	0	0	0	0	0	0	0	0	0	47.7014128990915	0	0	0	0	0	0	0	0
"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	0
"C121552612"	"121552-61-2"	"Cyprodinil"	"DSSTox_32359"	0	0	0	0	0	0	0	29.7325545376455	0	0	0	38.1713342995637	24.3309474736526	0	100.582783442369	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	45.4654960914435	28.9344817052615	0	0	0	0	0
"C121799"	"121-79-9"	"Propyl gallate"	"DSSTox_21201"	0	0	0	55.1307003409597	0	143.871499169057	64.974224583261	115.055210753491	34.5206687451432	0	0	108.905299397002	37.722443157113	89.4556059185247	40.5405461722575	0	0	0
"C121915"	"121-91-5"	"1,3-Benzenedicarboxylic acid"	"DSSTox_21485"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1219381"	"1219-38-1"	"Octylparaben"	"DSSTox_47957"	26.3665962986272	68.1867383586483	98.4571225499175	185.344678466087	55.6798228187137	188.056189776248	115.179062336328	81.1343853755136	67.8886681694095	33.5385923258342	51.9474900598713	69.89118141134	81.785014887426	25.1434460233618	147.314659892217	112.804234668177	84.4818620511345	0
"C122008859"	"122008-85-9"	"Cyhalofop-butyl"	"DSSTox_34503"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C122145"	"122-14-5"	"Fenitrothion"	"DSSTox_32613"	0	0	0	0	0	0	0	0	0	0	0	60.470546813066	19.5302650039514	0	0	0	70.7956863367523	0
"C122203"	"122-20-3"	"Triisopropanolamine"	"DSSTox_21415"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C122349"	"122-34-9"	"Simazine"	"DSSTox_21268"	0	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	52.933008117761	0	40.4621359208074	0	0	0	95.432210806324	34.2794850614432	0	0	0	0	0
"C122407"	"122-40-7"	"Pentylcinnamaldehyde"	"DSSTox_29157"	0	0	0	0	0	0	0	0	0	0	0	32.0637309043985	27.4433007518845	0	48.1276964027359	0	0	0
"C122429"	"122-42-9"	"Propham"	"DSSTox_20766"	0	0	44.4273281395113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C122453730"	"122453-73-0"	"Chlorfenapyr"	"DSSTox_32533"	0	0	0	0	0	117.907975056804	0	24.8322517059627	0	0	0	0	0	0	0	35.1463952437417	0	108.278300378882
"C122510"	"122-51-0"	"Ethyl orthoformate"	"DSSTox_41957"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C122576"	"122-57-6"	"Methyl styryl ketone"	"DSSTox_25662"	0	0	0	0	0	0	0	0	0	0	0	29.3221631648425	40.3386815335728	0	0	0	0	0
"C122667"	"122-66-7"	"1,2-Diphenylhydrazine"	"DSSTox_20710"	0	0	0	0	0	0	0	0	0	0	0	35.4211774615707	14.9700852767357	0	0	0	0	0
"C122781"	"122-78-1"	"Phenylacetaldehyde"	"DSSTox_21483"	0	0	0	0	0	0	0	0	0	0	0	0	29.2309221887055	0	38.4059200969709	0	0	0
"C122836355"	"122836-35-5"	"Sulfentrazone"	"DSSTox_32645"	0	0	0	0	0	0	0	0	0	0	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	0	0	32.9027974357279	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	0	0	0	0	0	0	0	0	0
"C123079"	"123-07-9"	"4-Ethylphenol"	"DSSTox_21977"	0	0	0	0	0	53.3946053489766	0	0	0	0	0	81.717617360718	17.215875606531	0	0	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	0	0	0	0
"C123122554"	"123122-55-4"	"Candoxatril"	"DSSTox_47286"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C123171"	"123-17-1"	"2,6,8-Trimethyl-4-nonanol"	"DSSTox_29159"	0	0	0	0	87.0800090884593	0	0	0	0	0	0	37.4740043280205	0	0	0	0	0	0
"C123251"	"123-25-1"	"Diethyl butanedioate"	"DSSTox_38732"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C123312890"	"123312-89-0"	"Pymetrozine"	"DSSTox_32637"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32.2863359639669	0	0	0
"C123319"	"123-31-9"	"Hydroquinone"	"DSSTox_20716"	0	0	0	0	0	0	0	0	0	0	0	72.1479426245577	105.751233526512	0	0	0	0	0
"C123331"	"123-33-1"	"Maleic hydrazide"	"DSSTox_20792"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C123343168"	"123343-16-8"	"Pyrithiobac-sodium"	"DSSTox_32673"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C123353"	"123-35-3"	"Myrcene"	"DSSTox_25692"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	51.2230085266353	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	0	0	0
"C123773"	"123-77-3"	"Azodicarbonamide"	"DSSTox_24553"	0	0	0	0	0	0	0	0	0	43.6649533104777	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	0	0	0	0	0	0	0	0	0
"C123966"	"123-96-6"	"2-Octanol"	"DSSTox_27014"	0	46.7881269761427	0	0	0	0	0	0	0	0	0	0	0	0	0	58.4445065636828	0	0
"C123999"	"123-99-9"	"Nonanedioic acid"	"DSSTox_21640"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124049"	"124-04-9"	"Hexanedioic acid"	"DSSTox_21605"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124072"	"124-07-2"	"Octanoic acid"	"DSSTox_21645"	0	0	0	0	0	27.1524053892618	29.5217152333552	47.9129334955551	32.6507035146197	0	37.4055839151759	0	0	0	0	0	0	0
"C124094"	"124-09-4"	"1,6-Hexanediamine"	"DSSTox_24922"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124130"	"124-13-0"	"Octanal"	"DSSTox_21643"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124185"	"124-18-5"	"Decane"	"DSSTox_24913"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1241947"	"1241-94-7"	"2-Ethylhexyl diphenyl phosphate"	"DSSTox_25300"	0	0	0	0	0	55.5619154627752	0	0	0	0	0	33.827777896463	30.7164336514437	0	0	0	0	0
"C124196"	"124-19-6"	"Nonanal"	"DSSTox_21639"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124221"	"124-22-1"	"1-Dodecanamine"	"DSSTox_21984"	0	0	0	0	0	0	56.8628221082284	86.9724758112046	70.6394934025692	0	84.9425371264526	0	32.1444874834382	0	33.3356914282648	104.664662026503	0	0
"C12427382"	"12427-38-2"	"Maneb"	"DSSTox_20794"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124378774"	"124378-77-4"	"Enadoline"	"DSSTox_47258"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124403"	"124-40-3"	"Dimethylamine"	"DSSTox_24057"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C124495187"	"124495-18-7"	"Quinoxyfen"	"DSSTox_34881"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73.5855789292419	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	43.4552108538068	0	0	0	0	0	0	0	0	0	105.08878045576	89.9797149232068	0	78.2093093393385	72.589746255746	0	0
"C125116236"	"125116-23-6"	"Metconazole"	"DSSTox_34497"	0	0	40.1222546466185	0	0	0	31.203015955066	76.5583895256424	82.8770900097272	0	0	45.0955923884848	21.4167714130676	0	0	26.704543786881	72.1560171821154	90.5665663610658
"C125122"	"125-12-2"	"Isobornyl acetate"	"DSSTox_42061"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C125225287"	"125225-28-7"	"Ipconazole"	"DSSTox_34674"	0	0	0	0	0	0	0	0	0	137.964972673117	0	0	15.3090590756109	0	0	0	97.6746083741366	132.979397107776
"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	0	0	0	0	0	0	0	0	0
"C126001"	"126-00-1"	"Diphenolic acid"	"DSSTox_22436"	52.8292372508447	110.055006678227	100.214156034376	29.4470243203412	26.9096274369596	140.418409892376	105.181207998715	116.664513910178	89.950476184649	102.395339701077	111.635016061648	56.0673475921568	36.6263426282153	0	77.7228251589232	145.443317394398	0	0
"C1260179"	"1260-17-9"	"Carminic acid"	"DSSTox_22817"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C126067"	"126-06-7"	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	"DSSTox_29162"	0	0	98.416055816931	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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C126147"	"126-14-7"	"Sucrose octaacetate"	"DSSTox_42423"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C126307"	"126-30-7"	"2,2-Dimethylpropane-1,3-diol"	"DSSTox_27036"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73.7476208636207	0	0	0
"C126727"	"126-72-7"	"Tris(2,3-dibromopropyl) phosphate"	"DSSTox_21413"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48.490330418493	0	127.945294804604	0
"C126738"	"126-73-8"	"Tributyl phosphate"	"DSSTox_21986"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	93.6302505863835	0	0	0
"C126833178"	"126833-17-8"	"Fenhexamid"	"DSSTox_32549"	0	0	0	47.3260247545747	0	96.6053195038886	65.0774233659869	140.182102314143	104.827104411193	63.8114308216834	79.125301459546	91.5939051653965	75.801128980212	30.9149684872456	66.557854861739	80.0630220903967	65.5108492739505	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	0	0	0	0	0	43.0910065115035	0	0
"C126921"	"126-92-1"	"Sodium ethasulfate"	"DSSTox_26033"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24.9616687357911	0	0
"C126987"	"126-98-7"	"Methacrylonitrile"	"DSSTox_24176"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C127071"	"127-07-1"	"Hydroxyurea"	"DSSTox_25438"	0	0	0	0	0	0	0	0	0	0	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	29.9691788330612	0	0
"C127253"	"127-25-3"	"Methyl abietate"	"DSSTox_48190"	0	0	0	42.3291657423054	0	0	0	0	0	0	0	48.301049724287	17.4971840391989	0	0	0	0	0
"C127308821"	"127308-82-1"	"Zamifenacin"	"DSSTox_47257"	0	0	56.6039957280744	0	0	37.0132829439468	28.5522294067401	20.0426153556894	0	0	0	51.2579537221007	48.6487156298545	0	0	0	0	0
"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	0	0	0	0	0	0	0	0	47.1554996274735	23.7338130397649	0	0	0	0	0
"C127479"	"127-47-9"	"Retinol acetate"	"DSSTox_21240"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C127515"	"127-51-5"	"alpha-Isomethylionone"	"DSSTox_27047"	0	0	0	0	0	0	0	0	0	38.4802431540075	0	118.790869044058	69.2199540189955	0	0	0	0	0
"C128041"	"128-04-1"	"Sodium dimethyldithiocarbamate"	"DSSTox_27050"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C128370"	"128-37-0"	"Butylated hydroxytoluene"	"DSSTox_20216"	0	0	0	0	0	0	0	0	0	0	0	38.3891837007635	0	0	0	0	0	0
"C128392"	"128-39-2"	"2,6-Di-tert-butylphenol"	"DSSTox_27052"	0	0	0	0	0	0	0	0	0	0	0	43.6000484670887	0	0	0	0	0	0
"C128639021"	"128639-02-1"	"Carfentrazone-ethyl"	"DSSTox_32532"	0	0	0	0	0	0	0	0	0	0	0	0	20.4298903785496	0	0	0	0	0
"C128950"	"128-95-0"	"1,4-Diaminoanthraquinone"	"DSSTox_41252"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C129000"	"129-00-0"	"Pyrene"	"DSSTox_24289"	0	0	0	0	0	27.7289760105409	27.2039600328411	0	25.5884034766916	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	0	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	32.8562670975335	0	99.7520061444689
"C129453618"	"129453-61-8"	"Fulvestrant"	"DSSTox_22369"	27.6097765231203	87.4730145747979	100.552588617572	254.67073041309	401.478821800839	264.980051319834	525.432767199456	128.955656364275	206.301842797303	107.91917631257	99.4095315104071	0	0	0	0	55.2692898703204	113.075601374866	100.447299115283
"C129630199"	"129630-19-9"	"Pyraflufen-ethyl"	"DSSTox_34871"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1300727"	"1300-72-7"	"Sodium xylenesulfonate"	"DSSTox_26302"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1300738"	"1300-73-8"	"Dimethylaniline"	"DSSTox_27377"	0	0	0	0	0	0	0	0	0	0	0	0	31.5393259966573	0	0	0	0	0
"C130143"	"130-14-3"	"Sodium 1-naphthalenesulfonate"	"DSSTox_42394"	0	0	0	0	0	0	0	0	0	0	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	0	48.7351240059144	44.5965189021622	0	0
"C13071799"	"13071-79-9"	"Terbufos"	"DSSTox_22254"	0	0	0	0	0	75.6946804800333	0	40.5397039492266	0	31.2199659528769	0	59.9281121511522	33.672303568009	0	71.862082298936	0	0	0
"C131113"	"131-11-3"	"Dimethyl phthalate"	"DSSTox_22455"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C131179"	"131-17-9"	"Diallyl phthalate"	"DSSTox_20392"	0	36.9414148960226	0	34.9538948525892	0	64.0124485881063	33.7305819394053	32.9836623085956	0	46.4111496534261	0	44.0087718572033	15.5191679543254	0	0	0	0	0
"C131180"	"131-18-0"	"Dipentyl phthalate"	"DSSTox_31131"	0	0	0	65.2806953870519	0	104.581988758786	57.3354645660275	51.830591503325	0	60.4608917038437	43.1021198404747	0	0	0	0	0	0	0
"C131341861"	"131341-86-1"	"Fludioxonil"	"DSSTox_32398"	0	0	0	0	0	60.131815583261	26.1478538253535	73.6028661032048	25.8702169822005	0	0	113.744237815243	71.847680257886	25.7670128827428	0	0	40.4178978374905	93.3218868035751
"C131555"	"131-55-5"	"2,2',4,4'-Tetrahydroxybenzophenone"	"DSSTox_41306"	102.765503153793	98.4617110518723	75.0885808442181	102.602205429037	115.9316261353	120.722954013148	156.92666743471	122.522420169254	147.072960165626	104.928330579236	86.4491890599649	98.2084386760385	104.958556957579	88.99268098611	123.835791110812	116.826056789915	0	0
"C131566"	"131-56-6"	"2,4-Dihydroxybenzophenone"	"DSSTox_22406"	76.2911291121317	78.1020937593361	49.5928282901524	185.293597544155	227.797722865278	229.062713887172	296.992320444869	111.126221640632	144.640968688565	101.167529077044	110.620241776757	78.507235554721	78.947488179066	61.2548058126632	127.019329568516	197.161966301439	0	0
"C131577"	"131-57-7"	"2-Hydroxy-4-methoxybenzophenone"	"DSSTox_22405"	0	0	0	31.2730378941525	0	108.494186065403	32.4330315748468	87.8125782382043	0	0	0	51.3456951009942	45.0927003380555	0	98.3784505905441	27.1420467422131	0	0
"C131704"	"131-70-4"	"Monobutyl phthalate"	"DSSTox_40002"	0	130.713796683816	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	59.0020359154959	0	47.9563970382624	0	0	0	0	0	0	0	0	0	0
"C131807573"	"131807-57-3"	"Famoxadone"	"DSSTox_34588"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102.93709670811	130.57865718578
"C131860338"	"131860-33-8"	"Azoxystrobin"	"DSSTox_32520"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	100.184281545682	161.605570676517	133.065716794611
"C13194484"	"13194-48-4"	"Ethoprop"	"DSSTox_32611"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C131983727"	"131983-72-7"	"Triticonazole"	"DSSTox_32655"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1320076"	"1320-07-6"	"C.I. Acid Orange 24, monosodium salt"	"DSSTox_41708"	0	0	0	0	0	0	0	0	0	0	0	66.7855489520928	25.477629647262	0	0	0	0	0
"C1321740"	"1321-74-0"	"Divinylbenzene"	"DSSTox_25216"	0	0	0	0	0	0	0	0	0	0	0	0	26.3415433382947	0	0	0	0	0
"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	55.4514229376915	30.8308890558215	0	0	0	0	0
"C1323382"	"1323-38-2"	"Glyceryl monoricinoleate"	"DSSTox_42007"	0	0	0	0	0	0	0	0	0	0	0	0	12.6874285222206	0	0	0	47.6317451866575	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	0	0	0	0	0
"C132649"	"132-64-9"	"Dibenzofuran"	"DSSTox_21993"	0	0	0	0	0	0	0	0	0	0	0	39.510123776555	0	0	94.5195857584046	34.2316589124693	0	0
"C132650"	"132-65-0"	"Dibenzothiophene"	"DSSTox_47741"	0	0	0	0	0	52.0697434180314	0	0	0	0	0	48.137435584758	26.2161967385115	0	0	0	0	0
"C13292461"	"13292-46-1"	"Rifampicin"	"DSSTox_21244"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C13301616"	"13301-61-6"	"C.I. Disperse Orange 37"	"DSSTox_44538"	0	0	0	0	0	0	0	0	0	0	0	56.784001401433	0	0	0	0	0	0
"C133062"	"133-06-2"	"Captan"	"DSSTox_20243"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104.935203935508	142.892987062012
"C133073"	"133-07-3"	"Folpet"	"DSSTox_21385"	0	0	0	0	0	0	0	0	0	0	0	37.2015451654275	0	0	0	0	107.647081974839	136.30524047868
"C1330785"	"1330-78-5"	"Tricresyl phosphate"	"DSSTox_21391"	0	0	0	0	0	0	0	0	0	0	0	0	31.5141761345787	0	0	0	0	0
"C1330865"	"1330-86-5"	"Diisooctyl adipate"	"DSSTox_27388"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C13311847"	"13311-84-7"	"Flutamide"	"DSSTox_32004"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51.1974966555347	0	116.767162297824
"C1333397"	"1333-39-7"	"Phenolsulfonic acid"	"DSSTox_27390"	0	0	0	0	0	0	0	0	0	0	43.0195968619098	0	0	0	0	0	0	0
"C1335462"	"1335-46-2"	"Ionone, methyl-"	"DSSTox_29214"	0	0	0	0	0	0	0	0	0	0	0	50.1647016966827	31.915496103882	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	0	0
"C133855988"	"133855-98-8"	"Epoxiconazole"	"DSSTox_40372"	0	0	0	59.5417173338233	91.6635328517055	130.455356295092	159.716160412069	56.2839394385651	39.0406613012212	0	0	0	0	0	0	0	37.3779543440586	57.0749847514469
"C133904"	"133-90-4"	"Chloramben"	"DSSTox_20262"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C134002601"	"134002-60-1"	"CP-085958"	"DSSTox_47297"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	51.0749386792861	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	85.7569190741513	0	0	0	0	33.9217300481221	0	0	0	0	0	0	51.0569483809167	0	24.8640207356707	0	0
"C134523038"	"134523-03-8"	"Atorvastatin calcium"	"DSSTox_44303"	0	0	0	0	0	0	0	0	0	0	0	32.8865548086615	0	0	0	0	41.490276734481	0
"C134605644"	"134605-64-4"	"Butafenacil"	"DSSTox_34365"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52.72146062061
"C134623"	"134-62-3"	"DEET"	"DSSTox_21995"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26.721631067888	0	0	0
"C13463417"	"13463-41-7"	"Zinc pyrithione"	"DSSTox_26314"	0	0	0	0	57.2012039920118	0	61.1351559102856	0	34.5236119916328	172.312499923525	119.091987379535	0	0	55.5520654236351	0	0	110.681596358165	109.523607605759
"C135080034"	"135080-03-4"	"CP-100829"	"DSSTox_47304"	51.340711842102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	99.8875224870545	0
"C135158542"	"135158-54-2"	"Acibenzolar-S-methyl"	"DSSTox_32519"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C135193"	"135-19-3"	"2-Naphthalenol"	"DSSTox_27061"	60.6694364888946	121.32559305908	31.7010186558394	113.76419547863	387.221737126758	155.139987246727	280.220510507484	105.067409678084	146.284365403182	0	0	76.7701949862425	76.8736299378638	58.6106581320782	0	0	0	0
"C135206"	"135-20-6"	"Cupferron"	"DSSTox_20352"	0	0	0	0	0	0	0	0	0	0	0	64.1942097744257	47.2718766281645	0	149.384838390717	26.5857722864174	0	0
"C135410207"	"135410-20-7"	"Acetamiprid"	"DSSTox_34300"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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	52.0173012723392	0	0	0
"C13674845"	"13674-84-5"	"Tris(2-chloroisopropyl)phosphate"	"DSSTox_26259"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	75.8451852670104	0
"C136776"	"136-77-6"	"4-Hexylresorcinol"	"DSSTox_20699"	27.207480314826	51.6365658297452	42.1438848546289	0	0	117.524271585783	123.86225706132	77.1451897595727	97.0235637574985	0	0	50.9315696365828	48.311694803521	0	71.1871611155765	0	94.9319649266071	0
"C13680358"	"13680-35-8"	"4,4'-Methylenebis(2,6-diethylaniline)"	"DSSTox_48191"	0	97.6644513044482	0	0	0	34.1339240637464	0	0	0	0	0	0	0	0	0	0	112.006422127117	53.4749232864847
"C13684565"	"13684-56-5"	"Desmedipham"	"DSSTox_34518"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	120.369357389315	0	0	0
"C13684634"	"13684-63-4"	"Phenmedipham"	"DSSTox_24255"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24.9749882922386	0	0	0
"C137268"	"137-26-8"	"Thiram"	"DSSTox_21332"	0	0	0	0	0	0	0	0	0	53.9127287456573	0	0	0	0	0	103.048911698987	0	0
"C137304"	"137-30-4"	"Ziram"	"DSSTox_21464"	0	0	0	0	0	0	0	0	0	94.0138340167243	0	0	0	55.1073860731175	0	0	160.031886837953	110.285434114175
"C137428"	"137-42-8"	"Metam-sodium"	"DSSTox_29167"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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	0	0
"C138227"	"138-22-7"	"Butyl lactate"	"DSSTox_42196"	0	0	0	0	0	0	0	0	0	85.1794110493912	0	0	0	0	0	0	0	0
"C138261413"	"138261-41-3"	"Imidacloprid"	"DSSTox_32442"	0	0	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	57.0952885072581	57.935156267955	139.360763962693	208.243354315178	102.091742701031	117.472465570843	0	0	76.4791949198403	66.7582742594877	25.6088887356934	130.337822298228	0	0	0
"C138863"	"138-86-3"	"Limonene"	"DSSTox_29612"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C139026"	"139-02-6"	"Sodium phenolate"	"DSSTox_27072"	0	0	0	0	0	0	0	0	0	0	69.6831245296038	0	0	0	0	34.9215065851463	0	0
"C139139"	"139-13-9"	"Nitrilotriacetic acid"	"DSSTox_20939"	0	0	0	0	82.6071684080775	0	0	0	0	0	0	35.7551420694813	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	0	0	0	0	0
"C139290656"	"139290-65-6"	"Volinanserin"	"DSSTox_47363"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C139340560"	"139340-56-0"	"Darbufelone mesylate"	"DSSTox_47246"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	105.072152896985	132.187441142779
"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	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0
"C139968"	"139-96-8"	"Dodecyl sulfate triethanolamine"	"DSSTox_27076"	0	0	0	0	0	0	0	0	0	71.1677574361897	0	0	0	0	0	41.7311057234976	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	23.131701220299	0	47.7472252929237	0	72.6310572513622	0	95.8405669386279	69.9699903236875	68.9625245809543	0	0	67.8186371919356	0	0
"C140114"	"140-11-4"	"Benzyl acetate"	"DSSTox_20151"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25.288698883657	0	0
"C1401554"	"1401-55-4"	"Tannic acid"	"DSSTox_26076"	0	0	0	0	0	46.8526583229729	0	0	0	0	0	0	0	0	0	0	0	0
"C140318"	"140-31-8"	"1-(2-Aminoethyl)piperazine"	"DSSTox_21997"	0	0	0	0	0	0	0	0	0	0	0	0	18.3901645311373	0	0	127.230660103001	0	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	0	0	0	0	0	0	0	0	0
"C140647"	"140-64-7"	"Pentamidine isethionate"	"DSSTox_23796"	0	0	37.3753228210661	0	0	0	0	0	0	0	0	30.489211520017	45.4873099904403	0	0	45.6503494847471	69.6979625163336	85.3723632069136
"C140669"	"140-66-9"	"4-(1,1,3,3-Tetramethylbutyl)phenol"	"DSSTox_22360"	76.0404897388041	80.6207008064661	65.4168392172261	112.420747373357	106.527066527259	209.400242665488	159.281849405079	94.2454819684903	88.7148600465359	108.400370230244	95.7102244043956	106.406507899025	79.821749225057	71.6750093218545	94.2298081610989	101.747219811078	36.1030958721831	118.52456871174
"C140670"	"140-67-0"	"Estragole"	"DSSTox_20575"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52.8550420184692	0	0	0
"C140954"	"140-95-4"	"Dimethylolurea"	"DSSTox_25141"	0	0	0	0	0	0	0	0	0	0	0	0	48.5534899375313	0	0	0	0	0
"C141048"	"141-04-8"	"Diisobutyl adipate"	"DSSTox_36690"	0	0	0	0	0	0	0	0	0	0	0	0	27.7507423105742	0	0	0	0	0
"C141112290"	"141112-29-0"	"Isoxaflutole"	"DSSTox_34723"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C141220"	"141-22-0"	"9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-"	"DSSTox_41567"	0	0	52.4094348772226	0	0	0	25.9250136253495	0	0	0	0	0	0	0	0	0	80.0217503338502	0
"C141322"	"141-32-2"	"Butyl acrylate"	"DSSTox_24676"	0	0	0	0	0	0	0	0	0	0	0	0	16.7226542148148	0	0	0	0	0
"C141435"	"141-43-5"	"Ethanolamine"	"DSSTox_22000"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C141517217"	"141517-21-7"	"Trifloxystrobin"	"DSSTox_32580"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	81.3355521407772	69.8826607136613	109.269831760744
"C141662"	"141-66-2"	"Dicrotophos"	"DSSTox_23914"	0	0	0	0	0	0	0	0	0	0	0	0	67.029342074399	0	0	0	0	0
"C141797"	"141-79-7"	"4-Methylpent-3-en-2-one"	"DSSTox_29170"	0	0	0	0	58.0102216980262	0	111.300353516631	69.9197233784466	83.4901809419974	95.3931433262812	97.2478584039143	0	0	0	0	71.7356260628301	0	0
"C142041"	"142-04-1"	"Aniline hydrochloride"	"DSSTox_20091"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C142165"	"142-16-5"	"Bis(2-ethylhexyl) maleate"	"DSSTox_27094"	0	0	0	0	0	0	0	0	0	0	0	0	29.0648149758825	0	0	0	0	0
"C142187"	"142-18-7"	"1-Monolaurin"	"DSSTox_41275"	0	0	43.3540251149717	0	0	0	0	0	0	0	0	0	0	0	0	0	53.2529121700792	0
"C142314"	"142-31-4"	"Sodium octyl sulfate"	"DSSTox_36226"	0	0	0	0	0	0	0	0	0	0	0	49.8694858316295	100.075686748817	0	0	0	0	0
"C14233375"	"14233-37-5"	"1,4-Bis(N-isopropylamino)anthraquinone"	"DSSTox_41250"	0	0	0	0	0	0	0	0	87.8952761466779	0	0	0	0	0	0	0	0	0
"C142459583"	"142459-58-3"	"Flufenacet"	"DSSTox_32552"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C142621"	"142-62-1"	"Hexanoic acid"	"DSSTox_21607"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C142870"	"142-87-0"	"Sodium decyl sulfate"	"DSSTox_36229"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C143077"	"143-07-7"	"Dodecanoic acid"	"DSSTox_21590"	0	0	60.3641906869664	0	0	0	0	0	0	0	0	0	0	0	0	0	48.8977909715801	0
"C143088"	"143-08-8"	"1-Nonanol"	"DSSTox_22008"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0
"C143390890"	"143390-89-0"	"Kresoxim-methyl"	"DSSTox_32558"	0	28.0765364942006	36.5189033359762	73.937512105078	72.9919897717652	51.5360174995019	112.597689800342	40.832009335403	60.4983682656313	44.1273975651764	21.3781150140508	41.4211497549905	27.4705114214575	0	0	37.1930421466436	85.7604222786265	0
"C1434544"	"1434-54-4"	"Pregnenolone carbonitrile"	"DSSTox_37262"	28.2475932606339	0	76.9670152096554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C143500"	"143-50-0"	"Kepone"	"DSSTox_20770"	0	84.0734238234583	76.7815945978306	0	0	0	83.2604372484014	0	0	85.0075979500419	86.369265866588	78.379157840325	50.9315882091	50.0355637246647	54.7295162540538	0	96.0959296273206	109.888112495938
"C14351667"	"14351-66-7"	"Sodium abietate"	"DSSTox_42399"	0	0	0	0	94.2816523647874	0	0	0	0	0	0	53.8415398566985	0	0	0	0	118.173518461772	0
"C14371109"	"14371-10-9"	"(2E)-3-Phenylprop-2-enal"	"DSSTox_24834"	0	0	0	0	0	0	0	0	0	0	0	53.397354827572	27.0656942295925	0	116.522394553498	0	0	0
"C143748"	"143-74-8"	"Phenol red"	"DSSTox_22408"	38.1429203656279	54.2210493867131	97.6713918219282	0	0	0	0	0	0	0	0	53.5510457416815	39.171568780939	0	47.7575465557117	31.3602202020799	0	0
"C144490"	"144-49-0"	"Fluoroacetic acid"	"DSSTox_41981"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"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	0	0	0
"C144627"	"144-62-7"	"Oxalic acid"	"DSSTox_25816"	0	0	0	0	42.8438040745726	0	72.2027001261326	0	69.8881537940978	0	106.689869367893	0	0	0	0	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	17.5423098550354	0	0	0	0	0
"C145742285"	"145742-28-5"	"CP-122721"	"DSSTox_47251"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	107.935757600371
"C1459934"	"1459-93-4"	"Dimethyl isophthalate"	"DSSTox_27402"	0	0	0	0	0	0	0	0	0	0	0	0	23.0986819138514	0	0	0	0	0
"C1461229"	"1461-22-9"	"Tributyltin chloride"	"DSSTox_27403"	0	0	32.6230645663956	0	0	0	0	0	0	66.1712392358591	0	0	0	52.3410295002425	0	0	72.1907758115744	113.626683540128
"C1461252"	"1461-25-2"	"Tetrabutyltin"	"DSSTox_22153"	0	0	0	0	0	0	0	0	0	35.5292375858936	0	0	18.3321528188582	0	0	0	58.169835709521	135.60793943075
"C147240"	"147-24-0"	"Diphenhydramine hydrochloride"	"DSSTox_20537"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	45.6771815475142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C147819"	"147-81-9"	"Arabinose"	"DSSTox_41610"	87.8665428504027	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"	103.153041305465	101.649292360427	96.9248485268522	180.409898209638	221.67291575072	223.879218088852	319.809621228937	127.520307672087	171.953517788015	107.432924879018	96.9473318020596	102.553119225212	60.7897911885153	30.285956575779	90.6497826400538	143.424804093928	153.777483224412	0
"C14816183"	"14816-18-3"	"Phoxim"	"DSSTox_34324"	0	0	0	101.502451917554	87.2592314995888	145.323372027591	168.160328832061	41.2272004490712	65.0320039182586	40.9060363068501	29.5826843680732	88.948266888517	56.937399575033	0	59.5179411131483	63.8653121023808	0	0
"C148243"	"148-24-3"	"8-Hydroxyquinoline"	"DSSTox_20730"	0	0	0	0	0	0	0	0	0	0	0	0	16.9179591456816	0	0	0	0	0
"C148477718"	"148477-71-8"	"Spirodiclofen"	"DSSTox_34928"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32.6899961118675	0	0	0
"C148798"	"148-79-8"	"Thiabendazole"	"DSSTox_21337"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36.3672861744252	0	0	0
"C1490046"	"1490-04-6"	"Menthol"	"DSSTox_29650"	33.9471632945533	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	35.4264404904238	0	0	0	0	0	0
"C149062759"	"149062-75-9"	"PharmaGSID_47259"	"DSSTox_47259"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	163.112340811765	0	0	0
"C149304"	"149-30-4"	"2-Mercaptobenzothiazole"	"DSSTox_20807"	0	0	0	0	0	0	0	0	0	0	0	40.7895778730025	39.6862516762125	0	0	0	0	0
"C149575"	"149-57-5"	"2-Ethylhexanoic acid"	"DSSTox_25293"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C149877418"	"149877-41-8"	"Bifenazate"	"DSSTox_32525"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102.49423688082	88.7153015256211
"C149979419"	"149979-41-9"	"Tepraloxydim"	"DSSTox_34252"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	38.7516643916985	0	0
"C15046750"	"15046-75-0"	"Sodium 2-methylbenzenesulfonate"	"DSSTox_44553"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26.6412949399355	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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27.3507294207736	0	0
"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	0	0	0
"C151213"	"151-21-3"	"Sodium dodecyl sulfate"	"DSSTox_26031"	0	0	0	0	0	0	0	0	0	0	0	38.147892425125	0	0	0	0	0	0
"C15214898"	"15214-89-8"	"2-Acrylamido-2-methyl-1-propanesulfonic acid"	"DSSTox_27770"	0	0	0	0	0	0	0	0	0	0	0	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	115.041757784602	36.5570289597688	0	0	0	0	68.8533111075737
"C15307796"	"15307-79-6"	"Diclofenac sodium"	"DSSTox_37208"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50.7309230793292	89.5700800568765	0
"C15310017"	"15310-01-7"	"Benodanil"	"DSSTox_41623"	0	0	0	0	0	0	0	0	0	0	0	0	29.716660537655	0	0	0	0	0
"C153233911"	"153233-91-1"	"Etoxazole"	"DSSTox_34586"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72.9673180224857	0
"C153719234"	"153719-23-4"	"Thiamethoxam"	"DSSTox_34962"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1541817"	"1541-81-7"	"4-Dodecylmorpholine"	"DSSTox_42171"	0	0	0	0	0	0	0	0	0	0	0	0	0	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	27.3003190588012	0	0	0	63.0104359591459	0
"C15499271"	"15499-27-1"	"4-Butylchlorobenzene"	"DSSTox_48192"	0	0	0	0	0	0	0	0	0	0	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	108.723620837279	0	0	79.0541520508796	108.655198621955
"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	0	0	0	0
"C1559359"	"1559-35-9"	"2-(2-Ethylhexyloxy)ethanol"	"DSSTox_41920"	0	0	0	0	0	0	0	0	0	0	0	107.560664630427	118.451837570541	0	0	25.3271324756769	0	0
"C155990208"	"155990-20-8"	"SR271425"	"DSSTox_47347"	0	0	34.0619822397084	0	0	0	0	0	0	0	0	75.9019996438193	16.8922738990035	40.5808564520461	53.6270768240007	0	0	0
"C156052685"	"156052-68-5"	"Zoxamide"	"DSSTox_32581"	0	0	0	0	0	0	0	0	0	190.592893582549	107.979455846413	0	0	0	0	0	59.1111561925958	0
"C156105"	"156-10-5"	"4-Nitrosodiphenylamine"	"DSSTox_21031"	0	0	132.120677716194	0	0	0	0	0	0	64.6813101966875	34.718990727643	47.785049501382	0	0	0	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	0	0	0	0
"C1563662"	"1563-66-2"	"Carbofuran"	"DSSTox_20249"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51.731974890085	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	0	0	0	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	0	0	0	0	0	0	0	0	0
"C1569024"	"1569-02-4"	"1-Ethoxy-2-propanol"	"DSSTox_41267"	0	0	63.3929414938281	0	0	0	0	0	0	0	0	0	20.5243335569146	0	0	0	0	0
"C1570645"	"1570-64-5"	"4-Chloro-2-methylphenol"	"DSSTox_22510"	0	0	0	0	0	69.9691388329444	34.8099270588097	66.9416637850175	45.2457454980995	0	0	72.0486690538838	35.6522301117813	0	0	0	0	0
"C15708415"	"15708-41-5"	"Ethylenediaminetetraacetic acid ferric sodium salt"	"DSSTox_27774"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C158081993"	"158081-99-3"	"CP-105696"	"DSSTox_47308"	0	0	58.9102091550438	0	0	0	0	0	0	0	0	0	0	0	0	0	76.7786484035016	0
"C1582098"	"1582-09-8"	"Trifluralin"	"DSSTox_21395"	0	0	0	0	0	0	0	0	0	0	0	47.179733571662	0	0	43.1886056988233	110.176106890355	0	0
"C159138815"	"159138-81-5"	"Cariporide mesylate"	"DSSTox_47344"	0	0	0	0	0	38.1582731372096	0	0	0	0	0	63.253178948172	49.8267583658147	0	54.3554299407099	0	0	0
"C1596845"	"1596-84-5"	"Daminozide"	"DSSTox_20370"	0	0	0	0	0	0	28.9607929381228	42.1083891506847	30.997783671729	0	89.179470033784	0	0	0	91.5417443684516	0	0	0
"C15972608"	"15972-60-8"	"Alachlor"	"DSSTox_22265"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	76.1686459099486	0
"C16079882"	"16079-88-2"	"Bromo-3-chloro-5,5-dimethylhydantoin"	"DSSTox_32591"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55.2455598962904	0	0
"C1610180"	"1610-18-0"	"Prometon"	"DSSTox_22341"	0	0	0	0	0	0	0	0	0	0	0	40.8199038667633	89.4347759758455	0	0	0	0	0
"C161050584"	"161050-58-4"	"Methoxyfenozide"	"DSSTox_32628"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C161326347"	"161326-34-7"	"Fenamidone"	"DSSTox_34590"	0	0	0	0	0	0	0	0	0	0	0	58.7858212912313	17.1793839815152	0	0	50.0981728993178	61.7471037787325	107.33616553567
"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	0	0	0	0	0	0	0	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	0	0	36.760612874343	0	0	0
"C1632731"	"1632-73-1"	"Fenchol"	"DSSTox_41970"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1634782"	"1634-78-2"	"Malaoxon"	"DSSTox_20790"	0	0	0	0	0	0	0	0	0	0	0	0	25.0929715551795	0	0	0	0	0
"C163520330"	"163520-33-0"	"Isoxadifen-ethyl"	"DSSTox_40360"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1638228"	"1638-22-8"	"4-Butylphenol"	"DSSTox_47425"	0	0	0	106.357698524463	58.7063340637249	186.875177675566	242.880443100949	135.227065104464	153.691381493363	29.2597952234196	0	69.6504988104887	77.3140411095083	0	58.9071830578036	45.9952675195957	0	0
"C16423680"	"16423-68-0"	"FD&C Red 3"	"DSSTox_21233"	0	0	0	0	0	0	0	0	0	0	0	0	16.1423984817871	0	0	0	0	0
"C1646759"	"1646-75-9"	"Aldicarb oxime"	"DSSTox_24431"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96.9898853673276	0	0	0
"C1646873"	"1646-87-3"	"Aldicarb sulfoxide"	"DSSTox_33161"	0	0	0	0	0	0	0	0	0	0	0	0	30.2985963274312	0	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	0	0	0	0	0	0	0	0	0
"C16587716"	"16587-71-6"	"4-(tert-Pentyl)-cyclohexanone"	"DSSTox_47127"	109.281372897325	91.8259813693187	0	0	0	0	0	0	0	0	0	69.2383924225933	28.8021377498857	0	0	0	0	0
"C166412788"	"166412-78-8"	"Diisononyl cyclohexane-1,2-dicarboxylate"	"DSSTox_47395"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C16672870"	"16672-87-0"	"Ethephon"	"DSSTox_24085"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1671756"	"1671-75-6"	"Heptanophenone"	"DSSTox_48194"	0	0	0	0	0	0	0	0	0	0	0	33.6985098810893	14.0631588916975	0	104.786229929232	0	0	0
"C16752775"	"16752-77-5"	"Methomyl"	"DSSTox_22267"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1675543"	"1675-54-3"	"Bisphenol A diglycidyl ether"	"DSSTox_24624"	0	29.5567745030261	0	0	0	0	0	0	0	0	0	0	0	0	0	25.9998119667295	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	0	0
"C1689845"	"1689-84-5"	"Bromoxynil"	"DSSTox_22162"	0	0	0	0	0	0	0	0	0	0	0	0	19.1405467043509	0	0	24.7607748425644	0	48.4025944136529
"C169590425"	"169590-42-5"	"Celecoxib"	"DSSTox_22777"	0	0	0	0	0	0	117.352112651506	60.0648969757782	80.8244508534759	0	0	0	0	0	0	0	85.8102857475694	0
"C1698608"	"1698-60-8"	"Chloridazon"	"DSSTox_34872"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1702176"	"1702-17-6"	"Clopyralid"	"DSSTox_29221"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47.6241866513897	0	0	0
"C171866312"	"171866-31-2"	"CP-283097"	"DSSTox_47264"	0	0	0	0	0	0	0	0	0	0	0	37.8910321749453	0	0	49.13274894667	0	0	0
"C1724396"	"1724-39-6"	"Cyclododecanol"	"DSSTox_27429"	0	0	0	0	0	53.6060678491189	0	91.8004399721945	32.3059214468327	0	0	54.787252699641	23.1449315769305	0	0	0	0	0
"C173584446"	"173584-44-6"	"Indoxacarb"	"DSSTox_32690"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44.355787032455	0
"C17372871"	"17372-87-1"	"Eosin"	"DSSTox_25234"	39.1098368419661	0	0	1384.8515388616	0	2822.05602577987	0	0	0	0	0	0	0	0	0	0	116.840860488108	0
"C1742149"	"1742-14-9"	"1,1-Bis(3,4-dimethylphenyl)ethane"	"DSSTox_29223"	0	0	0	0	0	0	0	0	0	0	0	0	17.962840453519	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	0	0
"C175013180"	"175013-18-0"	"Pyraclostrobin"	"DSSTox_32638"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82.0276623135304	104.133787071495	109.794442374454
"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	0	48.3977622958416	0	0
"C1762954"	"1762-95-4"	"Thiocyanic acid, ammonium salt"	"DSSTox_29653"	0	0	0	0	0	0	0	0	37.4198949193016	0	0	0	0	0	0	0	0	0
"C1763231"	"1763-23-1"	"PFOS"	"DSSTox_31864"	0	30.3734041260727	0	0	0	36.3136645433513	0	0	0	0	0	35.974860807667	17.6678342950879	0	0	0	112.273936310006	0
"C17696627"	"17696-62-7"	"Phenylparaben"	"DSSTox_47882"	0	77.6142818492763	74.4394537957735	225.615439276185	176.049372044765	209.812881963579	274.9246539437	162.435561653708	168.076806783945	96.8399119121936	76.092444192856	43.9703762564163	33.5575950527583	56.4480062944026	164.965951576776	122.963870909091	0	0
"C177785476"	"177785-47-6"	"PharmaGSID_47261"	"DSSTox_47261"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C17796826"	"17796-82-6"	"N-(Cyclohexylthio)phthalimide"	"DSSTox_27793"	0	0	0	0	0	0	0	0	0	25.9605338794606	0	52.7048422403935	20.339516690944	0	0	0	80.6537821683594	0
"C17804352"	"17804-35-2"	"Benomyl"	"DSSTox_23900"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102.997312120204	0	0	0
"C17924924"	"17924-92-4"	"Zearalenone"	"DSSTox_21460"	98.8356803983989	102.96962229502	0	140.127109051353	180.313975564496	181.903779456998	192.755490323741	84.3542476028454	85.4847708956065	102.669312809568	98.7907026301008	117.782416175697	95.6292799317808	64.1858391426858	74.4156998789413	130.153394462614	79.1616382326429	71.7393747226692
"C179465715"	"179465-71-5"	"CJ-013790"	"DSSTox_47303"	0	0	0	0	0	0	0	35.8279074196546	0	0	0	52.9660423908432	0	0	41.0215275630006	0	0	76.0173001280789
"C180084019"	"180084-01-9"	"SB236057A"	"DSSTox_47320"	0	0	31.179790235937	0	0	0	0	0	0	73.1034477756194	38.0222837410939	0	0	0	0	0	168.076790610925	135.408768376611
"C1806264"	"1806-26-4"	"4-Octylphenol"	"DSSTox_22312"	0	0	0	68.7904359989598	70.1796120640775	115.367775908961	150.21700559258	86.2045512214608	55.6267421841465	0	0	77.2553134081883	36.0639917386985	0	123.140155284693	47.0011421589585	0	0
"C181274157"	"181274-15-7"	"Propoxycarbazone-sodium"	"DSSTox_34864"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30.6553882241282	0	0
"C181274179"	"181274-17-9"	"Flucarbazone-sodium"	"DSSTox_34614"	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0
"C18172673"	"18172-67-3"	"(-)-beta-Pinene"	"DSSTox_41184"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1825214"	"1825-21-4"	"Pentachloroanisole"	"DSSTox_21103"	0	0	0	43.1442602410105	36.9472716412357	66.8725315026255	93.9154481846717	68.8299610224298	0	0	0	0	0	0	0	0	0	0
"C1836755"	"1836-75-5"	"Nitrofen"	"DSSTox_20970"	0	0	0	0	0	0	0	0	0	0	0	29.6393285954985	16.948646061295	0	0	0	0	0
"C1843056"	"1843-05-6"	"Octabenzone"	"DSSTox_27441"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C184653847"	"184653-84-7"	"Carabersat"	"DSSTox_47319"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1861321"	"1861-32-1"	"Chlorthal-dimethyl"	"DSSTox_24000"	0	0	0	0	0	33.8694064354107	34.3167814391842	30.8679120279179	0	0	0	0	0	0	0	0	0	0
"C1861401"	"1861-40-1"	"Benfluralin"	"DSSTox_23899"	0	0	0	0	0	42.9803461024571	0	0	0	88.8603609417343	59.4150417827206	58.3432943457818	17.2000919001448	0	0	0	0	0
"C186392654"	"186392-65-4"	"Ingliforib"	"DSSTox_47252"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59.2826015101358	0
"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	0	0	0	0	0	0	0
"C188425856"	"188425-85-6"	"Boscalid"	"DSSTox_34392"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C188489078"	"188489-07-8"	"Flufenpyr-ethyl"	"DSSTox_34618"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C189003927"	"189003-92-7"	"Trelanserin"	"DSSTox_47355"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C18924668"	"18924-66-8"	"2,2'-(Tetradecylimino)diethanol"	"DSSTox_44865"	52.7798602585646	0	54.00673281499	0	0	0	0	0	0	93.5132042474244	140.700188499041	0	0	0	0	36.713923601619	124.393979687077	110.361611176678
"C1897456"	"1897-45-6"	"Chlorothalonil"	"DSSTox_20319"	0	0	0	0	0	0	0	0	0	0	0	0	0	61.6416308259921	0	0	103.062185478633	101.825194216716
"C18979550"	"18979-55-0"	"4-(Hexyloxy)phenol"	"DSSTox_48195"	0	47.1768263951387	75.8181140446477	43.6837940888955	0	225.325443785678	0	171.392722653836	0	51.4285713511615	54.9293665451785	68.0150000987097	62.6258511604425	0	126.27021842362	0	89.2697230001134	0
"C19044883"	"19044-88-3"	"Oryzalin"	"DSSTox_24238"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	144.265194164944	0
"C1907659"	"1907-65-9"	"N-Butyl-p-toluenesulfonamide"	"DSSTox_42198"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1912249"	"1912-24-9"	"Atrazine"	"DSSTox_20112"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	49.0001253099137	0	0	0	0	0	0	0	0	0	14.0293911524745	0	0	0	120.508322008952	76.0744786921785
"C1929733"	"1929-73-3"	"2,4-D-Butotyl"	"DSSTox_32309"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70.2614078673434	31.2729215028269	0	0
"C1929777"	"1929-77-7"	"Vernolate"	"DSSTox_24376"	0	54.0555731217845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C1929824"	"1929-82-4"	"Nitrapyrin"	"DSSTox_24216"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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	0	0	0	0	0	0	0
"C1948330"	"1948-33-0"	"tert-Butylhydroquinone"	"DSSTox_20220"	0	0	0	0	0	0	0	56.221689234436	0	0	0	46.578393705164	0	0	0	0	0	0
"C19666309"	"19666-30-9"	"Oxadiazon"	"DSSTox_24239"	0	0	0	0	0	0	0	0	0	0	0	0	18.4882905718597	0	0	0	80.1546841466611	79.7216786386843
"C196808454"	"196808-45-4"	"Farglitazar"	"DSSTox_47310"	0	0	0	0	0	0	0	0	0	0	0	0	26.128277341587	0	0	0	129.694368192371	0
"C197077557"	"197077-55-7"	"UK-333747"	"DSSTox_47287"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25.7593895578703	0	0	0
"C19774824"	"19774-82-4"	"Amiodarone hydrochloride"	"DSSTox_37185"	0	0	68.4230282157576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C19780111"	"19780-11-1"	"(2-Dodecenyl)succinic anhydride"	"DSSTox_25217"	0	0	0	0	0	0	0	0	0	0	0	0	22.8582058647874	0	0	0	64.6690686382459	0
"C1987504"	"1987-50-4"	"4-Heptylphenol"	"DSSTox_37714"	0	0	0	154.678792953618	125.764912475537	197.875199186701	192.762135114262	138.645701541191	120.078324328627	0	0	54.389954837607	51.4693010507525	0	137.427378607172	39.4610298008928	0	0
"C199119589"	"199119-58-9"	"Trifloxysulfuron-sodium"	"DSSTox_40222"	0	0	0	0	0	0	0	0	0	0	0	0	13.5799066153361	0	49.0449278528524	0	0	0
"C199171885"	"199171-88-5"	"CP-401387"	"DSSTox_47253"	0	0	0	0	0	0	0	0	0	0	0	0	32.1116798342447	0	0	0	82.6821936022947	0
"C199584388"	"199584-38-8"	"1-Methoxy-4-tert-pentylcyclohexane"	"DSSTox_48187"	0	0	0	0	0	0	0	0	0	0	0	39.6077361594045	30.7781049786387	0	0	0	0	0
"C2008415"	"2008-41-5"	"Butylate"	"DSSTox_23936"	0	0	0	0	0	0	0	0	0	0	0	0	16.8225180635909	0	0	0	0	0
"C200940234"	"200940-23-4"	"SB243213A"	"DSSTox_47322"	0	0	0	0	0	0	0	0	0	0	0	0	17.5488750187288	0	0	0	0	122.755115379797
"C2016571"	"2016-57-1"	"1-Decanamine"	"DSSTox_22171"	0	0	0	0	0	0	0	0	0	0	0	0	21.5489385537731	0	0	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	0	47.1104791978627	0
"C2031676"	"2031-67-6"	"Triethoxymethylsilane"	"DSSTox_42490"	0	0	0	0	0	0	0	0	0	0	0	36.7759476322685	0	0	0	0	0	0
"C20325400"	"20325-40-0"	"3,3'-Dimethoxybenzidine dihydrochloride"	"DSSTox_20485"	0	0	0	0	0	0	0	0	0	0	0	0	39.3131255203155	0	0	41.5906920711176	75.420727668884	0
"C203942498"	"203942-49-8"	"UK-337312"	"DSSTox_47288"	0	62.8615141493681	31.8733982121571	0	0	0	0	0	0	0	0	0	0	106.792010279655	0	0	0	137.004499328315
"C2043574"	"2043-57-4"	"1H,1H,2H,2H-Perfluorooctyl iodide"	"DSSTox_47565"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2044646"	"2044-64-6"	"N,N-Dimethylacetoacetamide"	"DSSTox_27454"	0	0	33.701222085585	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	0	0	0	39.6811058683758	0	0	0	83.2902873538864	0
"C2058948"	"2058-94-8"	"Perfluoroundecanoic acid"	"DSSTox_47553"	29.1375830640018	0	87.9742048726377	0	0	0	0	0	0	0	0	45.001652539958	0	0	0	0	38.0697089709074	0
"C205992"	"205-99-2"	"Benzo(b)fluoranthene"	"DSSTox_23907"	0	0	0	0	0	0	0	0	0	36.2376213624339	0	0	22.3545368500586	103.854383264072	33.9960741152774	0	0	0
"C206440"	"206-44-0"	"Fluoranthene"	"DSSTox_24104"	0	0	0	0	0	66.0522271980774	40.102618256929	38.6705708562948	45.7565916969756	0	0	0	0	0	54.3794156847258	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	0	0
"C20780487"	"20780-48-7"	"3,7-Dimethyloctan-3-yl acetate"	"DSSTox_41487"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2078548"	"2078-54-8"	"Propofol"	"DSSTox_23523"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C20830755"	"20830-75-5"	"Digoxin"	"DSSTox_22934"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73.1173362153561
"C208968"	"208-96-8"	"Acenaphthylene"	"DSSTox_23845"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2104645"	"2104-64-5"	"EPN"	"DSSTox_22174"	0	0	27.3363815792309	30.9645737363186	0	54.3539679631283	47.5915420252461	25.1584210603618	0	54.8621704195327	35.0099741083869	42.525759320834	38.4517510191473	0	38.5051083935351	30.3331208213497	0	0
"C210631688"	"210631-68-8"	"Topramezone"	"DSSTox_34722"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C210826407"	"210826-40-7"	"CP-456773"	"DSSTox_47301"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C21087649"	"21087-64-9"	"Metribuzin"	"DSSTox_24204"	0	0	0	0	0	0	0	0	0	0	0	0	0	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	42.4332012246079	0	0
"C2110181"	"2110-18-1"	"2-(3-Phenylpropyl)pyridine"	"DSSTox_42356"	0	0	0	24.46013707249	0	0	0	0	0	0	0	35.5154765489647	19.0597447807039	0	64.6442536205062	0	0	0
"C21145777"	"21145-77-7"	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	"DSSTox_41544"	0	0	0	0	0	116.430744751525	53.6411444780436	46.2363996614741	63.9100671824823	0	0	45.7699363840055	42.943056777375	0	0	0	0	0
"C2122705"	"2122-70-5"	"Ethyl 1-naphthaleneacetate"	"DSSTox_34583"	0	0	0	0	0	63.2823331772954	0	0	0	0	0	0	0	0	0	0	0	0
"C21245023"	"21245-02-3"	"2-Ethylhexyl 4-(dimethylamino)benzoate"	"DSSTox_29320"	0	0	0	0	0	0	0	0	0	0	0	46.0587363865025	36.7181290619278	0	39.3675945633499	34.991608966208	0	0
"C2144538"	"2144-53-8"	"Tridecafluorohexylethyl methacrylate"	"DSSTox_47558"	0	0	0	0	0	0	0	0	0	24.6457227396804	0	95.1974271491032	70.6795349573685	0	0	0	0	0
"C214535770"	"214535-77-0"	"CP-457677"	"DSSTox_47278"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50.9698322940893
"C215297271"	"215297-27-1"	"UK-343664"	"DSSTox_47289"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2155706"	"2155-70-6"	"Tributyltin methacrylate"	"DSSTox_35204"	0	0	45.0589362447758	0	0	0	0	0	0	76.2985843860191	0	0	0	38.0732922228898	0	0	71.6935077243905	105.194867061547
"C21564170"	"21564-17-0"	"2-(Thiocyanomethylthio)benzothiazole"	"DSSTox_32647"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C21725462"	"21725-46-2"	"Cyanazine"	"DSSTox_23990"	0	0	0	0	0	0	0	0	0	0	0	0	16.949510700688	0	0	0	0	0
"C2176627"	"2176-62-7"	"Pentachloropyridine"	"DSSTox_22179"	0	0	0	0	0	0	0	0	0	0	54.074694603917	0	0	0	0	0	0	0
"C219714962"	"219714-96-2"	"Penoxsulam"	"DSSTox_34803"	0	0	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	0	0	0	0	0	0	0	44.5947758599843	0
"C22047490"	"22047-49-0"	"2-Ethylhexyl octadecanoate"	"DSSTox_47178"	0	0	0	0	0	0	0	0	0	0	0	40.7058308264855	66.9573456204705	0	0	24.3309953271655	0	0
"C220860504"	"220860-50-4"	"CP-457920"	"DSSTox_47254"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41.1438480996198	0	0
"C221246124"	"221246-12-4"	"Fandosentan potassium salt"	"DSSTox_47249"	0	0	0	0	0	0	0	0	0	0	0	30.0557175239717	0	0	0	0	69.1913258327933	0
"C2212671"	"2212-67-1"	"Molinate"	"DSSTox_24206"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C221671621"	"221671-62-1"	"SR146131"	"DSSTox_47369"	0	0	0	0	0	0	0	0	0	0	25.3327868252623	0	0	42.6837705368604	0	0	68.6840070950742	0
"C22224926"	"22224-92-6"	"Fenamiphos"	"DSSTox_24102"	0	0	0	0	0	0	0	0	0	0	0	0	34.6117221032238	0	0	0	0	0
"C22248799"	"22248-79-9"	"Z-Tetrachlorvinphos"	"DSSTox_32648"	0	0	0	0	0	0	0	0	0	0	0	54.2582713991988	29.5891922563835	0	0	0	107.668852008038	0
"C22260511"	"22260-51-1"	"Bromocriptine mesylate"	"DSSTox_20197"	0	0	50.6946196846464	0	0	0	0	0	0	0	0	0	0	0	0	0	83.4524674207557	0
"C2231574"	"2231-57-4"	"Thiocarbazide"	"DSSTox_27461"	0	0	40.443071780937	0	0	0	0	0	0	0	0	0	17.2282744008446	0	0	0	0	0
"C2243621"	"2243-62-1"	"1,5-Naphthalenediamine"	"DSSTox_20916"	0	0	0	0	111.813486445682	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2244215"	"2244-21-5"	"Potassium dichloroisocyanurate"	"DSSTox_26178"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C22781233"	"22781-23-3"	"Bendiocarb"	"DSSTox_32327"	0	0	0	0	0	0	0	0	0	0	0	0	35.4767804151847	0	0	0	0	0
"C22839470"	"22839-47-0"	"Aspartame"	"DSSTox_20107"	0	0	0	0	0	0	0	0	0	0	0	0	32.1711094278168	0	55.9651430847662	36.6995281439551	0	0
"C22915737"	"22915-73-7"	"Hexane-1,6-diyl dibenzoate"	"DSSTox_47539"	0	0	0	0	0	37.4484500053557	0	0	0	0	0	0	0	0	47.3997888337909	0	0	0
"C23031369"	"23031-36-9"	"Prallethrin"	"DSSTox_32572"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91.2731304953999	70.6624584336797
"C2303175"	"2303-17-5"	"Tri-allate"	"DSSTox_24344"	0	0	0	0	0	0	0	0	0	0	0	0	14.8232721028271	0	0	0	0	0
"C23089261"	"23089-26-1"	"Levomenol"	"DSSTox_42094"	0	0	0	0	0	0	0	0	0	0	0	38.1523055429832	0	0	0	0	0	0
"C230954093"	"230954-09-3"	"CP-544439"	"DSSTox_47266"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2310170"	"2310-17-0"	"Phosalone"	"DSSTox_24259"	0	0	0	0	0	0	0	0	0	0	0	77.153078650365	14.7980597859528	0	0	0	0	0
"C23103982"	"23103-98-2"	"Pirimicarb"	"DSSTox_32569"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41.1188350591634	0	0
"C2312358"	"2312-35-8"	"Propargite"	"DSSTox_24276"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90.134773720274	53.3760713764393	110.783983852675
"C23135220"	"23135-22-0"	"Oxamyl"	"DSSTox_21086"	0	0	0	0	0	0	0	0	0	0	0	0	27.3041884031785	0	0	0	0	0
"C23184669"	"23184-66-9"	"Butachlor"	"DSSTox_34402"	0	0	0	0	0	0	0	0	0	0	55.5104986593499	0	0	0	0	0	91.4617342657155	0
"C2321075"	"2321-07-5"	"Fluorescein"	"DSSTox_38887"	58.9784901040871	90.8235844879302	61.6583042145318	0	0	0	0	0	0	0	0	37.3484752807287	17.4457695285636	0	0	0	165.568676612093	0
"C23386529"	"23386-52-9"	"Dicyclohexyl sodium sulfosuccinate"	"DSSTox_27826"	0	0	0	0	0	0	0	0	0	0	0	0	107.181163228343	0	0	0	0	0
"C23422539"	"23422-53-9"	"Formetanate hydrochloride"	"DSSTox_32405"	0	0	0	0	0	0	0	0	0	0	0	0	25.1161101236365	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	41.6143412154653	28.0127055993275	0	0	0	0	97.6727548568979
"C23564058"	"23564-05-8"	"Thiophanate-methyl"	"DSSTox_24338"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C23564069"	"23564-06-9"	"Thiophanate"	"DSSTox_34531"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74.7830752232997	38.321407841648	0	0
"C23593751"	"23593-75-1"	"Clotrimazole"	"DSSTox_29871"	0	0	0	0	0	0	0	0	0	0	40.4761902459812	50.520751899193	26.6737772151735	0	0	0	70.691210982216	108.929855767207
"C23779320"	"23779-32-0"	"1-[3-(Triethoxysilyl)propyl]urea"	"DSSTox_44493"	0	0	0	0	0	0	0	0	0	0	0	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	33.0490520813091	0	0	0	0	0	0	0	0	0	0	50.022631659615	0	0	0
"C2390605"	"2390-60-5"	"Basic Blue 7"	"DSSTox_38888"	0	104.066513786989	0	0	0	0	0	0	0	0	0	0	0	54.2438600035748	0	41.0772794228759	67.6313697114106	110.392167269871
"C2392394"	"2392-39-4"	"Dexamethasone sodium phosphate"	"DSSTox_47429"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32.1280295873312	0	0
"C23950585"	"23950-58-5"	"Propyzamide"	"DSSTox_20420"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2396681"	"2396-68-1"	"4-tert-Butylbenzenethiol"	"DSSTox_48196"	98.0307605130585	69.2025605906191	95.4258110393171	0	0	0	0	0	0	0	0	0	0	0	80.2220785088104	0	0	0
"C2409554"	"2409-55-4"	"2-tert-Butyl-4-methylphenol"	"DSSTox_20212"	0	0	0	0	0	73.0806017039579	0	34.6079427380761	0	0	0	0	0	0	0	0	42.1019731924791	0
"C24157811"	"24157-81-1"	"2,6-Diisopropylnaphthalene"	"DSSTox_35272"	0	0	0	0	0	0	0	0	0	0	0	36.007456371692	0	0	0	0	0	0
"C24169026"	"24169-02-6"	"Econazole nitrate"	"DSSTox_25226"	92.1079484824193	0	0	0	0	0	0	0	0	28.5289745901519	0	0	0	115.774294548207	0	0	143.619080645454	91.8601068068806
"C2416946"	"2416-94-6"	"2,3,6-Trimethylphenol"	"DSSTox_22187"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2425061"	"2425-06-1"	"Captafol"	"DSSTox_20242"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	132.753555434949	120.002612157455
"C2425776"	"2425-77-6"	"2-Hexyl-1-decanol"	"DSSTox_41265"	0	0	0	0	33.3360606508843	0	0	0	0	79.3119178263462	0	0	0	0	0	0	0	0
"C2426086"	"2426-08-6"	"Butyl glycidyl ether"	"DSSTox_24691"	0	0	0	0	0	0	0	0	0	0	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	0	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	0	0	0
"C2433149"	"2433-14-9"	"4-Cyclohexylcyclohexanol"	"DSSTox_40722"	0	0	0	24.3608274867342	0	79.9996811032091	63.2745591480838	86.8498219595125	50.1022764371563	0	0	44.2865905246647	31.2833543810838	0	0	0	0	0
"C2440224"	"2440-22-4"	"2-(2H-Benzotriazol-2-yl)-4-methylphenol"	"DSSTox_27479"	0	0	83.9237274495593	0	0	0	0	0	0	0	0	57.1090651260122	48.8717694497563	0	95.9386679036405	0	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	0
"C2451629"	"2451-62-9"	"Triglycidyl isocyanurate"	"DSSTox_26262"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C24549062"	"24549-06-2"	"2-Ethyl-6-methylaniline"	"DSSTox_27833"	0	0	0	0	74.2989956134375	0	22.7281219586803	0	0	0	0	0	0	0	43.4753850060418	0	0	0
"C2457014"	"2457-01-4"	"Barium bis(2-ethylhexanoate)"	"DSSTox_44888"	0	0	0	0	0	0	52.9719719087143	25.4837889875736	70.1622609437995	0	96.2107556983748	0	0	0	0	0	0	0
"C24602866"	"24602-86-6"	"Tridemorph"	"DSSTox_41376"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2465272"	"2465-27-2"	"Auramine hydrochloride"	"DSSTox_20114"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	106.064124904472	125.20874101445
"C2467029"	"2467-02-9"	"Bisphenol F"	"DSSTox_22446"	0	0	0	0	0	54.0612524040745	118.011091977222	81.3577351051212	87.0241747447477	0	0	76.9145398287837	36.567803007154	0	0	0	0	0
"C24800440"	"24800-44-0"	"Tripropylene glycol"	"DSSTox_27837"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C24851987"	"24851-98-7"	"Methyl dihydrojasmonate"	"DSSTox_29325"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35.7364487056846	42.3031038212672	0	0
"C2491385"	"2491-38-5"	"2-Bromo-4-hydroxyacetophenone"	"DSSTox_34576"	0	84.2318153875027	36.5888123047199	0	0	0	53.7753139298784	0	0	0	0	45.6178550913687	82.2904305146145	0	0	0	0	0
"C2492264"	"2492-26-4"	"Sodium 2-mercaptobenzothiolate"	"DSSTox_26035"	0	0	0	0	0	0	0	0	0	0	0	0	15.1673030036866	0	0	0	0	0
"C249296433"	"249296-43-3"	"CJ-013610"	"DSSTox_47272"	0	0	0	0	0	31.5722685702739	0	33.2315623752616	0	0	59.6485189673675	0	0	0	0	66.242652198197	48.0797333441111	105.984459782536
"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	117.466037519295	0	0	50.5279895709512	62.1824723694129	428.644189953182	43.1202045739149	53.136339239527	66.107107102205	124.57320545388	0	0	116.720298132631	0	0	54.9368659082968	131.353726852589
"C25155300"	"25155-30-0"	"Sodium dodecylbenzenesulfonate"	"DSSTox_25219"	62.8692326182755	50.6770814858175	99.5853353415681	0	0	0	0	0	0	36.9501465511551	0	0	0	0	0	0	52.5917707186211	0
"C25168052"	"25168-05-2"	"Chlorotoluene"	"DSSTox_27852"	0	0	0	0	0	0	0	0	0	82.311648216326	0	0	0	0	0	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	0	0
"C2528167"	"2528-16-7"	"Monobenzyl phthalate"	"DSSTox_43938"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C25322694"	"25322-69-4"	"Polypropylene glycol"	"DSSTox_27863"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C253450098"	"253450-09-8"	"Besonprodil"	"DSSTox_47270"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33.1410039472014	0	0	0
"C25360105"	"25360-10-5"	"tert-Nonanethiol"	"DSSTox_27868"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	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	0	0	43.3971932433831	0	32.6265850036162	0	0	0	39.7691222019548	24.2538767222477	0	0	0	0	0
"C2554065"	"2554-06-5"	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	"DSSTox_38808"	0	0	0	41.0640157278142	0	31.9155551986747	116.022183896445	24.6371195591648	0	37.8623425602939	0	70.0770076434125	25.8185618351128	0	0	0	0	0
"C25550985"	"25550-98-5"	"Diisodecylphenyl phosphite"	"DSSTox_27877"	0	0	0	0	0	0	0	0	0	0	0	0	43.7629847524967	0	0	0	49.4491056416077	0
"C25606411"	"25606-41-1"	"Propamocarb hydrochloride"	"DSSTox_34849"	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	35.1905413149298	41.1665465029873	0	0	0	0	0
"C2593159"	"2593-15-9"	"Etridiazole"	"DSSTox_32547"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C25956176"	"25956-17-6"	"Allura Red C.I.16035"	"DSSTox_24436"	0	0	0	0	0	71.2161624776976	27.1484763277868	44.1140420839049	49.4576767970974	0	0	0	0	0	0	0	0	76.5329092285188
"C26002802"	"26002-80-2"	"Phenothrin"	"DSSTox_32688"	0	0	0	0	0	0	0	0	0	0	0	45.1609130382023	17.5626197269723	0	0	0	0	0
"C26027383"	"26027-38-3"	"Polyoxyethylene(10)nonylphenyl ether"	"DSSTox_36588"	29.3871855208621	0	51.0506962610121	0	0	70.6485152366284	30.6588987335007	131.097787948526	31.0233363195681	0	0	0	0	0	0	140.391692345434	85.957234832031	101.349411739019
"C26040517"	"26040-51-7"	"Bis(2-ethylhexyl) tetrabromophthalate"	"DSSTox_27887"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	69.2108396556763	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	0	71.0382655420987
"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	44.5628048137998	0	0	0	0	0	0
"C26225796"	"26225-79-6"	"Ethofumesate"	"DSSTox_34580"	0	0	0	0	0	0	0	0	0	51.554252194774	39.9999999880804	96.2781093692708	0	0	0	0	0	98.4403739956147
"C262376750"	"262376-75-0"	"HMR1426"	"DSSTox_47338"	0	0	0	0	0	0	0	0	0	0	0	0	28.5891347176927	0	28.9843312837742	0	115.405755318434	0
"C26264062"	"26264-06-2"	"Calcium dodecylbenzene sulfonate"	"DSSTox_27891"	46.2925949179472	121.389693104517	89.7864297530354	0	0	0	0	0	0	0	0	0	0	0	0	0	83.285611871857	0
"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	0	0
"C2634335"	"2634-33-5"	"1,2-Benzisothiazolin-3-one"	"DSSTox_32523"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C263553339"	"263553-33-9"	"GW473178E methyl benzene sulphonic acid"	"DSSTox_47313"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38.8080043321488	0	0
"C26402266"	"26402-26-6"	"Glyceryl monooctanoate"	"DSSTox_42006"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C26447109"	"26447-10-9"	"Ammonium xylene sulfonate"	"DSSTox_27899"	0	0	0	0	0	0	0	0	30.7836641301017	0	0	0	0	0	0	0	0	0
"C264618442"	"264618-44-2"	"SSR146977"	"DSSTox_47341"	0	0	33.6091376425619	0	0	0	40.9936192832152	0	0	0	0	0	0	0	0	0	0	0
"C26530201"	"26530-20-1"	"Octhilinone"	"DSSTox_25805"	0	0	0	0	0	0	0	0	0	0	0	56.381679197397	0	0	0	0	92.3982796662114	0
"C26628228"	"26628-22-8"	"Sodium azide"	"DSSTox_20121"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49.4752969446034	0	0
"C26644462"	"26644-46-2"	"Triforine"	"DSSTox_32654"	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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	39.024317190603	0	0	0	0	0	0
"C2687947"	"2687-94-7"	"N-Octyl-2-pyrrolidone"	"DSSTox_36435"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2687969"	"2687-96-9"	"1-Dodecyl-2-pyrrolidinone"	"DSSTox_42206"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	86.7141457301524	0
"C26896208"	"26896-20-8"	"Neodecanoic acid"	"DSSTox_27916"	0	0	0	0	0	0	0	0	0	0	0	0	27.0469293448392	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	0	0	0	0	0	0	0	0	17.2229288690808	0	0	0	0	0
"C2696846"	"2696-84-6"	"4-Propylaniline"	"DSSTox_48180"	0	0	0	0	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	0	0	0	0	0	45.0781055826658	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	30.3505743300003	0	51.0238046430891	0	0	0	0	0	0	0	0	60.8542472609148	0	0	0
"C27176870"	"27176-87-0"	"Dodecylbenzenesulfonic acid"	"DSSTox_27923"	76.385630071573	97.1713186740228	99.1674032273366	0	0	0	0	0	0	48.3481027363266	0	0	16.7210523080408	0	0	0	81.1843367502797	0
"C27178161"	"27178-16-1"	"Diisodecyl hexanedioate"	"DSSTox_27924"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48.1995960948221	0	0	0
"C271896"	"271-89-6"	"2,3-Benzofuran"	"DSSTox_20141"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C27193868"	"27193-86-8"	"Dodecylphenol"	"DSSTox_27926"	0	49.6255514350113	0	88.5213602219212	155.60800785167	142.285889542113	124.763265416613	59.0593370026826	78.051057103588	111.146551875227	89.7099612600528	82.051256379456	81.0461852116208	51.4193970257235	79.7760559451781	159.500876028838	60.5308215419335	126.210203630979
"C27253334"	"27253-33-4"	"Calcium neodecanoate"	"DSSTox_44902"	0	0	0	0	0	0	0	0	0	0	0	56.698149391602	33.0711206543283	0	0	0	0	0
"C27306781"	"27306-78-1"	"Silwet L77"	"DSSTox_40611"	0	0	31.8289793931224	0	0	49.1106003939468	39.8272283179507	106.68647844513	35.2500482263017	0	0	0	0	0	0	68.0266484251497	64.8916491376821	105.081276668067
"C27314132"	"27314-13-2"	"Norflurazon"	"DSSTox_24234"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C27323417"	"27323-41-7"	"Dodecylbenzene sulfonate triethanolamine (1:1)"	"DSSTox_27932"	0	0	0	0	0	0	0	0	0	0	0	0	25.1860598288468	0	56.8584979905972	0	0	0
"C27344418"	"27344-41-8"	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	"DSSTox_36467"	0	0	0	0	0	36.7603578594457	0	50.1255437105837	0	0	0	0	0	78.9349360360099	0	0	0	0
"C2756561"	"2756-56-1"	"Isobornyl propanoate"	"DSSTox_42062"	0	0	0	0	0	0	0	0	0	0	0	30.583213758002	0	0	0	0	0	0
"C2761242"	"2761-24-2"	"Triethoxypentylsilane"	"DSSTox_42491"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2772454"	"2772-45-4"	"2,4-Bis(1-methyl-1-phenylethyl)phenol"	"DSSTox_29241"	0	0	0	0	0	0	0	26.0195629484822	30.9769302617522	0	0	45.4984659219783	42.4424375324422	47.5648817981586	0	0	0	117.790005385087
"C2782572"	"2782-57-2"	"Troclosene"	"DSSTox_24993"	0	0	0	0	0	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"	36.5498056326357	0	0	0	0	0	0	0	0	0	0	53.9700311638348	46.1992513780967	0	0	0	48.6607215975922	0
"C27955948"	"27955-94-8"	"4,4',4-Ethane-1,1,1-triyltriphenol"	"DSSTox_37712"	107.609786819243	91.7849760645318	71.0098183502022	224.34426228481	150.555044066018	120.486504929857	209.586581848608	98.4833032497181	98.7517373750975	93.7006469186638	111.440595111876	57.4972620422538	18.8087108811924	0	205.92982908596	88.617963648884	118.564075605131	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	0	0	0	0	0
"C28249776"	"28249-77-6"	"Thiobencarb"	"DSSTox_24337"	0	0	0	0	0	0	0	0	0	0	0	56.539052039842	0	0	0	0	0	0
"C283594901"	"283594-90-1"	"Spiromesifen"	"DSSTox_34929"	0	0	0	0	0	0	0	0	0	0	0	0	16.3165095858871	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	0	0	0	0	0
"C28434006"	"28434-00-6"	"S-Bioallethrin"	"DSSTox_39336"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68.4166013273478	116.235556299863
"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	0	0	0	0
"C2870328"	"2870-32-8"	"C.I. Direct Yellow 12"	"DSSTox_41728"	0	108.29933880635	115.673381087052	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C28804888"	"28804-88-8"	"Dimethylnaphthalene"	"DSSTox_25130"	0	0	0	0	0	0	0	0	0	0	0	0	17.7638049336568	0	0	52.681701352839	0	0
"C288104790"	"288104-79-0"	"Surinabant"	"DSSTox_47357"	0	0	0	0	0	0	0	0	0	0	0	0	44.8795505654208	0	101.564284606241	103.077142896824	85.7777789939487	110.611443975901
"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	0	0	92.1983783434325	49.057720219486	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	0	0	0	0
"C289716945"	"289716-94-5"	"CP-607366"	"DSSTox_47280"	0	0	0	0	0	0	0	0	0	36.9938649678748	0	0	0	0	0	0	0	72.4805436564696
"C290352282"	"290352-28-2"	"CP-634384"	"DSSTox_47306"	0	0	0	0	0	0	0	0	0	0	0	37.891032174964	0	0	54.5979424883282	40.0317186472111	0	0
"C29091212"	"29091-21-2"	"Prodiamine"	"DSSTox_34210"	0	0	0	24.2783223496326	0	42.9495178512937	0	0	0	116.721311465512	86.2082754425441	45.7239871122667	14.0122583767024	0	0	30.8204177378858	145.074537663651	114.734369744752
"C29122687"	"29122-68-7"	"Atenolol"	"DSSTox_22628"	0	0	0	0	0	0	0	0	0	0	0	0	13.449643019666	0	0	0	0	0
"C291305061"	"291305-06-1"	"UK-373911"	"DSSTox_47295"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96.7357885239058	99.6563150989513
"C2917739"	"2917-73-9"	"Dibutyl nonanedioate"	"DSSTox_44815"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C2919666"	"2919-66-6"	"Melengestrol acetate"	"DSSTox_48184"	0	97.8827854761353	111.784480818117	0	0	0	0	0	0	0	0	0	0	0	0	55.2255508301193	0	0
"C2921882"	"2921-88-2"	"Chlorpyrifos"	"DSSTox_20458"	0	0	0	61.6376717715371	0	150.426151731903	0	35.435925585516	0	0	0	80.5448847998965	49.2959452803398	0	0	0	0	0
"C29232937"	"29232-93-7"	"Pirimiphos-methyl"	"DSSTox_24266"	0	0	0	20.4061286843822	0	56.3706553382528	0	59.5547363856555	0	0	0	75.4881088406858	30.1135033061955	0	0	0	0	0
"C2934056"	"2934-05-6"	"2,4-Diisopropylphenol"	"DSSTox_42273"	0	38.1990291810963	0	0	0	0	0	26.7254656000388	0	0	0	89.0097711848188	79.8543433335923	0	0	0	0	0
"C29385431"	"29385-43-1"	"Tolyltriazole"	"DSSTox_26171"	0	0	45.7584098317859	0	0	0	0	0	0	0	0	0	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	0	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	35.3760640691635	0	0	0	0	0	0
"C29590429"	"29590-42-9"	"Isooctyl acrylate"	"DSSTox_27955"	0	0	0	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"	98.8038302341097	97.4202273696314	101.126950120084	236.11055492393	242.979592752643	171.845693292588	292.247596091214	98.2409548992627	135.051875163511	100.526691802693	90.8301754047816	32.9974649715375	41.7418718329252	0	49.8445366421364	142.88585358676	103.351289055548	96.8591313477996
"C298000"	"298-00-0"	"Methyl parathion"	"DSSTox_20855"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C298022"	"298-02-2"	"Phorate"	"DSSTox_32459"	0	0	0	0	0	35.5901247692771	0	0	0	0	0	55.663277965397	25.0342503083723	0	65.4845159003859	37.5798117920541	0	0
"C298044"	"298-04-4"	"Disulfoton"	"DSSTox_22018"	0	0	0	0	0	29.7243257213945	0	0	0	21.3504258921064	0	55.7598860362933	19.4415288260529	0	35.3036127959373	0	0	0
"C298077"	"298-07-7"	"Bis(2-ethylhexyl) phosphate"	"DSSTox_27134"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	95.5366154413067	0
"C298198524"	"298198-52-4"	"SSR180711"	"DSSTox_47359"	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0	0	63.471075987024	0	0	49.5443618972556	0	0
"C2996921"	"2996-92-1"	"Trimethoxyphenylsilane"	"DSSTox_40700"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C300765"	"300-76-5"	"Naled"	"DSSTox_24209"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C3025307"	"3025-30-7"	"Ethyl (2E,4Z)-deca-2,4-dienoate"	"DSSTox_41357"	0	35.2811697875009	0	0	0	0	0	0	64.8833795367467	0	63.5992338226477	0	0	0	0	0	50.6236696643164	0
"C3026639"	"3026-63-9"	"Sodium tridecyl sulfate"	"DSSTox_42418"	60.4620762694005	0	112.860379676806	0	0	0	0	0	0	0	0	0	0	0	0	0	39.3113604132623	0
"C302794"	"302-79-4"	"trans-Retinoic acid"	"DSSTox_21239"	0	0	0	0	0	0	0	0	0	0	0	81.2598521811397	32.8780369632078	0	0	0	0	0
"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	0	0	0	0
"C30399849"	"30399-84-9"	"Isooctadecanoic acid"	"DSSTox_27963"	0	0	0	0	0	0	0	0	0	0	0	38.127327582439	0	0	0	0	0	0
"C30516871"	"30516-87-1"	"3'-Azido-3'-deoxythymidine"	"DSSTox_20127"	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0	96.7960684839175	60.9492681053542	0	0	0	0	0
"C311455"	"311-45-5"	"Paraoxon"	"DSSTox_24046"	34.8346894025425	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82.6030657166544	0
"C31218834"	"31218-83-4"	"Propetamphos"	"DSSTox_32470"	0	0	0	0	0	0	0	0	0	0	0	52.178495597162	21.8636874229544	0	0	0	0	0
"C313994795"	"313994-79-5"	"MK-578"	"DSSTox_47327"	0	0	0	0	0	0	0	0	0	0	0	0	25.2677268058792	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	0	0	0
"C3147759"	"3147-75-9"	"Octrizole"	"DSSTox_27522"	0	0	0	0	0	0	0	0	0	0	0	55.687440837068	17.47921964996	0	0	0	0	96.389909884894
"C31519229"	"31519-22-9"	"1,4-Dihydroxy-2-naphthoic acid"	"DSSTox_37730"	0	0	0	0	0	0	0	0	0	56.6801788835746	0	0	15.1868783971575	0	0	0	0	118.886728755751
"C3164850"	"3164-85-0"	"Potassium 2-ethylhexanoate"	"DSSTox_27525"	0	0	0	0	0	0	0	0	37.3220176151351	0	0	0	58.80582525247	0	0	64.0991228572458	0	0
"C3194556"	"3194-55-6"	"1,2,5,6,9,10-Hexabromocyclododecane"	"DSSTox_27527"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C319857"	"319-85-7"	"beta-Hexachlorocyclohexane"	"DSSTox_20685"	0	0	0	0	0	0	0	0	0	0	0	89.572481059513	58.2095444053142	0	90.6944841156287	42.3658238045271	0	0
"C32388559"	"32388-55-9"	"1-Cedr-8-en-9-ylethanone"	"DSSTox_29353"	0	0	0	46.8433154787653	0	89.2840826721578	0	54.4855627333175	40.2453107080709	23.4285338326103	0	78.065430354567	110.288655837171	0	0	0	0	0
"C3268493"	"3268-49-3"	"3-(Methylthio)propanal"	"DSSTox_27528"	0	0	0	0	0	0	35.6939676006471	0	0	0	0	0	0	0	0	0	0	0
"C32809168"	"32809-16-8"	"Procymidone"	"DSSTox_33923"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	65.2965472604146	0	0
"C328847"	"328-84-7"	"1,2-Dichloro-4-(trifluoromethyl)benzene"	"DSSTox_27142"	0	0	0	0	103.802915767724	0	0	0	0	0	0	0	0	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	0	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	0	0	0	0	0	0	0	0
"C330541"	"330-54-1"	"Diuron"	"DSSTox_20446"	0	0	0	0	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	0	0	0	0	0	0	0	0	0	0	0	0
"C33089611"	"33089-61-1"	"Amitraz"	"DSSTox_23871"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C331623064"	"331623-06-4"	"MK-547"	"DSSTox_47331"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C3319311"	"3319-31-1"	"Tris(2-ethylhexyl) trimellitate"	"DSSTox_26265"	0	27.7590266301353	69.8314986942582	26.755182796444	0	127.305586614658	71.0170161474931	113.449016221278	139.077622597976	89.7391304345524	67.7710676488011	61.0216173934813	69.1417311833473	0	95.0205763254532	81.709444178546	0	0
"C33228443"	"33228-44-3"	"4-Pentylaniline"	"DSSTox_40707"	0	0	0	36.6543631944543	0	101.632395388343	0	77.0845849631094	0	0	0	36.1119227942535	31.8782063443532	0	0	0	54.8601172626016	0
"C33228454"	"33228-45-4"	"4-Hexylaniline"	"DSSTox_40708"	0	0	46.30649597899	46.3367853985724	0	91.3504574931052	92.4223241078886	63.6081182644388	0	0	0	36.20521050811	33.2902397398693	0	0	0	93.2275326163827	0
"C333415"	"333-41-5"	"Diazinon"	"DSSTox_20407"	0	0	0	33.9096303282476	0	60.6213891519994	0	58.6769206611159	0	0	0	79.713921759408	39.4426318513238	0	0	0	0	0
"C3337711"	"3337-71-1"	"Asulam"	"DSSTox_23890"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C334485"	"334-48-5"	"Decanoic acid"	"DSSTox_21554"	0	0	0	0	0	0	0	0	0	0	0	67.4281811457808	57.9095603904162	0	0	0	53.7104150072857	0
"C335671"	"335-67-1"	"PFOA"	"DSSTox_31865"	0	0	0	0	0	0	0	0	0	0	0	106.941384139545	50.8408891326942	0	0	0	100.14105813726	0
"C335762"	"335-76-2"	"PFDA"	"DSSTox_31860"	0	0	0	0	0	0	0	0	0	0	0	56.9198509378095	17.1837060747234	0	0	0	76.0700141575446	0
"C33629479"	"33629-47-9"	"Butralin"	"DSSTox_32337"	0	0	0	0	0	0	0	0	0	40.7456496806228	0	90.085057329389	21.494004835927	0	59.9929552353474	0	0	0
"C33703081"	"33703-08-1"	"Hexanedioic acid, diisononyl ester"	"DSSTox_27982"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29.5110080598599	0	0
"C3380345"	"3380-34-5"	"Triclosan"	"DSSTox_32498"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	64.4570032413007	148.03708237334
"C33820530"	"33820-53-0"	"Isopropalin"	"DSSTox_24157"	0	41.1362669286367	0	36.3021486617848	0	69.831622159366	48.3058136943001	23.8955955249164	48.5854956715537	26.4911106637345	40.7654998644119	0	0	0	0	0	0	0
"C3383968"	"3383-96-8"	"Temephos"	"DSSTox_32484"	0	71.4842508092378	0	0	0	0	0	0	0	0	0	0	0	0	38.3010594172226	45.2365321347998	62.8179901683707	103.268605607963
"C3391864"	"3391-86-4"	"1-Octen-3-ol"	"DSSTox_35214"	0	0	0	0	0	0	33.9759037543839	0	35.3772231070556	0	0	0	0	0	0	0	0	0
"C33956499"	"33956-49-9"	"Codlelure"	"DSSTox_35288"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C34014181"	"34014-18-1"	"Tebuthiuron"	"DSSTox_24316"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C34256821"	"34256-82-1"	"Acetochlor"	"DSSTox_23848"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90.6919886035302	0
"C34451199"	"34451-19-9"	"Butyl (2S)-2-hydroxypropanoate"	"DSSTox_42335"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C344930956"	"344930-95-6"	"SSR69071"	"DSSTox_47368"	0	0	0	0	0	0	0	0	0	0	0	89.1174026560683	0	0	0	0	0	0
"C3452979"	"3452-97-9"	"3,5,5-Trimethyl-1-hexanol"	"DSSTox_29661"	0	0	0	0	0	0	46.874217734878	0	37.8191124121911	0	0	0	0	0	0	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	0	0	0	0
"C349495427"	"349495-42-7"	"PharmaGSID_47263"	"DSSTox_47263"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29.1916387003041	0	0
"C35256850"	"35256-85-0"	"Butam"	"DSSTox_41691"	0	0	0	0	0	55.2681948254221	39.0798902327585	68.2835130784889	45.4628483501926	0	0	61.1076064725843	55.0946547352148	0	66.3619079557852	60.943961269804	0	0
"C353280076"	"353280-07-6"	"CP-612372"	"DSSTox_47281"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C35367385"	"35367-38-5"	"Diflubenzuron"	"DSSTox_24049"	0	0	0	0	0	0	0	0	0	0	0	0	17.3598753381478	0	0	0	0	0
"C35400432"	"35400-43-2"	"Sulprofos"	"DSSTox_32675"	0	0	0	0	0	49.7146846531967	29.8221739578595	0	0	0	0	50.476773791801	38.9404642481535	0	0	0	0	0
"C3547339"	"3547-33-9"	"2-Hydroxyethyl octyl sulfide"	"DSSTox_32516"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C35554440"	"35554-44-0"	"Imazalil"	"DSSTox_24151"	0	0	0	0	0	0	0	0	0	0	0	35.3910795183005	23.3309754371813	0	0	0	0	89.1179104227838
"C35575963"	"35575-96-3"	"Azamethiphos"	"DSSTox_34818"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C35691657"	"35691-65-7"	"1,2-Dibromo-2,4-dicyanobutane"	"DSSTox_24944"	0	0	0	0	0	0	96.7229789561855	0	84.7512017994701	0	0	0	0	0	0	0	0	0
"C361343193"	"361343-19-3"	"Elzasonan"	"DSSTox_47277"	0	0	0	0	0	0	0	0	0	45.7787807957728	0	0	0	0	0	0	41.5161383123813	111.222850012056
"C361377299"	"361377-29-9"	"Fluoxastrobin"	"DSSTox_34625"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77.640928352074	89.6333757878702	123.444138637118
"C3622842"	"3622-84-2"	"N-Butylbenzenesulfonamide"	"DSSTox_27540"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C3653483"	"3653-48-3"	"MCPA-sodium"	"DSSTox_34700"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C36631308"	"36631-30-8"	"Triisodecyl trimellitate"	"DSSTox_47180"	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0
"C36734197"	"36734-19-7"	"Iprodione"	"DSSTox_24154"	0	0	0	0	0	0	0	0	0	0	0	0	15.8289653647817	0	0	0	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	0	0	0	0
"C368832422"	"368832-42-2"	"CP-728663"	"DSSTox_47283"	0	0	0	0	0	0	0	0	0	0	0	36.0490158349695	15.9936888124968	0	0	0	0	75.2104532163482
"C3691358"	"3691-35-8"	"Chlorophacinone"	"DSSTox_32348"	0	67.3998588774031	36.3474964408637	0	0	0	0	0	0	0	0	37.1114165283705	0	0	0	0	88.1008448060214	82.174053824657
"C3734336"	"3734-33-6"	"Denatonium benzoate"	"DSSTox_34376"	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0
"C3739386"	"3739-38-6"	"3-Phenoxybenzoic acid"	"DSSTox_38321"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C375859"	"375-85-9"	"Perfluoroheptanoic acid"	"DSSTox_37303"	0	0	0	0	0	0	0	0	0	0	0	0	19.8056650621112	0	0	0	0	0
"C375951"	"375-95-1"	"PFNA"	"DSSTox_31863"	0	0	54.17061170862	0	0	0	0	0	0	0	0	64.1475221658385	47.439073087249	0	0	0	81.4026900650609	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	59.9789441552742	0	27.471481626069	0	20.6415616292119	0	0	0	0	0	0	36.3373350007717	0	140.956405237132
"C3825261"	"3825-26-1"	"PFOA, ammonium salt"	"DSSTox_37708"	0	0	0	0	0	0	0	0	0	0	0	71.8396872833073	42.7095425015657	0	0	0	91.7926330188929	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	91.0949188325211
"C3855321"	"3855-32-1"	"2,6,10-Trimethyl-2,6,10-triazaundecane"	"DSSTox_44564"	0	0	0	0	0	0	0	0	0	0	0	35.6325783356193	0	0	64.7602759429067	0	0	0
"C3871996"	"3871-99-6"	"PFHS-K"	"DSSTox_37709"	0	0	0	0	0	0	0	0	0	0	0	0	34.513834238525	0	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	0	0	0	0	0	0	0
"C39236469"	"39236-46-9"	"Imidazolidinyl urea"	"DSSTox_40151"	0	0	0	0	0	0	29.9258314036944	0	0	0	0	49.0156966911753	22.024645686327	0	0	0	0	0
"C3926623"	"3926-62-3"	"Sodium chloroacetate"	"DSSTox_27550"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C39300453"	"39300-45-3"	"Dinocap"	"DSSTox_40352"	0	54.2094683870088	65.9318778339108	0	0	0	0	0	0	0	0	0	18.2628610393547	0	0	0	162.391167825398	108.843013387149
"C39515418"	"39515-41-8"	"Fenpropathrin"	"DSSTox_24002"	0	0	0	0	0	0	0	0	0	0	0	40.4427480178355	12.3373740839758	0	40.6436058699395	0	39.7282854068896	0
"C39905572"	"39905-57-2"	"4-Hexyloxyaniline"	"DSSTox_22288"	0	0	0	0	0	97.5225546072026	0	44.7969603601851	0	0	0	0	0	0	57.9076159856021	0	55.7795244069095	0
"C402910274"	"402910-27-4"	"UK-416244"	"DSSTox_47290"	0	0	34.065813724443	0	0	0	0	0	0	0	0	0	0	0	0	0	54.4189229742637	102.282073348408
"C40487421"	"40487-42-1"	"Pendimethalin"	"DSSTox_24245"	0	0	0	43.2057845483782	0	78.8698490075946	51.4520042138375	87.5685065235479	53.4250817121227	34.685816872714	0	122.033967896482	55.2596057596695	0	0	0	0	0
"C40649363"	"40649-36-3"	"4-Propylcyclohexanone"	"DSSTox_48198"	0	0	0	0	0	0	0	0	0	0	0	58.7950158776853	52.0889835889085	0	0	0	0	0
"C4065456"	"4065-45-6"	"Sulisobenzone"	"DSSTox_42436"	0	0	0	0	0	0	0	0	0	0	0	0	15.7133715381042	0	0	0	0	0
"C4098719"	"4098-71-9"	"Isophorone diisocyanate"	"DSSTox_23826"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C4107986"	"4107-98-6"	"N,N-Diisopropylaniline"	"DSSTox_42189"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C41198087"	"41198-08-7"	"Profenofos"	"DSSTox_32464"	0	0	0	0	0	55.7522121207711	0	41.1661340240764	0	0	0	39.9582497116742	15.6891903871447	0	0	0	41.6982861285687	0
"C4130421"	"4130-42-1"	"2,6-Di-tert-butyl-4-ethylphenol"	"DSSTox_29262"	0	0	26.5332267798465	0	0	0	0	0	0	0	0	50.287127454706	0	0	0	0	0	0
"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	91.2900870430382	91.1952740547208	0	0	0	0	0	0	0	0	0	14.7847986480855	0	0	0	0	60.8879875393432
"C41481667"	"41481-66-7"	"4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]"	"DSSTox_47598"	68.1605303720029	75.8173606889189	86.5999615053604	0	0	0	0	0	0	0	0	67.4319608976682	51.7851961936903	0	0	0	90.6009359630551	96.2511939147886
"C4151502"	"4151-50-2"	"Sulfluramid"	"DSSTox_32646"	0	0	0	0	0	0	0	0	0	0	0	49.862489378597	25.7788406837342	0	0	0	31.1819111637291	0
"C4180238"	"4180-23-8"	"(E)-Anethole"	"DSSTox_20087"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C420042"	"420-04-2"	"Cyanamide"	"DSSTox_34490"	0	0	0	0	0	0	0	0	27.9552949483581	0	0	0	0	0	0	0	0	0
"C42509808"	"42509-80-8"	"Isazofos"	"DSSTox_34676"	0	0	0	0	0	0	0	0	0	0	0	64.7032075882823	29.7143379620055	0	0	0	0	0
"C427510"	"427-51-0"	"Cyproterone acetate"	"DSSTox_20366"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	143.226017042329	129.500452976624	0
"C42874033"	"42874-03-3"	"Oxyfluorfen"	"DSSTox_24241"	0	0	0	0	0	0	0	0	0	0	0	34.131280803202	16.6237529032866	0	0	0	0	0
"C4291638"	"4291-63-8"	"Cladribine"	"DSSTox_22828"	0	44.3678444809824	0	0	0	0	0	0	0	0	0	0	34.9465596513582	0	96.3650660833099	0	0	0
"C43121433"	"43121-43-3"	"Triadimefon"	"DSSTox_23897"	0	0	0	0	0	26.8164797957482	0	0	0	0	0	104.873297533244	36.333770262684	0	0	25.6104169415133	0	0
"C43222486"	"43222-48-6"	"Difenzoquat metilsulfate"	"DSSTox_24048"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85.4032853953252	51.3552521397555	109.75432326192
"C4342363"	"4342-36-3"	"Tributyltin benzoate"	"DSSTox_34981"	0	50.2484885477835	74.0312324385268	0	0	0	0	0	0	46.8292663905182	0	46.0775664703558	16.4359861277047	45.6181406780765	0	0	78.3005515666287	102.92213147027
"C4344552"	"4344-55-2"	"4-Butyloxyaniline"	"DSSTox_48199"	0	0	0	0	0	0	0	0	37.1039391322622	0	0	29.3589107031768	0	0	51.9604012648745	0	0	0
"C4376185"	"4376-18-5"	"Monomethyl phthalate"	"DSSTox_40001"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C4376209"	"4376-20-9"	"Mono(2-ethylhexyl) phthalate"	"DSSTox_25680"	0	0	0	0	0	0	0	0	0	0	0	0	25.9636586126895	0	0	0	40.4560759303396	0
"C439687691"	"439687-69-1"	"Nelivaptan"	"DSSTox_47358"	0	0	0	0	0	0	0	0	0	0	0	0	21.3299372951581	0	0	0	76.56225133846	0
"C4418262"	"4418-26-2"	"Sodium dehydroacetate"	"DSSTox_26029"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61.897561714905	0	0	0
"C4437858"	"4437-85-8"	"Butylene carbonate"	"DSSTox_40342"	0	0	0	0	0	0	0	0	0	0	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	0	0	21.3707435394021	0	0	0	98.7872739970205	0
"C4449518"	"4449-51-8"	"Cyclopamine"	"DSSTox_43709"	0	0	0	0	0	0	43.009143772006	0	0	0	0	0	0	0	0	0	0	0
"C445295045"	"445295-04-5"	"CP-671305"	"DSSTox_47282"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C4455269"	"4455-26-9"	"N-Methyldioctylamine"	"DSSTox_42209"	0	0	0	0	0	0	0	0	0	0	0	104.715375336362	53.0588263787935	0	0	0	0	0
"C446720"	"446-72-0"	"Genistein"	"DSSTox_22308"	94.2625440884004	99.7195382741134	61.9787362067176	254.951882861295	205.885514322898	203.599302766325	226.581988189585	142.27986068338	156.35240308654	96.9100277417311	80.9037611463385	103.70649544224	100.081699139222	93.0093640354487	246.106638191957	125.765791259591	66.2789608863751	0
"C4468422"	"4468-42-2"	"3-Phenylhexane"	"DSSTox_41492"	0	0	0	0	0	0	0	0	0	0	0	78.196895342897	62.5460499881605	0	0	0	0	0
"C446866"	"446-86-6"	"Azathioprine"	"DSSTox_20119"	0	0	0	0	0	0	0	0	0	0	0	47.683965153691	23.5387506590827	0	0	0	0	0
"C451401"	"451-40-1"	"1,2-Diphenylethanone"	"DSSTox_44430"	0	0	0	0	0	45.2302923324451	0	54.0088290773913	0	0	0	64.6796291946803	32.3691474449017	0	66.2565294292426	0	0	0
"C4548532"	"4548-53-2"	"FD&C Red 4"	"DSSTox_21234"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"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	84.6355878585418	49.9560156461348	0	0	0	0	0	0	75.3749997863537	0	0	0	0	0	92.0904600597308	124.745010161985	127.057524947922
"C460004"	"460-00-4"	"1-Bromo-4-fluorobenzene"	"DSSTox_27153"	0	0	0	0	0	0	0	0	0	0	0	87.023285590025	42.0646796647758	0	0	0	0	0
"C4602840"	"4602-84-0"	"Farnesol"	"DSSTox_32389"	0	0	0	0	0	0	0	0	42.3025495685663	0	0	65.40768328553	38.0498266240248	0	32.1505709143648	0	38.1394330813951	0
"C461023632"	"461023-63-2"	"Aplaviroc hydrochloride"	"DSSTox_47316"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C461585"	"461-58-5"	"Cyanoguanidine"	"DSSTox_20354"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45.7740388651335	0	0
"C463401"	"463-40-1"	"Linolenic acid"	"DSSTox_25506"	0	38.935273522151	0	0	0	0	0	0	26.275821394693	21.0136936367678	0	0	0	0	0	0	0	0
"C4638486"	"4638-48-6"	"5-Chlorosalicylanilide"	"DSSTox_37749"	0	0	0	0	0	0	51.0050893434965	0	24.535771958564	0	0	0	0	0	0	0	0	91.7498034046088
"C464493"	"464-49-3"	"D-Camphor"	"DSSTox_24721"	0	0	0	0	0	0	0	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	0	0	50.7462134994155	0	58.0773943262356	0	0	0	67.2376825925247	15.7366670734582	0	0	0	0	0
"C470826"	"470-82-6"	"1,8-Cineol"	"DSSTox_20616"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C4712554"	"4712-55-4"	"Diphenyl phosphite"	"DSSTox_41889"	46.2708538865933	98.9577249625625	43.3589040204578	0	0	66.3467315553395	63.3039801601673	25.0310054306201	33.367682535051	50.2201110475086	79.1450380817435	0	51.256705748841	0	81.806238335284	153.591390092233	0	0
"C473289622"	"473289-62-2"	"Ilepatril"	"DSSTox_47356"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C474862"	"474-86-2"	"Equilin"	"DSSTox_47433"	105.316456562418	99.1186333258856	0	229.734995759652	221.299444528216	167.638219348393	145.978105167472	130.484217302956	140.002223125762	97.686307678912	98.7963938585939	101.695005680114	118.363585567452	112.486046377599	112.037262886766	147.268927623924	0	0
"C478149530"	"478149-53-0"	"PHA-00543613"	"DSSTox_47284"	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	35.3213994821058	0
"C480400"	"480-40-0"	"Chrysin"	"DSSTox_22396"	0	0	0	0	0	0	81.1308460322862	0	93.6450192119041	0	0	34.8027522827048	24.8205257682155	51.3368431483431	146.544743658272	77.5619534927586	117.019741341991	0
"C480637"	"480-63-7"	"2,4,6-Trimethylbenzoic acid"	"DSSTox_48200"	0	0	0	0	0	0	0	0	0	119.999995050008	74.9829008866416	0	0	0	0	0	0	0
"C484173"	"484-17-3"	"9-Phenanthrol"	"DSSTox_47592"	0	40.5644386910747	0	0	0	0	0	0	0	47.1010815590825	0	0	0	22.6829041280629	0	0	138.026219580527	107.342240498092
"C486566"	"486-56-6"	"Cotinine"	"DSSTox_47576"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C486668"	"486-66-8"	"Daidzein"	"DSSTox_22310"	59.7093528044218	89.2834188728822	57.3668099451809	203.157736198593	106.985236079793	129.866322365903	142.483719859977	150.154949358477	151.136917654705	97.1914924550323	90.7973011397834	107.512371023694	85.196301532283	98.2042988821387	329.414625979853	150.70996556675	0	0
"C487069"	"487-06-9"	"5,7-Dimethoxy-2H-chromen-2-one"	"DSSTox_41421"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C489010"	"489-01-0"	"2,6-Di-tert-butyl-4-methoxyphenol"	"DSSTox_41379"	0	0	0	154.779429407281	38.6442790106247	0	0	0	0	0	0	33.5609056938752	0	0	0	0	0	0
"C4904614"	"4904-61-4"	"1,5,9-Cyclododecatriene"	"DSSTox_27581"	0	0	0	0	0	0	0	0	0	0	0	41.4052375690905	0	0	0	0	0	0
"C491805"	"491-80-5"	"Biochanin A"	"DSSTox_22394"	64.8598091265618	56.9933809963351	0	93.6414867025601	116.519740802791	104.506122441011	130.288848941241	151.984123262445	135.318570346839	88.1761181983163	73.3371960107599	103.509708061591	80.8924895907365	60.9611446849909	317.111119914926	110.978882748472	87.0412342596765	0
"C493527"	"493-52-7"	"Methyl red"	"DSSTox_42154"	0	0	29.3859368843521	0	0	0	0	0	0	0	0	0	0	0	0	0	61.9037638243137	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	31.012030653994	0	0	0	0	0
"C49562289"	"49562-28-9"	"Fenofibrate"	"DSSTox_29874"	0	0	0	0	0	0	0	0	0	0	0	93.1922827010145	45.7490641410165	0	0	0	59.0525663683601	68.8783023416111
"C496468"	"496-46-8"	"Glycoluril"	"DSSTox_31380"	0	0	0	0	51.1828979501831	0	111.671023965984	63.0184381977956	86.0667457070152	0	99.3394295384236	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	56.3775813005595	0	55.8470959637732	0
"C499752"	"499-75-2"	"Isopropyl-o-cresol"	"DSSTox_42074"	0	0	0	0	0	46.4484847868069	0	54.6328850948049	0	0	0	0	0	0	0	0	0	0
"C499832"	"499-83-2"	"2,6-Pyridinedicarboxylic acid"	"DSSTox_22043"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C500389"	"500-38-9"	"Nordihydroguaiaretic acid"	"DSSTox_22437"	81.8178692783723	79.4551708596503	86.5141175881161	198.801520291823	69.8147251165429	168.620739100973	834.915979155268	108.779097162044	36.0160362153322	81.7915137467258	81.7136521345701	56.9069715298988	52.3426169259828	36.8687829702684	44.1853475512361	25.6484943286976	112.919721627328	0
"C501027492"	"501027-49-2"	"PD-0333941"	"DSSTox_47307"	0	0	0	0	0	0	0	0	0	0	0	0	14.6917009254084	0	0	0	66.1119405269091	0
"C50146"	"50-14-6"	"Ergocalciferol"	"DSSTox_20233"	0	0	118.761360260092	0	0	0	0	0	0	0	0	0	0	0	0	0	154.525252914323	0
"C50215"	"50-21-5"	"Lactic acid"	"DSSTox_23192"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49.0517134038241	0	0
"C50226"	"50-22-6"	"Corticosterone"	"DSSTox_22474"	0	0	0	0	0	0	0	0	0	0	0	0	50.930858391646	0	0	43.9831999034283	0	0
"C50271"	"50-27-1"	"Estriol"	"DSSTox_22366"	92.2662804733256	103.603392766012	96.6738126615327	209.466197721851	219.752306619797	127.734043701931	166.999255509513	251.010011711985	182.030711556885	109.370023339716	126.892416026899	96.7366461264672	102.552735552458	104.156611195495	90.6144632775714	108.446674182266	0	0
"C50282"	"50-28-2"	"17beta-Estradiol"	"DSSTox_20573"	109.786394686196	100.025915461696	63.3546908675257	165.762675891947	123.706842804271	99.851681886166	111.448954178497	105.733544309498	97.0435627483516	100.250137823088	92.7416005148199	119.877209512604	107.692517057241	97.7236770945368	93.3114480861625	156.069185990502	88.4959605221943	0
"C50293"	"50-29-3"	"p,p'-DDT"	"DSSTox_20375"	0	0	0	87.4035015415752	0	235.75995509122	30.7262388157127	60.5169775342952	30.1713700628521	94.7985894248467	88.9487206485454	133.422507205664	78.8114212879425	30.1942578091458	49.5389375602967	0	0	0
"C50351"	"50-35-1"	"Thalidomide"	"DSSTox_22524"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C50419"	"50-41-9"	"Clomiphene citrate"	"DSSTox_20337"	95.317153383673	90.8453480448498	100.199561237129	215.764454256813	415.254757459923	247.898627256298	485.377744103164	253.946944306006	275.047325580135	102.580169676927	124.921423340532	0	0	0	0	0	104.798067900763	97.6633569309398
"C50471448"	"50471-44-8"	"Vinclozolin"	"DSSTox_22361"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73.1159930025218	0
"C50555"	"50-55-5"	"Reserpine"	"DSSTox_21237"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	115.914583654877	60.1873036732937
"C50594666"	"50594-66-6"	"Acifluorfen"	"DSSTox_20022"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67.2337976633622	0
"C50657"	"50-65-7"	"Niclosamide"	"DSSTox_40362"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37.1212728638119	0	0	103.711964129126
"C50704"	"50-70-4"	"D-Glucitol"	"DSSTox_23588"	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0
"C50817"	"50-81-7"	"L-Ascorbic acid"	"DSSTox_20106"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	94.2475214250146	0	0	0
"C50892234"	"50892-23-4"	"Pirinixic acid"	"DSSTox_20290"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44.2784531155695	0
"C510156"	"510-15-6"	"Chlorobenzilate"	"DSSTox_20299"	0	31.6225286570427	0	0	0	0	0	0	0	0	0	0	19.4508799887502	0	0	0	85.9535257462517	0
"C51036"	"51-03-6"	"Piperonyl butoxide"	"DSSTox_21166"	0	0	0	0	0	27.976068366949	0	0	0	0	0	69.9907493033682	28.8361799503632	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	56.6903516462368	0	0
"C5116949"	"5116-94-9"	"Monotridecyl phosphate"	"DSSTox_42169"	38.8423653586308	0	115.447701608095	0	0	0	0	0	0	0	0	0	0	0	0	0	69.1378713770393	0
"C51218"	"51-21-8"	"5-Fluorouracil"	"DSSTox_20634"	0	0	0	0	0	0	0	0	0	0	0	93.218900812257	15.2562918826529	0	0	0	0	0
"C51218452"	"51218-45-2"	"Metolachlor"	"DSSTox_22448"	0	0	0	0	0	0	0	0	0	0	0	44.6873725303215	27.8790417259705	0	0	0	0	0
"C51229788"	"51229-78-8"	"Chloroallyl methenamine chloride"	"DSSTox_35748"	0	0	0	0	0	0	30.5507593085462	0	0	0	57.6746060985634	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	91.0136617831969	0	30.4979619614151	28.851672153949	44.3014112699108	33.4641845397962	0	0	0	0	58.756768982156	66.3357888803532	0	63.8856655969491	84.2639176311638	74.5194556047726	0
"C512425"	"512-42-5"	"Sodium methyl sulfate"	"DSSTox_42406"	0	0	0	0	0	0	0	0	0	0	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	0	0	63.2223560079727	0	84.0726201893756
"C51309"	"51-30-9"	"Isoproterenol hydrochloride"	"DSSTox_25486"	0	0	0	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	0	0	0	0	0	0	0	0	0	0	0
"C5137553"	"5137-55-3"	"Methyltrioctylammonium chloride"	"DSSTox_44487"	0	0	67.7197653979716	0	0	0	0	0	0	75.0044343505915	0	0	0	136.401583684115	0	0	0	109.12254963086
"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"	0	0	27.37986064477	0	0	0	0	0	0	0	0	0	55.3954151302882	0	0	0	0	0
"C51525"	"51-52-5"	"6-Propyl-2-thiouracil"	"DSSTox_21209"	66.5665608201353	97.8301859427117	0	0	0	0	0	0	0	0	0	44.4759757754288	64.4142316559415	0	0	89.0772220399106	0	0
"C5153253"	"5153-25-3"	"2-Ethylhexylparaben"	"DSSTox_22525"	73.1352441609529	95.2996955173639	61.9004308015288	182.252247932131	138.490413327394	192.324042778513	208.962191905131	102.894491970278	107.690241368679	103.62577356378	87.0162332625411	40.9263032452003	62.7261243717225	37.8202510296064	115.2386483456	116.982103878877	78.4207865151761	0
"C51580860"	"51580-86-0"	"Sodium dichloro-s-triazinetrione dihydrate"	"DSSTox_29761"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C51630581"	"51630-58-1"	"Fenvalerate"	"DSSTox_20621"	0	0	0	0	0	0	0	0	0	0	0	0	14.9664743558188	0	46.5892989696295	0	32.918859545655	0
"C51632167"	"51632-16-7"	"1-(Bromomethyl)-3-phenoxybenzene"	"DSSTox_28022"	0	0	0	45.2971448421714	44.2389818545125	155.241972455637	178.377644435983	106.442720465607	91.5968594708809	0	0	57.8380657675277	55.8692484748423	0	92.6065130841666	27.7050283861286	0	0
"C51707552"	"51707-55-2"	"Thidiazuron"	"DSSTox_32651"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41.9538891411445	86.2323348224079
"C51796"	"51-79-6"	"Urethane"	"DSSTox_21427"	0	0	0	0	0	0	0	0	0	0	0	0	17.9075290105184	0	30.9494052472636	0	0	0
"C52017"	"52-01-7"	"Spironolactone"	"DSSTox_34186"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61.3265910272372	110.352537557178	0
"C520183"	"520-18-3"	"Kaempferol"	"DSSTox_20768"	0	63.4670015903563	27.3639263461816	0	25.6924873009127	0	95.4146492433741	0	121.813614588102	35.3373987371212	0	92.410186226449	76.7234863771545	44.2660968070696	68.3847969963142	110.731532967729	87.7820867870366	0
"C520365"	"520-36-5"	"Apigenin"	"DSSTox_22391"	0	84.1560833203305	35.4389387255597	76.7395393408158	0	137.347330092677	0	117.151968057706	0	95.0332737687316	64.007320885722	95.037131607376	83.9003601427085	122.61215512198	504.572512874716	50.712211919466	110.185295696734	0
"C520456"	"520-45-6"	"Dehydroacetic acid"	"DSSTox_20014"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C521186"	"521-18-6"	"5alpha-Dihydrotestosterone"	"DSSTox_22364"	0	75.0960132065578	0	46.3168460236654	42.6160410329492	87.1202672913079	149.630707143495	86.6042998574808	140.337004454934	99.5348933904816	37.7699445076116	65.6605413344355	71.6665927907378	117.636932132131	122.342235597212	106.079384859869	0	0
"C5216251"	"5216-25-1"	"4-Chlorobenzotrichloride"	"DSSTox_27593"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	86.1836493287506	0	0	0
"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	27.52399997561	0	0
"C52315078"	"52315-07-8"	"Cypermethrin"	"DSSTox_23998"	0	0	0	0	0	0	0	0	0	0	0	57.7168891036223	23.8178773451179	0	31.6048563426617	0	0	0
"C5234684"	"5234-68-4"	"Carboxin"	"DSSTox_23951"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36.954226591189	0	0	0
"C52517"	"52-51-7"	"Bronopol"	"DSSTox_24652"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C525791"	"525-79-1"	"Kinetin"	"DSSTox_35175"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56.1901689926614	0	0
"C525826"	"525-82-6"	"Flavone"	"DSSTox_22048"	0	0	0	0	0	0	0	0	0	0	0	38.6786155672747	68.2609052356437	0	59.3679579826626	0	0	0
"C52645531"	"52645-53-1"	"Permethrin"	"DSSTox_22292"	0	0	0	0	0	0	0	0	0	0	0	52.521373269803	20.891420416593	0	0	0	0	0
"C526750"	"526-75-0"	"2,3-Dimethylphenol"	"DSSTox_25143"	0	0	0	0	0	0	0	0	0	0	0	72.6784382686917	60.5370119815662	0	0	0	0	0
"C52686"	"52-68-6"	"Trichlorfon"	"DSSTox_21389"	0	0	0	0	0	24.6884750585323	36.0784525364268	40.2094053998741	61.8390235791938	0	83.033073205609	57.10378910865	0	0	83.6192329898345	0	0	0
"C527606"	"527-60-6"	"2,4,6-Trimethylphenol"	"DSSTox_22049"	0	0	0	0	0	0	0	0	0	0	0	50.9872411958017	0	0	0	0	0	0
"C527680564"	"527680-56-4"	"PHA-00568487"	"DSSTox_47285"	0	0	0	0	0	0	0	0	0	0	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	69.1580649148912	0	103.288163887002
"C528290"	"528-29-0"	"1,2-Dinitrobenzene"	"DSSTox_24066"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70.6050281754155	0	0	0
"C52868"	"52-86-8"	"Haloperidol"	"DSSTox_34150"	0	0	0	0	0	0	36.5105758892454	0	0	0	0	0	37.1943654915565	0	0	0	0	0
"C52918635"	"52918-63-5"	"Deltamethrin"	"DSSTox_20381"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C53032"	"53-03-2"	"Prednisone"	"DSSTox_21185"	0	0	0	0	0	0	0	0	0	0	0	96.6440145204908	79.2117926952038	0	74.5494386870948	80.462853308503	0	0
"C53112280"	"53112-28-0"	"Pyrimethanil"	"DSSTox_34877"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5315797"	"5315-79-7"	"1-Hydroxypyrene"	"DSSTox_38298"	0	0	0	0	0	0	0	0	0	0	0	45.7056934793807	24.3674603730387	0	40.5647209412219	28.5605028628161	0	0
"C53167"	"53-16-7"	"Estrone"	"DSSTox_22367"	103.710802777002	99.5946285867041	59.5745368856493	179.166669595054	184.546308334894	191.936845267458	207.960480871533	105.791055951836	113.71665986434	105.35291183695	99.6462772219576	46.7404107899117	89.4260589013665	110.679918917562	97.3902027849663	117.902849498947	0	0
"C53190"	"53-19-0"	"o,p'-DDD"	"DSSTox_20372"	0	41.8094572026368	60.1489566829668	30.9280937243958	31.6254817460563	73.3758865871182	59.9334047870734	33.1787851382979	41.3671192679293	98.1149016311239	102.548519730548	92.5410109595265	115.685856687852	35.7183109254698	77.0917084171349	58.1984379419454	84.4464187780618	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	0	0	0	0
"C532274"	"532-27-4"	"2-Chloroacetophenone"	"DSSTox_20293"	0	0	0	0	0	0	0	0	0	66.755195929046	81.5893250647444	99.726316956791	0	0	0	0	0	0
"C532321"	"532-32-1"	"Sodium benzoate"	"DSSTox_20140"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5329146"	"5329-14-6"	"Sulfamic acid"	"DSSTox_34005"	0	0	0	0	0	0	0	0	0	164.238163059902	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	0	0	0	0	0	0	0	0	0	0	0	0
"C5333426"	"5333-42-6"	"2-Octyl-1-dodecanol"	"DSSTox_36288"	0	0	72.7456900168174	0	0	0	0	0	0	0	0	0	0	0	0	36.2346880427308	0	0
"C533744"	"533-74-4"	"Dazomet"	"DSSTox_24902"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49.6492293540973	0
"C534134"	"534-13-4"	"N,N'-Dimethylthiourea"	"DSSTox_42191"	0	0	0	0	0	0	0	0	0	0	0	71.5028638845288	26.2652755795325	0	0	37.5285641558969	0	0
"C53430"	"53-43-0"	"Dehydroepiandrosterone"	"DSSTox_20379"	32.9056971984504	77.4942041795756	50.127062347179	104.258922401507	143.869709707306	128.045222142605	166.369705122739	129.875576440772	98.5119007223062	99.89136697872	96.4172108338562	100.999001990135	91.268493544391	120.964600913709	108.873503899053	157.554882898797	0	0
"C534521"	"534-52-1"	"2-Methyl-4,6-dinitrophenol"	"DSSTox_22053"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57.5244690354323	129.622675496678
"C5349519"	"5349-51-9"	"4-(2-Methylbutan-2-yl)cyclohexanol"	"DSSTox_40716"	83.5795362077717	97.3907894955929	0	0	0	54.4289344483627	0	44.438062708365	0	83.4891321287466	90.7852437946289	93.2826502009097	92.0646071653472	0	0	156.389048881843	0	0
"C53703"	"53-70-3"	"Dibenz(a,h)anthracene"	"DSSTox_20409"	0	0	0	0	0	0	0	0	0	0	0	0	23.3958566544434	0	0	0	0	0
"C53861"	"53-86-1"	"Indomethacin"	"DSSTox_20740"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C53894238"	"53894-23-8"	"Triisononyl trimellitate"	"DSSTox_28033"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5392405"	"5392-40-5"	"3,7-Dimethyl-2,6-octadienal"	"DSSTox_24836"	0	0	0	0	0	0	0	0	0	0	0	0	28.5062198782775	0	0	0	0	0
"C53939289"	"53939-28-9"	"(Z)-11-Hexadecenal"	"DSSTox_32303"	0	0	0	0	0	0	0	0	0	0	0	72.3407574980813	74.81435856125	0	79.1723834277804	70.7643351019871	0	0
"C5394365"	"5394-36-5"	"5-Ethyl-5-methylhydantoin"	"DSSTox_41368"	0	0	0	0	0	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	0	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	0	0	0
"C541026"	"541-02-6"	"Decamethylcyclopentasiloxane"	"DSSTox_27184"	0	0	0	0	137.811627604525	0	22.2658626038087	0	132.058713904234	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	83.0550407352908	47.0386869111353	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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5437456"	"5437-45-6"	"Benzyl bromoacetate"	"DSSTox_40343"	0	0	0	0	0	0	0	0	0	0	0	0	16.7258336106397	0	28.7786312755863	0	0	0
"C544638"	"544-63-8"	"Tetradecanoic acid"	"DSSTox_21666"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C544763"	"544-76-3"	"Hexadecane"	"DSSTox_27195"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28.0094656849075	0	0	0
"C54593838"	"54593-83-8"	"Chlorethoxyfos"	"DSSTox_32344"	0	0	0	0	0	32.4204244907357	0	39.027617941802	0	0	0	60.050720963253	29.5206872809193	0	66.0626029724629	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	0	0	0	0	0
"C54853"	"54-85-3"	"Isoniazid"	"DSSTox_20755"	0	0	0	0	0	0	0	0	0	0	0	0	61.7616731720948	0	0	38.7878557016533	0	0
"C548629"	"548-62-9"	"Gentian Violet"	"DSSTox_20653"	0	0	0	0	0	0	0	0	0	0	0	0	14.8231026955755	51.5296330888196	0	0	44.103548425936	112.721637400115
"C54965241"	"54965-24-1"	"Tamoxifen citrate"	"DSSTox_21301"	97.3054888230833	99.7605544354728	79.8107722402575	299.216530102582	390.760095265162	280.444229050686	314.182753097579	160.617092105445	327.294764073165	113.046584944187	108.393677106356	0	0	168.556266016938	0	0	99.1246695499358	101.257014015965
"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	0	0	0	0
"C55219653"	"55219-65-3"	"Triadimenol"	"DSSTox_32493"	0	0	0	0	0	47.2939526460422	59.9098045573667	70.9308221518222	88.3310005582747	0	0	70.9803599641102	33.003312651909	0	0	0	0	0
"C552307"	"552-30-7"	"Trimellitic anhydride"	"DSSTox_26235"	0	0	0	0	0	0	0	0	0	50.6837456825917	32.2159088270281	0	0	0	0	0	0	0
"C55283686"	"55283-68-6"	"Ethalfluralin"	"DSSTox_32386"	0	0	0	0	0	78.5960512343129	0	0	0	68.5113835374883	0	80.927410688718	25.9182670507123	0	0	0	0	0
"C55285148"	"55285-14-8"	"Carbosulfan"	"DSSTox_23950"	0	0	33.8889232234974	0	0	0	0	0	0	0	0	77.819443524184	80.9744836385197	0	49.7763707030559	0	52.045237757897	0
"C55290647"	"55290-64-7"	"Dimethipin"	"DSSTox_24052"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C553264"	"553-26-4"	"4,4'-Bipyridine"	"DSSTox_27200"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28.1604962388467	0	0
"C55335063"	"55335-06-3"	"Triclopyr"	"DSSTox_32497"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5536618"	"5536-61-8"	"Sodium methacrylate"	"DSSTox_44823"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	27.6385332642041	0	0	0	0	0	112.260116962579	45.138005765264	0	0	0	0	0
"C55406536"	"55406-53-6"	"3-Iodo-2-propynyl-N-butylcarbamate"	"DSSTox_28038"	0	0	0	0	0	0	0	0	0	84.1947624279351	0	0	0	0	0	0	0	101.335970233535
"C55512339"	"55512-33-9"	"Pyridate"	"DSSTox_32639"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51.8898209889339	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	0	0
"C556525"	"556-52-5"	"Glycidol"	"DSSTox_20666"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C556616"	"556-61-6"	"Methyl isothiocyanate"	"DSSTox_27204"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49.4976663149593	0	0	0
"C556672"	"556-67-2"	"Octamethylcyclotetrasiloxane"	"DSSTox_27205"	0	0	0	0	0	0	0	0	0	0	0	68.4727593555395	31.855591602016	0	0	0	0	0
"C55814410"	"55814-41-0"	"Mepronil"	"DSSTox_37565"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	27.5281075260046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5598130"	"5598-13-0"	"Chlorpyrifos-methyl"	"DSSTox_32352"	0	0	0	0	0	0	0	0	0	0	0	63.0613441076287	44.4561887164495	0	0	0	0	0
"C5598152"	"5598-15-2"	"Chlorpyrifos oxon"	"DSSTox_38666"	0	0	0	0	0	0	0	0	0	0	0	37.882942327737	32.17424587428	89.1494538583309	0	0	71.5402239884239	96.7375831872381
"C56042"	"56-04-2"	"6-Methyl-2-thiouracil"	"DSSTox_20890"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C563122"	"563-12-2"	"Ethion"	"DSSTox_24086"	45.0617474179714	35.6642013323708	0	24.780995451611	0	57.5034537559832	35.2437848287625	45.3493841036994	29.6821822684686	87.6595744663179	0	58.4606170894173	25.5560544151128	0	41.5491740608579	0	0	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	0	0	0
"C56382"	"56-38-2"	"Parathion"	"DSSTox_21100"	0	0	0	0	0	0	0	0	0	0	0	80.4931746919982	32.1559877665483	0	0	0	0	0
"C56531"	"56-53-1"	"Diethylstilbestrol"	"DSSTox_20465"	101.438996244744	99.9443100515294	100.473793070172	121.451274593606	175.300422121173	127.825261144725	121.964561436368	90.9610493770161	94.0037841469386	102.182643210728	108.247576144435	96.0489858570345	78.0760726757702	96.6217479108983	85.8067113374211	107.374304694221	41.2088992854106	82.6238417256293
"C56553"	"56-55-3"	"Benz(a)anthracene"	"DSSTox_23902"	0	0	0	0	0	0	0	0	32.7503674013998	0	0	73.5756904526397	88.2870071714692	0	81.8452674786761	0	0	0
"C56724"	"56-72-4"	"Coumaphos"	"DSSTox_20347"	0	0	0	0	0	0	0	0	0	0	0	0	20.9678658646313	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	93.0792477571608	59.4047141290864	0	0	0	0	0	0	62.5811356859128	64.9918335845801	0	19.2521859219772	0	0	0	77.4647169423986	96.9232470831961
"C5700492"	"5700-49-2"	"1,2-Ethanediamine dihydriodide"	"DSSTox_44570"	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0
"C57090"	"57-09-0"	"Hexadecyltrimethylammonium bromide"	"DSSTox_37028"	0	102.658263828788	83.5830481704177	0	0	0	0	0	0	95.6496346769567	110.476190431185	0	0	0	0	0	82.3681752753111	117.226110126726
"C57103"	"57-10-3"	"Hexadecanoic acid"	"DSSTox_21602"	0	0	0	0	0	0	0	0	0	0	0	0	19.4241669838971	0	39.6519466174671	0	0	0
"C57114"	"57-11-4"	"Octadecanoic acid"	"DSSTox_21642"	0	66.2258718277776	0	0	0	0	0	0	0	0	0	67.9178843094005	68.5279135106035	97.9162503378036	98.4301347352714	105.999537013994	0	0
"C57136"	"57-13-6"	"Urea"	"DSSTox_21426"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0	0	0	24.6787063989036	0	0	0
"C57307"	"57-30-7"	"Phenobarbital sodium"	"DSSTox_21123"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C57410"	"57-41-0"	"5,5-Diphenylhydantoin"	"DSSTox_20541"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"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	0	0	0	0	0	0	0	0	0	0
"C576261"	"576-26-1"	"2,6-Dimethylphenol"	"DSSTox_24063"	0	0	0	0	0	0	0	0	0	0	0	38.2270667616648	0	0	0	0	0	0
"C57636"	"57-63-6"	"17alpha-Ethinylestradiol"	"DSSTox_20576"	101.875894154515	100.118677996234	99.4873538396552	147.907127542713	140.196053816288	117.367521768967	118.11011648763	98.5107091729637	100.295205960814	98.5599072286332	94.141100680336	80.816752145738	86.1830801304828	121.400096045562	91.28718878585	101.984295817786	0	0
"C577117"	"577-11-7"	"Docusate sodium"	"DSSTox_22959"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75.4407981381198	0
"C57749"	"57-74-9"	"Chlordane"	"DSSTox_20267"	0	0	0	0	0	0	0	51.268436528891	0	0	0	89.0750111182602	67.6501723147017	97.7894126950465	0	45.7113572917266	58.9792364454624	123.83460204495
"C57754855"	"57754-85-5"	"Clopyralid-olamine"	"DSSTox_34265"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C57830"	"57-83-0"	"Progesterone"	"DSSTox_22370"	30.4063585568393	89.1778231211975	0	0	0	0	0	0	0	0	0	56.7837119552858	70.925908253474	0	45.3402233180004	30.6519723533298	87.4754049674049	74.1046205484615
"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	0	112.98670257943	52.8614673752728	84.2326494831927	0	0	91.8921501889063	110.0719057565	90.3103019758112	121.12937136543	117.291271529388	0	0
"C57910"	"57-91-0"	"17alpha-Estradiol"	"DSSTox_22377"	175.564769106755	100.117562317282	97.0982920065883	126.605144761461	116.059700944582	117.306210015204	128.32747233591	110.830204021366	99.2958805384509	96.4599383105148	104.885099754356	102.903260477917	112.200194002868	114.404611813975	94.2537476172118	154.010485898907	0	65.7703954253999
"C579668"	"579-66-8"	"2,6-Diethylaniline"	"DSSTox_27218"	0	43.3033535230452	0	0	0	0	0	0	0	0	0	38.0579465716057	17.4131258959138	0	0	0	0	0
"C57966957"	"57966-95-7"	"Cymoxanil"	"DSSTox_32358"	0	0	0	0	0	0	0	0	0	0	0	0	30.6255262348357	0	0	0	0	0
"C57976"	"57-97-6"	"7,12-Dimethylbenz(a)anthracene"	"DSSTox_20510"	0	0	0	0	0	0	0	0	0	0	0	57.8615473432215	35.0640534671962	0	0	0	101.258126967776	0
"C58082"	"58-08-2"	"Caffeine"	"DSSTox_20232"	0	0	0	0	0	0	0	0	0	0	0	55.3617687908097	0	0	0	0	0	0
"C58140"	"58-14-0"	"Pyrimethamine"	"DSSTox_21217"	0	0	0	0	0	0	0	0	0	0	0	0	23.3128868090612	0	0	0	0	83.3975921938693
"C58184"	"58-18-4"	"17-Methyltestosterone"	"DSSTox_33664"	0	72.556449488828	0	0	0	40.0403753943518	54.0234216060013	66.7187448138612	89.5671843411802	0	0	98.8174676125367	84.0895073832617	103.429728131755	99.145523111171	94.028605720649	0	47.0470804370534
"C583788"	"583-78-8"	"2,5-Dichlorophenol"	"DSSTox_25003"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C58394642"	"58394-64-2"	"Benzyloctyl adipate"	"DSSTox_47528"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C584134"	"584-13-4"	"4-Amino-1,2,4-triazole"	"DSSTox_33058"	0	0	0	0	0	0	0	0	0	0	0	101.586785116893	81.0165713965662	0	0	37.2396071877316	0	0
"C58430947"	"58430-94-7"	"3,5,5-Trimethylhexyl acetate"	"DSSTox_41270"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C584792"	"584-79-2"	"Allethrin"	"DSSTox_35180"	0	0	0	0	0	0	0	0	0	0	0	0	22.904465490309	0	0	0	99.7508869463122	132.358798393293
"C584849"	"584-84-9"	"Toluene-2,4-diisocyanate"	"DSSTox_26156"	0	0	0	0	0	0	0	0	0	0	0	0	22.0008438880759	0	0	0	0	0
"C5850862"	"5850-86-2"	"C.I. Acid Orange 8, monosodium salt"	"DSSTox_41709"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C585342"	"585-34-2"	"3-tert-Butylphenol"	"DSSTox_44825"	0	0	0	45.9969005925455	0	131.898391095588	67.0953863451991	89.4081367400659	58.6573565449415	0	0	65.4024045250422	16.1146014054829	0	0	0	0	0
"C58559"	"58-55-9"	"Theophylline"	"DSSTox_21336"	0	0	0	0	0	0	0	0	0	0	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	0	0	0
"C586629"	"586-62-9"	"Terpinolene"	"DSSTox_27222"	0	0	0	0	0	0	0	0	0	0	0	39.733082053563	47.2082010841618	0	57.6412957499341	0	0	0
"C5870939"	"5870-93-9"	"Heptyl butanoate"	"DSSTox_42038"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C58720"	"58-72-0"	"Triphenylethylene"	"DSSTox_22320"	0	0	69.9244592960018	130.526302138734	182.184679333214	209.322883980393	211.012022191666	62.9583787201317	66.3988900941924	95.9713796207521	94.4506447313364	85.7586503398917	95.9560079000195	40.0356989540592	96.4050646887461	136.906848427278	51.0542781588379	0
"C587655"	"587-65-5"	"2-Chloro-N-phenylacetamide"	"DSSTox_41409"	0	0	0	0	0	0	0	0	0	0	48.5927651777508	0	0	0	0	0	41.2429199270218	0
"C587859"	"587-85-9"	"Diphenylmercury(II)"	"DSSTox_42130"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C58846778"	"58846-77-8"	"Decyl beta-D-glucopyranoside"	"DSSTox_41208"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	151.747793445637	0	0
"C58855"	"58-85-5"	"Biotin"	"DSSTox_22679"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C58866"	"58-86-6"	"D-Xylose"	"DSSTox_23745"	0	0	0	0	0	0	0	0	0	0	0	0	19.8160158560423	0	0	0	0	0
"C58899"	"58-89-9"	"Lindane"	"DSSTox_20686"	0	0	0	0	0	0	0	29.8077836698048	0	0	0	91.866196969487	28.2402855284517	0	0	0	0	0
"C58935"	"58-93-5"	"Hydrochlorothiazide"	"DSSTox_20713"	0	0	0	0	0	0	0	0	0	0	0	0	13.6703620420229	0	0	0	0	0
"C589684"	"589-68-4"	"Tetradecanoic acid, 2,3-dihydroxypropyl ester"	"DSSTox_42454"	0	0	0	77.3476364048537	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5902512"	"5902-51-2"	"Terbacil"	"DSSTox_24317"	0	0	0	0	0	0	0	0	0	0	0	0	16.1969301279542	0	0	0	0	0
"C59052"	"59-05-2"	"Methotrexate"	"DSSTox_20822"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C5915413"	"5915-41-3"	"Terbuthylazine"	"DSSTox_27608"	0	0	0	0	0	0	0	0	0	0	0	36.7117494817387	29.5949748835793	71.278734297087	108.613861669681	36.2816811478285	0	0
"C59227893"	"59227-89-3"	"Laurocapram"	"DSSTox_42086"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C59303"	"59-30-3"	"Folic acid"	"DSSTox_22519"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71.0658074186316	0	0	0
"C59405"	"59-40-5"	"Sulfaquinoxaline"	"DSSTox_42424"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32.1879433347947	0	0	0
"C594207"	"594-20-7"	"2,2-Dichloropropane"	"DSSTox_30060"	0	0	0	0	0	0	0	0	0	0	0	39.6190224534615	12.853574798583	0	0	0	0	0
"C59507"	"59-50-7"	"4-Chloro-3-methylphenol"	"DSSTox_21717"	0	33.5340619379616	0	0	0	132.018288666979	130.969632258303	108.634541119409	133.439149532226	0	0	98.8133069040832	42.6748288921995	0	0	0	0	0
"C59669260"	"59669-26-0"	"Thiodicarb"	"DSSTox_32578"	0	0	0	0	0	0	0	0	0	0	58.8549179205261	0	0	0	0	26.1636521635112	0	0
"C59676"	"59-67-6"	"Nicotinic acid"	"DSSTox_20932"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C59756604"	"59756-60-4"	"Fluridone"	"DSSTox_24107"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C598550"	"598-55-0"	"Methyl carbamate"	"DSSTox_20834"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C59870"	"59-87-0"	"Nitrofurazone"	"DSSTox_20944"	0	0	0	0	0	0	0	0	0	0	0	0	14.0877773974101	0	0	66.8000974137247	0	126.89616813511
"C599644"	"599-64-4"	"4-Cumylphenol"	"DSSTox_22536"	84.7743954350417	138.129720663537	0	188.128947380003	202.188529220151	184.775619623883	293.407196256915	113.601258983317	94.4014628969708	99.2379025161378	99.8119108284936	85.384531484642	51.628200129492	65.9306893673511	68.9191376466683	118.533934888969	42.4280645545694	0
"C599791"	"599-79-1"	"Sulfasalazine"	"DSSTox_21256"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C60093"	"60-09-3"	"4-Aminoazobenzene"	"DSSTox_24460"	0	0	0	0	26.5185080391911	52.8242233318845	145.059771429556	82.1947303111736	114.344170190902	0	0	80.7444895490912	61.3120763024015	0	97.7064716441455	0	64.5158240063717	0
"C60128"	"60-12-8"	"2-Phenylethanol"	"DSSTox_26342"	0	0	0	0	0	0	0	0	41.8684589771683	0	0	0	0	0	0	0	0	0
"C60168889"	"60168-88-9"	"Fenarimol"	"DSSTox_32390"	0	0	0	0	0	50.9395625569431	72.0599250847256	67.795376949839	58.6788086117274	0	47.6790000609436	120.278905102241	43.2367320473988	0	46.7051237811226	24.9748942432682	80.330081018916	0
"C602017"	"602-01-7"	"2,3-Dinitrotoluene"	"DSSTox_27236"	0	0	0	0	0	0	0	0	0	0	0	0	57.945231218238	0	0	62.4028734097753	0	0
"C60207901"	"60207-90-1"	"Propiconazole"	"DSSTox_24280"	0	0	0	0	0	0	0	0	0	0	0	36.6184989136232	17.968452895199	0	0	0	43.860553502215	71.5656872137369
"C60333"	"60-33-3"	"Linoleic acid"	"DSSTox_25505"	0	76.8636347484337	63.4814526697992	0	0	0	0	0	0	0	0	0	0	0	0	0	103.163718434121	0
"C603350"	"603-35-0"	"Triphenylphosphine"	"DSSTox_26251"	0	0	0	128.34987859619	0	187.749017739056	43.1307928882196	79.0825213265952	0	69.3792308132708	49.6179769673984	67.9071590699512	39.7035530572212	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	0	0	0	0	0	0	0	90.1889126682892	123.424009575815	0	0	0	0	0
"C60515"	"60-51-5"	"Dimethoate"	"DSSTox_20479"	27.7626806806464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29.2516392730684	0	0
"C605458"	"605-45-8"	"Diisopropyl phthalate"	"DSSTox_40731"	0	0	0	30.1073121844613	0	50.5356191569514	0	21.1579640028842	0	0	0	66.1293387537935	51.1711521672428	0	0	0	0	0
"C60548"	"60-54-8"	"Tetracycline"	"DSSTox_23645"	0	0	0	0	0	0	0	0	0	0	0	88.9701373405568	44.0743471367625	0	0	0	0	0
"C6055192"	"6055-19-2"	"Cyclophosphamide monohydrate"	"DSSTox_24888"	0	0	0	0	0	0	0	0	0	0	0	75.2030334436618	70.306246559849	0	112.167633496216	73.5714735124311	0	0
"C60560"	"60-56-0"	"Methimazole"	"DSSTox_20820"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38.9036173615374	0	0	0
"C60571"	"60-57-1"	"Dieldrin"	"DSSTox_20453"	0	0	0	0	0	0	0	23.9383230043975	0	35.2327735607292	0	51.6086573150375	23.9106432058495	0	0	0	0	0
"C606202"	"606-20-2"	"2,6-Dinitrotoluene"	"DSSTox_20528"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C6088513"	"6088-51-3"	"6-Hydroxy-2-naphthyl disulfide"	"DSSTox_25429"	36.6849958133134	78.4599841774151	31.4757965472202	91.601406773103	34.7013708988252	84.9702986797969	107.506709741388	118.419837193773	75.8199682608022	134.575070733748	180.919403020849	39.4819150157725	77.0696128996398	22.9191545685827	172.024515893496	72.4382517306927	125.507432996606	0
"C609541"	"609-54-1"	"2,5-Dimethylbenzenesulfonic acid"	"DSSTox_41641"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C611201"	"611-20-1"	"Benzonitrile, 2-hydroxy-"	"DSSTox_41661"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C611701"	"611-70-1"	"Isopropyl phenyl ketone"	"DSSTox_48202"	0	0	0	0	0	0	0	0	0	0	0	59.922643675932	101.691626767213	0	0	0	0	0
"C612828"	"612-82-8"	"3,3'-Dimethylbenzidine dihydrochloride"	"DSSTox_20511"	97.9769038655275	100.203861836678	130.063215649716	0	0	0	0	0	0	0	0	89.7943159274375	56.092101837914	39.6130774258374	0	75.4782042120819	0	0
"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"	0	0	0	0	0	0	0	0	0	0	0	0	22.0740248781202	0	0	0	100.903980218894	0
"C6152336"	"6152-33-6"	"Sodium 2-phenylphenate tetrahydrate"	"DSSTox_40794"	0	0	0	0	0	0	0	0	0	0	0	54.1219021463125	16.4634765892504	0	0	0	0	0
"C6153646"	"6153-64-6"	"Oxytetracycline dihydrate"	"DSSTox_23412"	0	0	0	0	0	0	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	0	107.133881832863	0	0	0
"C61734"	"61-73-4"	"Methylene blue"	"DSSTox_23296"	0	0	0	140.399247200852	0	4058.63943110539	69.2968148850074	835.992679702469	26.9401336443574	43.7902223273391	42.7755102038123	0	0	0	0	0	0	112.472113774782
"C61791126"	"61791-12-6"	"Cremophor(R) EL"	"DSSTox_47696"	0	0	0	0	0	0	0	0	0	0	0	51.6762677057627	31.2560997464495	0	0	0	0	0
"C61825"	"61-82-5"	"Amitrole"	"DSSTox_20076"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34.2480972140101	0	0	0
"C618451"	"618-45-1"	"3-Isopropylphenol"	"DSSTox_44571"	0	0	0	0	0	81.013875704093	0	57.3710031796973	39.9866668007977	0	0	68.653939239797	25.318028829637	0	0	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	34.8291340208984	0	0
"C620177"	"620-17-7"	"3-Ethylphenol"	"DSSTox_22480"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41.2925518026238	0	0	0
"C621647"	"621-64-7"	"N-Nitrosodipropylamine"	"DSSTox_21032"	0	0	26.4751920315608	0	0	0	0	0	0	0	0	0	45.9337808435012	0	0	0	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	0	0	0
"C622979"	"622-97-9"	"4-Methylstyrene"	"DSSTox_20889"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C62384"	"62-38-4"	"Phenylmercuric acetate"	"DSSTox_21150"	0	0	0	0	0	0	0	0	0	101.997678267253	80.0178051336015	0	0	41.976975688694	0	0	55.6437215322948	97.6945738295221
"C625558"	"625-55-8"	"Isopropyl formate"	"DSSTox_27258"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C62566"	"62-56-6"	"Thiourea"	"DSSTox_21348"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35.9858542271232	0	0
"C6259763"	"6259-76-3"	"Hexyl salicylate"	"DSSTox_38924"	0	0	0	0	0	64.3370162126616	0	0	0	0	0	48.0385091945003	77.3404080465975	0	53.065079404753	42.6561686044032	0	0
"C626437"	"626-43-7"	"3,5-Dichloroaniline"	"DSSTox_30307"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91.4354509728358	0	0	0
"C62737"	"62-73-7"	"Dichlorvos"	"DSSTox_20449"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0
"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	0	0	0	0
"C6285058"	"6285-05-8"	"Ethyl 4-chlorophenyl ketone"	"DSSTox_48203"	0	0	0	0	0	0	0	0	0	0	0	0	28.431327655806	0	0	0	0	0
"C628637"	"628-63-7"	"Pentyl acetate"	"DSSTox_27263"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C62924703"	"62924-70-3"	"Flumetralin"	"DSSTox_32553"	0	0	0	65.808446693539	0	49.896523916155	32.4247915889923	0	0	82.4234413332304	36.4945632116683	75.4631974042085	34.256510238474	0	77.0296005239194	91.9864061265025	83.8475145435231	0
"C629629"	"629-62-9"	"Pentadecane"	"DSSTox_27268"	0	0	0	0	0	0	0	0	0	0	0	0	22.9606168139256	0	0	0	0	0
"C629765"	"629-76-5"	"1-Pentadecanol"	"DSSTox_27270"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C630568"	"630-56-8"	"Hydroxyprogesterone caproate"	"DSSTox_43915"	0	0	0	0	0	0	64.7632544994388	20.6024319244528	41.1480858508404	0	0	0	0	0	0	69.052978905931	95.3672897299306	130.883663920422
"C63058"	"63-05-8"	"4-Androstene-3,17-dione"	"DSSTox_24523"	0	0	0	0	0	0	0	0	0	0	0	96.2716345078203	69.3131027686263	0	102.055944565042	75.8798578289042	0	0
"C6317186"	"6317-18-6"	"Methylene bis(thiocyanate)"	"DSSTox_25599"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	118.89865682664
"C63252"	"63-25-2"	"Carbaryl"	"DSSTox_20247"	0	0	0	0	0	0	0	47.1404343322131	39.862235121073	0	0	99.7561126602175	40.539423704307	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	0	24.1895122901583	0	0	0	0	0
"C63423"	"63-42-3"	"Lactose"	"DSSTox_23193"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C6344678"	"6344-67-8"	"3-Hydroxyfluorene"	"DSSTox_47540"	0	40.9705452893014	0	59.0043802997044	124.299715571141	116.491157664146	223.701467669395	119.037953091467	105.723550457855	0	0	43.4946369805922	45.6230379026318	69.4843206210221	83.9059995034543	0	0	0
"C63449412"	"63449-41-2"	"C8-18-Alkydimethylbenzyl ammonium chlorides"	"DSSTox_48122"	0	44.3879907132772	56.2762215333502	0	0	0	33.2591424827298	0	0	26.3752352544973	62.7798023878752	70.0910440837765	95.6286748445015	0	0	27.0951433312739	70.0832850413328	136.435200274556
"C6359826"	"6359-82-6"	"Acid Yellow 11"	"DSSTox_47451"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0
"C6359984"	"6359-98-4"	"C.I. Acid Yellow 17, disodium salt"	"DSSTox_41719"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	116.681644405199
"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	0	0
"C637070"	"637-07-0"	"Clofibrate"	"DSSTox_20336"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C6381777"	"6381-77-7"	"Sodium erythorbate (1:1)"	"DSSTox_20570"	0	0	0	0	0	0	0	0	0	0	0	97.3821614246708	78.321712531995	0	0	47.3408309172829	0	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	0	0	0	0	0	0	0	0	0
"C64359815"	"64359-81-5"	"4,5-Dichloro-2-octyl-3(2H)-isothiazolone"	"DSSTox_32315"	86.7058690740769	92.407764197118	89.4251663745227	0	0	0	0	0	0	0	0	0	44.433235507641	0	0	36.0540102625324	71.2193463508748	84.3591712357558
"C643798"	"643-79-8"	"1,2-Benzenedicarboxaldehyde"	"DSSTox_32514"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	124.791934093594	0
"C644973"	"644-97-3"	"Phenyl phosphorus dichloride"	"DSSTox_27282"	0	0	46.3204499962827	36.4857345225603	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C645567"	"645-56-7"	"4-Propylphenol"	"DSSTox_22100"	0	0	0	63.4670307404872	0	182.220630089557	126.987853176215	125.798872214762	76.3296260901484	0	0	57.775814479738	18.4948849089262	0	0	30.3393726158457	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"	52.8487976623607	90.2518739654845	90.1706550169294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	66.1473640505053
"C64675"	"64-67-5"	"Diethyl sulfate"	"DSSTox_24045"	0	0	0	0	0	0	0	0	0	0	0	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	0	24.5477909377448	0	0	0	0	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	0	0	0	0	0	79.4987116533404	0	0	20.8167328313399	0	0	0	0	0
"C6485401"	"6485-40-1"	"R-(-)-Carvone"	"DSSTox_41413"	0	0	0	0	0	0	0	0	0	98.6119776343603	0	0	16.1580598043643	0	0	24.5289023060661	0	0
"C64868"	"64-86-8"	"Colchicine"	"DSSTox_24845"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C648917139"	"648917-13-9"	"AVE2865"	"DSSTox_47376"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C65236"	"65-23-6"	"Pyridoxine"	"DSSTox_23541"	0	0	0	0	0	0	0	0	0	0	0	0	20.3602454304377	0	0	0	0	0
"C65277421"	"65277-42-1"	"Ketoconazole"	"DSSTox_29879"	0	0	32.0682383827798	0	0	0	0	0	0	87.3542526154856	0	0	0	25.4089349375331	0	47.3989289940955	91.0705504801518	131.542528716385
"C654055013"	"654055-01-3"	"Morin hydrate"	"DSSTox_40776"	0	93.9344313533782	0	0	0	0	0	0	0	0	0	71.969645894825	49.4651601295392	0	0	130.724289857999	55.5991698128516	0
"C65452"	"65-45-2"	"Salicylamide"	"DSSTox_21726"	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0
"C65850"	"65-85-0"	"Benzoic acid"	"DSSTox_20143"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38.2001032568842	0	0
"C6610293"	"6610-29-3"	"N-Methylhydrazinecarbothioamide"	"DSSTox_44390"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30.6743155204764	0
"C66215278"	"66215-27-8"	"Cyromazine"	"DSSTox_23999"	0	0	0	0	0	0	0	0	0	0	0	0	43.1937884172177	0	0	0	0	0
"C66230044"	"66230-04-4"	"Esfenvalerate"	"DSSTox_32667"	0	0	0	0	0	0	0	0	0	0	0	35.482219378457	0	0	0	0	0	0
"C6624733"	"6624-73-3"	"Pentane-1,5-diyl dibenzoate"	"DSSTox_47538"	0	0	0	0	0	0	35.4968758430989	23.1120179882256	37.1273612304754	0	0	0	0	0	0	0	0	0
"C6625463"	"6625-46-3"	"C.I. Acid Violet 12, disodium salt"	"DSSTox_41715"	0	0	0	0	0	0	0	0	0	0	0	30.4525964194908	17.3462403173552	0	0	0	0	58.7965232460246
"C66273"	"66-27-3"	"Methyl methanesulfonate"	"DSSTox_20845"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C66332965"	"66332-96-5"	"Flutolanil"	"DSSTox_24109"	0	0	0	0	0	0	0	0	0	0	0	0	16.312724905902	0	0	0	0	0
"C66357355"	"66357-35-5"	"Ranitidine"	"DSSTox_45191"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	84.2717161461389	0	0	0
"C66441234"	"66441-23-4"	"Fenoxaprop-ethyl"	"DSSTox_32392"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	64.2151796504794	0	50.1806142005972	0
"C66456539"	"66456-53-9"	"Adipic acid, polypropyleneglycol, laurate"	"DSSTox_47527"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C66575299"	"66575-29-9"	"Forskolin"	"DSSTox_40484"	0	0	0	0	0	0	0	0	0	0	0	34.27417263653	20.5125048204985	0	0	50.0082080375705	0	66.6094481486433
"C66717"	"66-71-7"	"1,10-Phenanthroline"	"DSSTox_25857"	0	0	37.014110306561	0	0	0	0	0	0	0	0	0	0	0	0	0	51.5943774398064	72.4068328556329
"C66819"	"66-81-9"	"Cycloheximide"	"DSSTox_24882"	0	116.967510559146	62.4756878071304	0	0	0	0	0	0	0	0	0	0	0	0	0	58.3307895124809	88.2442264771589
"C6683198"	"6683-19-8"	"Irganox 1010"	"DSSTox_27633"	0	0	0	0	0	0	0	0	0	0	0	37.7298198214915	67.4019559229988	83.3374535536601	87.5875682310814	93.5996708349139	0	0
"C668981020"	"668981-02-0"	"CP-863187"	"DSSTox_47294"	0	77.2506289580623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55.6267277685227	52.0782602412441
"C6706598"	"6706-59-8"	"L-Glucitol"	"DSSTox_42096"	0	0	0	0	0	0	0	0	0	0	0	42.5576680924713	69.4168274370122	0	0	23.9712371820667	0	0
"C67209"	"67-20-9"	"Nitrofurantoin"	"DSSTox_20972"	0	0	0	0	0	0	0	0	0	0	0	39.5124234135222	51.3937631497703	0	0	27.1199556512068	110.368536587541	0
"C6728263"	"6728-26-3"	"(2E)-2-Hexenal"	"DSSTox_41425"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C67301"	"67-30-1"	"Tetrac"	"DSSTox_48186"	0	0	0	0	0	0	0	0	0	58.526321543221	90.7378390155652	0	0	0	39.7193732934582	0	113.140276328721	0
"C6734801"	"6734-80-1"	"Metam-sodium hydrate"	"DSSTox_40361"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C67485294"	"67485-29-4"	"Hydramethylnon"	"DSSTox_23868"	0	47.9340330834613	0	0	0	0	0	0	0	0	0	82.78106192522	85.6014859872945	82.3560840911188	112.152586527599	53.1212463743659	102.275530689242	143.518711712
"C67564914"	"67564-91-4"	"(2R,6S)-Fenpropimorph"	"DSSTox_34601"	0	0	0	0	0	0	0	0	0	0	0	46.06740151901	0	0	0	0	0	0
"C676116044"	"676116-04-4"	"PD 0343701"	"DSSTox_47271"	0	37.6219836077436	0	0	0	0	0	0	0	82.783340128738	36.7932444680055	0	0	0	0	0	91.5108632710133	139.518995618861
"C67685"	"67-68-5"	"Dimethyl sulfoxide"	"DSSTox_21735"	0	0	0	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	0	0	0	0	0	0	0	0	0
"C67786145"	"67786-14-5"	"Acid Red 337"	"DSSTox_44713"	0	0	0	0	0	0	0	0	0	0	0	0	17.3855948714454	0	0	0	0	0
"C678397"	"678-39-7"	"1,1,2,2-Tetrahydroperfluoro-1-decanol"	"DSSTox_29904"	0	0	0	0	0	0	0	0	0	27.6704477911255	0	0	35.2817618203173	0	0	0	0	0
"C6789884"	"6789-88-4"	"Hexyl benzoate"	"DSSTox_25403"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C68111"	"68-11-1"	"Thioglycolic acid"	"DSSTox_26141"	0	0	0	0	0	0	0	0	0	0	0	73.3631024688923	91.589946513724	0	0	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	0	0	0	0	0	0	111.261650097899	133.316413726478
"C68169039"	"68169-03-9"	"2-(Dihydrocyclopentadienyloxy)ethyl methacrylate"	"DSSTox_41302"	0	0	0	0	0	0	31.5682181700905	0	0	0	0	0	0	0	0	0	0	0
"C682019"	"682-01-9"	"Tetrapropyl orthosilicate"	"DSSTox_42382"	0	0	0	0	0	72.0312692920411	0	0	0	0	0	0	0	0	0	0	0	0
"C68224"	"68-22-4"	"Norethindrone"	"DSSTox_23380"	93.6975427997174	93.3921113745306	78.4531047193112	83.1269091247408	95.7492233606559	91.5980183949913	95.8424133457342	78.50074950495	70.8922083040086	102.415948780988	89.6269010874035	108.793082018756	103.286974098766	85.9426835346969	93.6375108259934	142.834537168156	0	0
"C68268"	"68-26-8"	"Retinol"	"DSSTox_23556"	0	0	0	0	0	0	0	0	0	0	0	69.0574600599758	39.7573263933538	0	0	0	0	0
"C683181"	"683-18-1"	"Dibutyltin dichloride"	"DSSTox_27292"	0	0	0	0	0	0	0	0	0	142.037557005502	89.6186252231023	74.066537216912	36.643198418845	40.1302989163287	0	0	112.339748313689	108.139840458744
"C68359375"	"68359-37-5"	"Cyfluthrin"	"DSSTox_35957"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C68392358"	"68392-35-8"	"4-Hydroxytamoxifen"	"DSSTox_37094"	98.9868779833846	100.930671982566	98.4489793997092	148.191372301324	242.441422482775	217.999706317826	304.521313542312	170.095117989203	209.205349393539	99.7348392306515	115.057281453684	0	0	0	0	0	103.212329238471	97.5190879322144
"C6846500"	"6846-50-0"	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	"DSSTox_27635"	0	0	0	0	0	0	0	0	0	0	0	92.1432363829767	38.0908646600965	100.656063091587	98.7575991162869	0	0	0
"C684935"	"684-93-5"	"N-Nitroso-N-methylurea"	"DSSTox_21006"	0	0	0	0	0	0	45.7429872506239	0	0	0	25.1931250015759	0	0	0	0	24.0368267727228	0	0
"C68515480"	"68515-48-0"	"DINP branched"	"DSSTox_28665"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	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	0	0
"C68555862"	"68555-86-2"	"Acid Orange 156"	"DSSTox_44718"	0	0	0	0	0	0	0	0	0	0	0	0	21.9752099101353	0	0	0	0	0
"C68609972"	"68609-97-2"	"C12-14-Alkyl glycidyl ether"	"DSSTox_28774"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C68694111"	"68694-11-1"	"Triflumizole"	"DSSTox_32500"	0	0	0	0	0	0	0	0	0	0	0	0	16.6216952845032	0	0	0	79.8771246633607	125.400267449296
"C68917180"	"68917-18-0"	"Cornmint oil"	"DSSTox_47712"	0	0	0	0	0	0	0	0	0	0	0	43.9649212373997	0	0	0	0	0	0
"C6893023"	"6893-02-3"	"3,5,3'-Triiodothyronine"	"DSSTox_23216"	0	98.3721413761805	70.4319794178102	0	0	26.1849673174138	0	0	0	0	0	67.237216912958	68.3001072645615	0	0	134.443918148769	0	0
"C68959206"	"68959-20-6"	"Disiquonium chloride "	"DSSTox_35589"	0	0	0	0	0	0	41.6223490240082	0	0	72.4786321518705	112.755417326415	0	0	22.8043719126033	0	0	0	0
"C68962"	"68-96-2"	"17alpha-Hydroxyprogesterone"	"DSSTox_40747"	0	104.262605352778	0	0	0	0	0	0	0	0	0	107.465986724714	102.206728192265	0	0	151.946350761925	0	0
"C69090"	"69-09-0"	"Chlorpromazine hydrochloride"	"DSSTox_24827"	0	0	48.2281459866299	0	0	0	0	0	0	0	0	0	0	0	0	0	99.1674085076923	82.8651734277913
"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	0	0	0	0	0	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	0	0	0	0	0	0
"C69327760"	"69327-76-0"	"Buprofezin"	"DSSTox_34401"	0	0	0	0	0	0	0	41.3027683324114	0	0	0	0	0	0	0	0	75.6122465042793	69.7608449098443
"C69377817"	"69377-81-7"	"Fluroxypyr"	"DSSTox_34627"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C695067"	"695-06-7"	"gamma-Caprolactone"	"DSSTox_41298"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61.6307713987227	36.289446984323	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	55.4556719882902	0	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	35.8254708196019	0	0	0	0	0	0	0	29.6671949235634	0	52.2232169496097	82.3206256388987	0	78.3273914651361	0	0	0
"C69806402"	"69806-40-2"	"Haloxyfop-methyl"	"DSSTox_24123"	0	0	97.2880319480009	0	0	0	0	0	0	0	0	0	0	0	0	0	57.7403880993686	0
"C69806504"	"69806-50-4"	"Fluazifop-butyl"	"DSSTox_34612"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28.0176956232781	0	0
"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	24.3997183881993	0	0
"C705602"	"705-60-2"	"(2-Nitro-1-propenyl)benzene"	"DSSTox_41188"	0	0	0	0	0	0	0	0	0	63.0982655762616	105.953888403556	0	0	0	0	0	147.948218078229	0
"C70568604"	"70568-60-4"	"4-Butylcyclohexanol"	"DSSTox_48204"	0	0	0	0	0	0	0	0	0	0	0	0	17.0159257346454	0	0	0	0	0
"C706149"	"706-14-9"	"gamma-Decanolactone"	"DSSTox_22109"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C7080504"	"7080-50-4"	"Chloramine-T trihydrate"	"DSSTox_40795"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60.8047028653919	0	0	0
"C709988"	"709-98-8"	"Propanil"	"DSSTox_22111"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53.6421809460433
"C71238"	"71-23-8"	"1-Propanol"	"DSSTox_21739"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C712505"	"712-50-5"	"Cyclohexylphenylketone"	"DSSTox_48182"	0	0	0	33.0674243306951	0	108.993192401732	0	73.8725912113818	0	0	0	49.1562237578333	53.7184524852953	0	0	33.5681319838353	0	0
"C71283802"	"71283-80-2"	"Fenoxaprop-P-ethyl"	"DSSTox_34598"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77.6469027943268	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	0
"C7173515"	"7173-51-5"	"Didecyldimethylammonium chloride"	"DSSTox_32537"	0	106.864727716339	59.3509695748872	0	0	0	0	0	0	124.09302325255	103.348270301345	0	0	0	0	24.9120828308544	0	136.293035876887
"C71751412"	"71751-41-2"	"Abamectin"	"DSSTox_23892"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	111.578947053398	136.233974154153
"C717748"	"717-74-8"	"1,3,5-Triisopropylbenzene"	"DSSTox_41232"	0	0	0	0	0	0	0	0	0	0	0	37.2491222478295	20.4311541675922	0	0	0	0	0
"C7212444"	"7212-44-4"	"Nerolidol"	"DSSTox_22247"	0	0	0	0	0	0	0	0	0	0	0	0	26.3816600757405	0	0	0	0	0
"C72178020"	"72178-02-0"	"Fomesafen"	"DSSTox_24112"	0	0	0	0	0	0	0	0	0	0	0	0	17.808700804998	0	0	0	0	0
"C72208"	"72-20-8"	"Endrin"	"DSSTox_20561"	0	0	0	0	0	0	0	0	0	0	0	37.4576851170103	20.5424613810822	0	0	42.0757624202871	0	0
"C72333"	"72-33-3"	"Mestranol"	"DSSTox_20814"	87.3709126901017	104.040650194142	0	308.732653178596	172.646220266127	162.801968937358	194.972808423692	115.101428887608	99.8518292211713	109.856063817036	99.8297066301832	107.23264807712	97.3179175670742	82.140282729268	100.320375709278	122.304684185928	0	0
"C72435"	"72-43-5"	"Methoxychlor"	"DSSTox_20827"	0	68.2110186896768	0	102.735953539995	39.0422905237889	185.631692341952	106.276991185679	99.2225663880133	61.1181010419802	94.0107914819276	101.800997951725	65.4878107892965	71.1906414211128	0	78.5912116270847	94.24933863033	84.4328158260187	0
"C72490018"	"72490-01-8"	"Fenoxycarb"	"DSSTox_32393"	0	0	0	0	0	0	0	0	0	0	0	49.0300444983047	20.9613215566928	0	0	0	56.6213284448078	90.3355680660849
"C725228455"	"725228-45-5"	"AVE5638"	"DSSTox_47371"	0	0	0	0	0	0	27.3546097125283	0	0	0	0	77.5360031084772	21.2560157885357	0	0	0	117.256632729869	0
"C72548"	"72-54-8"	"p,p'-DDD"	"DSSTox_20373"	0	0	0	0	0	37.0002705542423	0	24.7865833922729	0	61.6216216057474	28.7922485761651	132.774235267467	93.2680311450833	0	34.7550537533291	0	0	0
"C72559"	"72-55-9"	"p,p'-DDE"	"DSSTox_20374"	0	0	0	40.6292692936873	0	152.561092997809	58.4325427942104	72.7070584810137	46.3020667560556	43.0360531011537	0	71.4878726297165	64.1545762165537	0	0	0	0	0
"C7287196"	"7287-19-6"	"Prometryn"	"DSSTox_24272"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C732116"	"732-11-6"	"Phosmet"	"DSSTox_24261"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	52.3393315991565	0	25.6531009590714	0	0	0	0	0	0	0	63.5387675020104	0	0
"C73314"	"73-31-4"	"Melatonin"	"DSSTox_22421"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C7378996"	"7378-99-6"	"N,N-Dimethyloctylamine"	"DSSTox_36299"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C7398698"	"7398-69-8"	"Dimethyldiallylammonium chloride"	"DSSTox_27650"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C74051802"	"74051-80-2"	"Sethoxydim"	"DSSTox_24304"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C74115245"	"74115-24-5"	"Clofentezine"	"DSSTox_23881"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C741582"	"741-58-2"	"Bensulide"	"DSSTox_32329"	0	0	0	0	0	0	0	30.3574878710644	0	0	0	0	0	0	0	0	72.2272331435119	74.7624086954463
"C742693385"	"742693-38-5"	"SSR504734"	"DSSTox_47348"	0	0	0	0	0	0	0	0	0	0	0	0	15.2710151844885	0	0	0	37.7343666740019	104.512313169533
"C744456"	"744-45-6"	"Diphenyl isophthalate"	"DSSTox_37752"	0	0	0	0	0	0	0	0	0	0	0	35.120324904917	52.6396836058733	0	98.8154511206827	0	0	0
"C7487947"	"7487-94-7"	"Mercuric chloride"	"DSSTox_20811"	0	0	0	0	0	0	0	0	0	28.3198596984271	0	0	0	0	0	0	73.1061724874046	0
"C75330755"	"75330-75-5"	"Lovastatin"	"DSSTox_20784"	0	0	0	0	0	0	0	0	0	0	0	35.2921492859405	16.1732862461991	0	0	0	0	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	0	0
"C7540514"	"7540-51-4"	"(S)-(-)-beta-Citronellol"	"DSSTox_41550"	0	0	0	0	0	0	0	0	0	0	0	37.6072222963047	0	0	0	0	0	0
"C754916"	"754-91-6"	"PFOSA"	"DSSTox_38939"	0	0	33.400314505289	37.8028682172652	0	93.3530700341513	0	39.0944497410689	0	46.2052073068243	97.0252850420743	54.850606008072	66.602562806735	38.4188117848938	0	0	69.4086862073891	68.5696508603099
"C75503"	"75-50-3"	"Trimethylamine"	"DSSTox_26238"	0	0	0	0	0	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	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	0	0	0
"C75865"	"75-86-5"	"2-Hydroxy-2-methylpropanenitrile"	"DSSTox_25427"	0	0	0	0	0	0	0	0	0	0	0	43.2288895579015	17.0765519455445	0	26.184524746006	0	0	0
"C75990"	"75-99-0"	"Dalapon"	"DSSTox_21575"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0
"C76039"	"76-03-9"	"Trichloroacetic acid"	"DSSTox_21378"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C762049"	"762-04-9"	"Diethyl phosphite"	"DSSTox_41861"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C7632000"	"7632-00-0"	"Sodium nitrite"	"DSSTox_20941"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C76448"	"76-44-8"	"Heptachlor"	"DSSTox_20679"	0	0	0	0	0	0	0	0	0	0	0	0	28.143096510642	0	0	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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40.9676772964156	0
"C7659861"	"7659-86-1"	"2-Ethylhexyl sulfanylacetate"	"DSSTox_27656"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C7664382"	"7664-38-2"	"Phosphoric acid"	"DSSTox_24263"	0	0	0	0	0	0	0	0	67.5597332488925	0	0	0	0	0	25.6827967424426	0	0	0
"C76738620"	"76738-62-0"	"Paclobutrazol"	"DSSTox_24242"	0	0	0	0	0	0	0	0	0	0	0	36.360214416667	0	0	0	0	0	0
"C7681767"	"7681-76-7"	"Ronidazole"	"DSSTox_45400"	0	0	0	0	0	0	0	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	0	0	0	105.519886075251	0	28.8573300653784	122.378479605209	105.510708565752
"C7696120"	"7696-12-0"	"Tetramethrin"	"DSSTox_32649"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70.9586872351023	0
"C769926"	"769-92-6"	"4-tert-Butylaniline"	"DSSTox_48181"	0	0	0	0	0	0	0	0	0	0	0	32.2762512687592	16.945619678183	0	30.5143262871816	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	0	0	0	0
"C77098"	"77-09-8"	"Phenolphthalein"	"DSSTox_21125"	82.310914132088	85.6836506726806	72.0022641068401	211.959150466423	208.647289682055	286.308440264479	276.281287215181	131.550161717287	149.713654595839	101.647197132661	104.464669822125	67.554109958341	47.5676514116172	0	274.124815211524	107.831154325609	115.51853601059	0
"C77407"	"77-40-7"	"Bisphenol B"	"DSSTox_22442"	78.7573339655779	97.2975134000488	94.6779620910289	179.693105543929	220.995447273377	204.569154325596	315.649183709753	142.745931411706	163.336356402131	99.1849893596242	92.7538244725628	85.8231342308535	40.6789106822312	0	103.583130447065	132.152069888314	84.0330735591977	0
"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	0	0	0	0	0	0	0	0	0	0
"C77474"	"77-47-4"	"Hexachlorocyclopentadiene"	"DSSTox_20688"	0	24.9196484089796	0	0	0	0	20.3627672130822	0	23.3682164786677	0	0	56.2771276551443	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	0	0	0	0	0	46.5103191066514	0	0	0
"C77501634"	"77501-63-4"	"Lactofen"	"DSSTox_24160"	0	0	0	0	0	0	0	0	0	0	0	59.9311992015872	38.1493879991678	0	0	0	81.0145751719728	0
"C7757791"	"7757-79-1"	"Potassium nitrate"	"DSSTox_29692"	0	0	0	0	0	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	47.3213889240005	57.2089722618983	0	0	37.8450766625792	0	0
"C7773060"	"7773-06-0"	"Ammonium sulfamate"	"DSSTox_23875"	0	0	0	0	0	0	0	0	0	81.1152269711719	0	0	0	0	0	0	0	0
"C77736"	"77-73-6"	"Dicyclopentadiene"	"DSSTox_25023"	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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	0	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	46.944741021054	0	71.967162978184	0	41.9941237719497	0	91.5565869960659	0	0	0	0	0	0	0
"C7785264"	"7785-26-4"	"(-)-alpha-Pinene"	"DSSTox_29290"	0	0	0	0	0	0	0	0	0	58.6054122058315	118.970924667163	0	0	0	0	0	0	0
"C77861"	"77-86-1"	"Tromethamine"	"DSSTox_23723"	0	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	0	45.8008598846246	0	0	0
"C77907"	"77-90-7"	"Acetyl tributyl citrate"	"DSSTox_26446"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"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	49.0917532227247	0	0
"C78079"	"78-07-9"	"Ethyltriethoxysilane"	"DSSTox_41962"	0	0	0	0	0	0	0	0	42.4415286130184	0	0	0	0	0	0	0	0	0
"C78115"	"78-11-5"	"Pentaerythritol tetranitrate"	"DSSTox_23430"	0	44.3465813294517	0	0	0	0	0	0	0	0	0	36.9312195438282	48.8969842780295	0	0	37.8585772443941	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	35.158423228558	0	0
"C78422"	"78-42-2"	"Tris(2-ethylhexyl) phosphate"	"DSSTox_21414"	0	0	0	0	0	0	0	0	0	0	0	0	36.115275018457	0	0	70.4344724987675	0	0
"C78473719"	"78473-71-9"	"Enterolactone"	"DSSTox_48183"	0	53.8651592952466	0	0	0	38.9772918374042	25.6865358068474	60.3008713653302	48.0315753514563	38.7114015286313	75.7441856853646	0	0	0	46.4187648026248	68.4195929990641	0	0
"C78488"	"78-48-8"	"Tribufos"	"DSSTox_24174"	0	0	0	0	0	0	0	0	0	0	0	45.8084214257312	31.6915234771615	0	0	0	0	0
"C78491028"	"78491-02-8"	"Diazolidinyl urea"	"DSSTox_29559"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C78513"	"78-51-3"	"Tris(2-butoxyethyl) phosphate"	"DSSTox_21758"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	279.563116579912	0	0
"C78587050"	"78587-05-0"	"Hexythiazox"	"DSSTox_24299"	30.3727570614822	0	0	0	0	0	0	0	0	0	0	32.2959777702065	0	0	0	0	49.5175919843086	96.6868293328251
"C78591"	"78-59-1"	"Isophorone"	"DSSTox_20759"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C78637"	"78-63-7"	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	"DSSTox_25110"	0	0	0	0	0	0	0	0	0	44.5300759285368	0	77.2191669333657	22.700573166807	0	0	0	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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C78820"	"78-82-0"	"2-Methylpropanenitrile"	"DSSTox_26461"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48.2016200628805	0	0
"C789026"	"789-02-6"	"o,p'-DDT"	"DSSTox_22345"	0	0	0	81.730111761609	89.3135854472914	107.297028031861	89.4122397087919	43.77630626543	38.6730619391368	106.924872384368	89.719931857836	47.9942786164345	98.184772581355	55.8730699421182	103.331592348875	111.06078694269	0	0
"C78966"	"78-96-6"	"1-Amino-2-propanol"	"DSSTox_21764"	0	0	44.64231708118	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C79141"	"79-14-1"	"Glycolic acid"	"DSSTox_25363"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C79163"	"79-16-3"	"N-Methylacetamide"	"DSSTox_47167"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C79241466"	"79241-46-6"	"Fluazifop-P-butyl"	"DSSTox_34855"	0	0	0	0	0	0	0	0	0	32.0772946838495	0	0	29.4489090323882	0	54.9069687601345	84.8131965432053	0	0
"C79243"	"79-24-3"	"Nitroethane"	"DSSTox_20969"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26.0278064708747	0	0
"C79277273"	"79277-27-3"	"Thifensulfuron-methyl"	"DSSTox_24124"	0	0	0	0	0	0	0	0	0	0	0	0	55.1045424494718	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	0	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	0	0	0	0	0	0	55.8791155976085	0	0
"C79538322"	"79538-32-2"	"Tefluthrin"	"DSSTox_32577"	0	0	0	0	0	0	0	0	0	0	0	50.9916368894987	0	0	0	0	0	0
"C79572"	"79-57-2"	"Oxytetracycline"	"DSSTox_34260"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C79622596"	"79622-59-6"	"Fluazinam"	"DSSTox_32551"	0	0	0	0	0	0	0	0	0	52.1350496126621	0	0	0	38.7551333811088	0	0	107.214974769252	127.942588952855
"C797637"	"797-63-7"	"Norgestrel"	"DSSTox_36496"	24.5195644998958	51.4114378364655	0	0	0	0	0	0	0	101.659611778222	94.1215089822343	102.442846682378	65.100106010155	96.4774697928918	101.199346646913	60.4816512935692	0	0
"C79902639"	"79902-63-9"	"Simvastatin"	"DSSTox_23581"	0	0	0	0	0	0	0	0	0	0	0	0	41.6796907565473	0	0	0	0	0
"C79925"	"79-92-5"	"2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane"	"DSSTox_26488"	0	0	0	0	0	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	32.4010330104751	32.85549355397	0	0	0	0	0	0	0	0	59.5231873583962	0	0	0	0	73.1572790603583	0
"C79958"	"79-95-8"	"2,2',6,6'-Tetrachlorobisphenol A"	"DSSTox_21770"	49.3524283918519	78.4966184422648	60.880834468865	90.0262846235159	41.9698552157992	57.2807674161865	52.2086757515918	0	0	43.1775282583121	26.1510518736221	81.392974116436	49.533104039422	24.392147936186	37.2887305786474	75.0287533661173	79.4120915492176	0
"C79983714"	"79983-71-4"	"Hexaconazole"	"DSSTox_34653"	0	0	0	0	0	0	0	0	0	31.1361804953808	0	59.0298751181462	28.1008571725595	0	0	0	85.3413045219411	87.0429257084877
"C8000348"	"8000-34-8"	"Clove leaf oil"	"DSSTox_44175"	0	0	0	0	0	0	0	0	0	0	0	39.7986323298535	0	0	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	0	106.754114213801	0	0	0	0	0	0	37.7030740874266	0	0	0	0	0	0	87.6917957076589	140.389530421222
"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	0	0	0	45.2511766812984	0	0
"C80057"	"80-05-7"	"Bisphenol A"	"DSSTox_20182"	84.0675821985134	93.9843110382425	88.5456174212654	170.644124872146	238.831310260971	172.654324328817	253.833921748098	112.907696047015	162.182040307213	103.402843645508	88.2724085211094	142.375149805454	60.2297129941395	31.8116345468136	99.233400043643	110.973510782297	178.846632964253	0
"C8006904"	"8006-90-4"	"Peppermint oil"	"DSSTox_21113"	0	0	0	0	0	0	0	0	0	0	0	30.7302492052917	0	0	76.069028873274	0	0	0
"C8007703"	"8007-70-3"	"Anise oil"	"DSSTox_24528"	0	67.5025217596647	40.5157212027722	61.5110499780166	42.2954105908287	85.027265679239	114.941640281337	75.3990797771659	43.7173299449086	0	0	0	13.1949497947968	0	45.2286459679566	0	0	0
"C80079"	"80-07-9"	"4,4'-Dichlorodiphenyl sulfone"	"DSSTox_24986"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	84.3762616481783
"C80080"	"80-08-0"	"Dapsone"	"DSSTox_20371"	0	0	0	0	0	0	0	0	0	0	0	0	21.0578880362503	0	64.2139415269562	0	0	0
"C80091"	"80-09-1"	"4,4'-Sulfonyldiphenol"	"DSSTox_22409"	66.9678396302184	96.4270207440379	0	98.347269766593	104.398411007531	126.713949703793	123.485165709904	101.755602180669	129.950695468371	91.312499488401	82.193728388306	70.6294240378668	81.0398666575312	77.5395587883048	106.041157279105	267.013908103051	0	0
"C80159"	"80-15-9"	"Cumene hydroperoxide"	"DSSTox_24869"	0	0	0	0	0	0	0	0	0	0	0	46.502445904616	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	0	0	0	0
"C80262"	"80-26-2"	"alpha-Terpinyl acetate"	"DSSTox_26496"	0	0	0	0	0	0	0	0	0	0	0	68.5734223181617	63.7903575272355	0	57.9176846987376	0	0	0
"C80273"	"80-27-3"	"Terpinyl propionate"	"DSSTox_44833"	0	0	0	0	0	0	0	0	0	0	0	65.0590474397888	39.1918563526945	0	0	0	0	0
"C80433"	"80-43-3"	"Dicumyl peroxide"	"DSSTox_25017"	0	0	0	130.943099687229	0	353.43664538119	56.0905966735668	59.0298810103018	41.7145804497202	99.0464363776468	88.0322212003957	103.499406885127	59.3732207945982	35.4171434852603	73.321730877611	46.1180163206224	0	0
"C80466"	"80-46-6"	"4-(2-Methylbutan-2-yl)phenol"	"DSSTox_21771"	0	0	41.4823711145855	144.030126262544	82.7407805449516	183.868583031197	167.244248639833	145.287356320489	128.866839326436	84.9803325358855	88.0462214512089	123.71825284257	54.2501510400047	0	48.7372029627824	100.627704097778	0	0
"C80546"	"80-54-6"	"3-(4-tert-Butylphenyl)-2-methylpropanal"	"DSSTox_26500"	0	0	0	0	0	0	21.9459646235266	0	0	0	0	59.9790356733543	49.229096787013	0	0	0	0	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	0	0	0	0	0	0	0	0
"C81072"	"81-07-2"	"Saccharin"	"DSSTox_21251"	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0	0
"C81335377"	"81335-37-7"	"Imazaquin"	"DSSTox_24152"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C81335775"	"81335-77-5"	"Imazethapyr"	"DSSTox_24287"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C81405858"	"81405-85-8"	"Imazmethabenz"	"DSSTox_32412"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C81406373"	"81406-37-3"	"Fluroxypyr-meptyl"	"DSSTox_34303"	0	0	0	0	0	28.1840355886313	0	0	0	0	0	0	18.6657446202191	0	45.3002964779569	0	0	0
"C81741288"	"81741-28-8"	"Tributyltetradecylphosphonium chloride"	"DSSTox_34997"	88.0963923842389	104.958785509973	28.6927436765903	0	0	0	0	0	0	56.8354178294388	62.7797311275805	0	0	84.7668905978388	0	170.422826436069	76.6330015571421	107.339400806459
"C81777891"	"81777-89-1"	"Clomazone"	"DSSTox_32355"	0	0	0	0	0	0	0	0	0	0	0	31.7627614911857	29.007248292451	0	0	0	0	0
"C81812"	"81-81-2"	"Warfarin"	"DSSTox_23742"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C818611"	"818-61-1"	"2-Hydroxyethyl acrylate"	"DSSTox_22123"	0	0	0	0	0	0	0	0	0	0	0	0	0	57.8082212211217	100.976535715366	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	38.353572617054	0
"C81903"	"81-90-3"	"Phenolphthalin"	"DSSTox_22439"	56.7435998479172	86.7899320026207	0	0	0	0	0	0	0	0	0	98.5402935932247	41.3816228813625	0	0	0	0	0
"C822060"	"822-06-0"	"1,6-Diisocyanatohexane"	"DSSTox_24143"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C82385420"	"82385-42-0"	"Sodium saccharin hydrate"	"DSSTox_21992"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91.4287782744368	111.363006117083	0	0
"C824395"	"824-39-5"	"Sodium 2-nitrophenolate"	"DSSTox_35616"	0	0	0	0	0	0	0	0	0	0	0	0	37.9190726567023	0	0	0	0	0
"C82469792"	"82469-79-2"	"Butyryl trihexyl citrate"	"DSSTox_47535"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44.621532562513	0	0
"C824782"	"824-78-2"	"Sodium 4-nitrophenolate"	"DSSTox_27320"	0	0	0	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	0	0	0	0	0	0	0	0	0	0
"C82640048"	"82640-04-8"	"Raloxifene hydrochloride"	"DSSTox_34181"	96.651729076098	98.0033156672771	78.6689372470476	270.364083315367	374.008333080501	218.495687339271	434.17355531741	189.797216421188	203.914297502119	128.393264095215	135.066265191623	0	0	0	0	76.8289867616617	119.635274847156	99.5944465040576
"C82657043"	"82657-04-3"	"Bifenthrin"	"DSSTox_20160"	0	0	0	0	0	0	0	0	0	0	0	67.248444265584	20.0806406390891	0	0	0	0	99.2279927901042
"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	0	0	0	28.4804629426289	72.0099909238768	33.8607908994583	0	0	0	0	0
"C827190"	"827-19-0"	"Sodium 2,5-dimethylbenzenesulfonate"	"DSSTox_44578"	0	0	0	0	0	0	0	0	0	0	0	0	0	100.057628976686	75.7913766489331	0	0	0
"C827214"	"827-21-4"	"Benzenesulfonic acid, 2,4-dimethyl-, sodium salt"	"DSSTox_41639"	0	0	0	0	37.3241728203097	0	86.1104343252084	45.2054793595446	80.4106674732535	0	95.1619227545644	0	0	0	0	0	0	0
"C828002"	"828-00-2"	"Dimethoxane"	"DSSTox_20480"	0	0	0	0	0	0	0	0	0	0	0	0	30.3331282413582	0	0	0	0	0
"C83329"	"83-32-9"	"Acenaphthene"	"DSSTox_21774"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C83410"	"83-41-0"	"1,2-Dimethyl-3-nitrobenzene"	"DSSTox_25132"	0	0	0	0	0	0	0	0	0	0	0	36.5460722622367	15.1334368502941	0	0	0	0	0
"C834128"	"834-12-8"	"Ametryn"	"DSSTox_23869"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C83657243"	"83657-24-3"	"Diniconazole"	"DSSTox_40363"	0	0	0	0	0	0	0	0	0	63.4407398438155	0	0	0	0	0	0	82.4622513267299	97.102761543919
"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	0	0	0	0	205.264589063639	75.2554674300259	106.250100722208
"C83834597"	"83834-59-7"	"2-Ethylhexyl trans-4-methoxycinnamate"	"DSSTox_47205"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C83885"	"83-88-5"	"Riboflavin"	"DSSTox_21777"	0	35.3217642863892	0	0	0	0	0	0	0	0	0	0	0	0	30.3890586633279	0	74.9915328812749	0
"C838857"	"838-85-7"	"Diphenyl phosphate"	"DSSTox_48207"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C838880"	"838-88-0"	"4,4'-Methylenebis(2-methylaniline)"	"DSSTox_20867"	0	62.7611564071244	0	63.7344240114852	102.242951281833	179.800310459043	193.101486669508	51.9954930150438	61.7131362658529	47.8239607466756	0	42.2752063259482	13.3813923973012	0	0	35.4221065254941	0	0
"C84087014"	"84087-01-4"	"Quinclorac"	"DSSTox_32641"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C84162"	"84-16-2"	"meso-Hexestrol"	"DSSTox_22381"	146.701662902574	100.241252822809	100.150941894351	131.755075885566	143.064719957036	103.938791904563	133.949715204817	81.0393324803385	85.1689265554932	107.932482877004	90.0003281294602	89.344390243793	108.062457295593	103.120633534716	85.4882166590136	172.434024187036	103.598669842967	96.0866735729206
"C842079"	"842-07-9"	"C.I. Solvent Yellow 14"	"DSSTox_21135"	0	0	0	0	0	0	0	0	0	0	0	108.366596279102	110.143020944811	0	123.127079022951	52.3156111548196	0	0
"C84371653"	"84371-65-3"	"Mifepristone"	"DSSTox_23322"	51.5190274129161	83.6859054581971	0	102.749515101186	101.521943737444	178.503325935245	175.712621719308	114.275600291282	126.993193959483	81.9512195048345	107.148816599322	0	0	0	0	33.8386619075827	156.553743791655	125.310619422367
"C84617"	"84-61-7"	"Dicyclohexyl phthalate"	"DSSTox_25021"	0	0	0	99.5067678283397	0	288.642951161325	0	26.4204107076505	0	22.4454227647394	0	34.6932195740535	24.9770869493354	0	0	0	72.8723044159179	0
"C84662"	"84-66-2"	"Diethyl phthalate"	"DSSTox_21780"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C84695"	"84-69-5"	"Diisobutyl phthalate"	"DSSTox_22522"	0	0	0	64.1874055808508	0	84.3955854038036	37.9755722791461	51.8999451550393	0	98.9614303707751	58.9736980573696	0	31.4268138802475	0	0	0	0	0
"C84742"	"84-74-2"	"Dibutyl phthalate"	"DSSTox_21781"	0	0	0	86.129691878405	45.8269624076213	144.079218070527	63.9823895380074	51.3476995890466	33.5287860965022	76.6422991288797	68.5507614838852	0	15.7547420946984	0	0	0	0	0
"C84753"	"84-75-3"	"Dihexyl phthalate"	"DSSTox_25068"	0	0	0	0	0	63.8175587318347	0	24.9163267046223	0	0	0	29.685804080799	14.6431102159112	0	0	0	0	0
"C84852153"	"84852-15-3"	"4-Nonylphenol, branched"	"DSSTox_29055"	95.8994290135837	83.532617635797	76.5689521706345	140.040978521297	113.616816000167	132.94841264699	143.398438697743	69.9688796997555	93.2026163338988	127.060704206849	92.516415451525	85.6360891041122	93.7546031187917	74.4296349509949	107.000504798377	100.955974260797	0	0
"C85018"	"85-01-8"	"Phenanthrene"	"DSSTox_24254"	0	0	0	0	0	39.1687832510342	0	0	0	0	0	0	0	0	0	0	0	0
"C851916422"	"851916-42-2"	"MK-812"	"DSSTox_47335"	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0	0
"C85405"	"85-40-5"	"1,2,3,6-Tetrahydrophthalimide"	"DSSTox_26513"	0	0	0	0	51.449335045727	0	0	0	0	0	0	0	0	0	0	0	0	0
"C85416"	"85-41-6"	"Phthalimide"	"DSSTox_26514"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C85507795"	"85507-79-5"	"Phthalic acid, diundecyl ester, branched and linear"	"DSSTox_29565"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41.1777856414547	0	0
"C85509199"	"85509-19-9"	"Flusilazole"	"DSSTox_24235"	0	0	0	0	0	0	0	0	0	0	0	38.273334276044	0	0	0	0	52.5449762881686	65.4674204068602
"C85532758"	"85532-75-8"	"PK 11195"	"DSSTox_41097"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C85687"	"85-68-7"	"Butyl benzyl phthalate"	"DSSTox_20205"	0	0	0	123.610280295174	92.1819682672184	134.59568373568	108.907945951578	60.5226435365396	68.6327638175342	103.671624808878	104.964394381157	36.784529351186	48.2513513805293	31.2461592105729	103.253388111767	70.5170252369302	0	0
"C860220"	"860-22-0"	"C.I. Acid Blue 74"	"DSSTox_20190"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"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	0	0	61.7335933305072	36.4648434363917	49.3312684721582	0	0	0	80.2012778957807	52.0392443331332	0	0	0	0	0
"C86386734"	"86386-73-4"	"Fluconazole"	"DSSTox_20627"	0	0	0	0	0	0	0	0	0	0	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	0	0	0
"C86479063"	"86479-06-3"	"Hexaflumuron"	"DSSTox_32620"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28.4852712715735	0	0	0
"C86500"	"86-50-0"	"Azinphos-methyl"	"DSSTox_20122"	0	0	0	0	0	0	0	0	0	0	0	66.0454607605555	0	0	0	0	0	69.2941351288638
"C86737"	"86-73-7"	"Fluorene"	"DSSTox_24105"	0	0	0	0	0	0	0	0	0	0	0	41.5659937071418	27.0409044526118	0	0	42.3389112932182	0	0
"C86873"	"86-87-3"	"1-Naphthaleneacetic acid"	"DSSTox_20915"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C868859"	"868-85-9"	"Dimethyl hydrogen phosphite"	"DSSTox_20493"	0	0	0	0	38.8244719632628	0	81.654262495311	44.5643259217202	82.2910363864834	113.140014933613	86.4510438439833	0	0	0	0	0	0	0
"C87014"	"87-01-4"	"7-(Dimethylamino)-4-methylcoumarin"	"DSSTox_41422"	0	0	0	0	0	0	0	0	0	0	0	0	0	105.222172556838	0	0	0	0
"C87183"	"87-18-3"	"4-tert-Butylphenyl salicylate"	"DSSTox_37745"	0	0	0	0	148.989792995594	72.9848569378756	23.8947214877965	0	0	0	0	69.9909553612662	52.527269853824	0	87.2567924611614	0	0	0
"C87241"	"87-24-1"	"Ethyl 2-methylbenzoate"	"DSSTox_40711"	0	0	0	0	0	0	0	0	75.5574257718156	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	0	0	0	0	0	0	0	0	0	0	37.706973890469	0	0	0	0	0	0
"C87546187"	"87546-18-7"	"Flumiclorac-pentyl"	"DSSTox_32554"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	44.9941918996651	0	0
"C87627"	"87-62-7"	"2,6-Dimethylaniline"	"DSSTox_26307"	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	94.085453770048	0
"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	26.2642283473559	0	0
"C87694"	"87-69-4"	"L-Tartaric acid"	"DSSTox_23632"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	60.9985651134369	0	57.7548224610971	0	0	0	87.2080204253525	34.7731059482235	0	0	0	0	0
"C87820880"	"87820-88-0"	"Tralkoxydim"	"DSSTox_34973"	0	0	0	0	0	0	0	0	0	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	0	0	0	0	66.7909768185659	0
"C87901"	"87-90-1"	"Symclosene"	"DSSTox_26523"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C88040"	"88-04-0"	"4-Chloro-3,5-dimethylphenol"	"DSSTox_32316"	0	51.2460008195676	0	42.2218175135486	0	108.191684622266	45.7142844656392	140.588240604215	98.952896704487	0	0	60.0608955005922	29.7998164190055	0	0	0	0	0
"C88062"	"88-06-2"	"2,4,6-Trichlorophenol"	"DSSTox_21386"	0	0	0	0	0	0	0	0	0	0	0	45.8787759287725	0	0	0	37.4970576545612	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	0	0	0	0
"C88186"	"88-18-6"	"2-tert-Butylphenol"	"DSSTox_26525"	0	0	0	0	0	0	0	54.9628528749214	0	0	0	68.8792461790865	0	0	0	0	0	0
"C88244"	"88-24-4"	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	"DSSTox_38864"	0	0	0	0	0	0	0	0	0	0	0	0	0	137.722034326616	0	0	94.7642224665029	108.881105483944
"C88302"	"88-30-2"	"3-Trifluoromethyl-4-nitrophenol"	"DSSTox_21788"	0	65.6344388929194	40.0517364602356	0	0	132.269618266898	0	51.9480850580497	0	0	38.0796527608795	47.0179861442207	51.0934246101305	0	0	0	0	128.775814197379
"C88415"	"88-41-5"	"2-tert-Butylcyclohexyl acetate"	"DSSTox_36105"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C88584"	"88-58-4"	"2,5-Di-tert-butylbenzene-1,4-diol"	"DSSTox_41248"	0	0	0	0	0	0	0	0	0	0	0	0	15.0245194999714	0	0	0	77.4096915061762	107.463240497745
"C88608"	"88-60-8"	"2-tert-Butyl-5-methylphenol"	"DSSTox_26529"	0	0	0	0	0	30.1006496118548	0	61.1785660482599	0	0	0	49.8575391540045	24.2192112317868	0	49.8353413039603	0	0	0
"C88671890"	"88671-89-0"	"Myclobutanil"	"DSSTox_24315"	0	0	0	0	0	0	0	0	0	0	0	30.968166370922	16.0814922424777	0	0	0	0	0
"C88697"	"88-69-7"	"2-Isopropylphenol"	"DSSTox_44391"	0	0	0	0	0	0	0	0	0	0	0	36.0339872817302	0	0	0	0	0	0
"C88722"	"88-72-2"	"2-Nitrotoluene"	"DSSTox_25791"	0	0	0	0	0	0	0	0	0	0	0	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	15.0405184166829	0	0	0	0	0
"C88755"	"88-75-5"	"2-Nitrophenol"	"DSSTox_21790"	0	0	100.428415358243	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C88857"	"88-85-7"	"Dinoseb"	"DSSTox_20207"	0	0	0	0	0	0	0	0	0	0	0	44.2205156487718	0	0	0	0	59.5503454225983	106.153679744788
"C89043"	"89-04-3"	"Trioctyl trimellitate"	"DSSTox_47533"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C89714"	"89-71-4"	"Methyl 2-methylbenzoate"	"DSSTox_48208"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C89725"	"89-72-5"	"2-(Butan-2-yl)phenol"	"DSSTox_22331"	0	0	0	0	0	0	0	0	0	0	0	76.0479344722557	18.4702390049275	0	0	0	0	0
"C89781"	"89-78-1"	"dl-Menthol"	"DSSTox_20805"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C89838"	"89-83-8"	"Thymol"	"DSSTox_34972"	0	0	0	0	0	0	0	55.6563669661614	0	0	0	36.4052751256372	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	0	54.8662498207291	77.8276108791372	0	0
"C90006"	"90-00-6"	"2-Ethylphenol"	"DSSTox_22479"	33.6792594122679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C90028"	"90-02-8"	"Salicylaldehyde"	"DSSTox_21792"	0	0	0	0	182.398910087982	0	92.8095520978217	0	0	0	0	0	18.6796646250405	0	56.527497783904	64.6967255311835	0	0
"C9003116"	"9003-11-6"	"Pluronic F-127"	"DSSTox_47597"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C90040"	"90-04-0"	"2-Anisidine"	"DSSTox_23877"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C9004824"	"9004-82-4"	"Sodium lauryl polyoxyethylene ether sulfate"	"DSSTox_29298"	0	108.643217742356	128.713978875455	0	25.2578797787152	0	30.0884955468544	0	0	63.0747651772239	89.6252781104178	0	0	0	0	41.7104582146288	57.5438467876754	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	0	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	0	0	0	0	0	0	0	0	0
"C90120"	"90-12-0"	"1-Methylnaphthalene"	"DSSTox_20877"	0	0	0	0	0	0	0	0	0	0	0	0	19.5181242377797	0	0	0	0	0
"C90153"	"90-15-3"	"1-Naphthol"	"DSSTox_21793"	0	0	0	0	0	46.6524883323236	187.61079949352	88.9294946186738	117.94050327417	0	0	60.1879482128788	33.6808933722953	0	0	0	0	0
"C9016006"	"9016-00-6"	"Polydimethylsiloxane"	"DSSTox_23833"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C9016879"	"9016-87-9"	"Isocyanic acid, polymethylenepolyphenylene ester"	"DSSTox_47473"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C90302"	"90-30-2"	"N-Phenyl-1-naphthylamine"	"DSSTox_25892"	0	0	0	0	0	0	0	0	0	0	0	65.8710233062615	34.6248996635605	0	69.820744120589	0	0	0
"C90357065"	"90357-06-5"	"Bicalutamide"	"DSSTox_22678"	0	72.9511032309801	98.3400070909985	0	0	0	50.4252769502652	0	43.0738359485974	0	64.3265055682288	0	0	0	0	0	51.3001878119883	0
"C90437"	"90-43-7"	"2-Phenylphenol"	"DSSTox_21151"	0	0	0	0	0	67.6595726209053	0	30.574691896098	0	0	0	75.1016246603768	33.4738310181822	0	0	0	0	0
"C90722"	"90-72-2"	"2,4,6-Tris(dimethylaminomethyl)phenol"	"DSSTox_26548"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36.1137319797466	0	0
"C90823384"	"90823-38-4"	"Denatonium saccharide"	"DSSTox_34361"	0	0	0	0	0	0	22.8875292432875	0	37.6776969690642	0	0	0	0	0	0	0	0	0
"C90948"	"90-94-8"	"Michler's ketone"	"DSSTox_20894"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44.5410593756606	0
"C91082176"	"91082-17-6"	"C10-21 sulfonic acids phenyl esters"	"DSSTox_47526"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C91203"	"91-20-3"	"Naphthalene"	"DSSTox_20913"	0	0	0	0	0	0	0	0	0	0	0	57.5333908322572	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	0	0	0	0
"C91465086"	"91465-08-6"	"lambda-Cyhalothrin"	"DSSTox_32559"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C91532"	"91-53-2"	"Ethoxyquin"	"DSSTox_20582"	0	44.9628512644165	0	0	0	0	0	0	0	0	0	65.8274061714063	20.8655963830248	0	0	0	0	0
"C91598"	"91-59-8"	"2-Naphthylamine"	"DSSTox_20921"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0	0	0	0
"C91667"	"91-66-7"	"N,N-Diethylaniline"	"DSSTox_21800"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50.6586487933478	0	0	0
"C919302"	"919-30-2"	"3-Aminopropyltriethoxysilane"	"DSSTox_27333"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C92046"	"92-04-6"	"2-Chloro-4-phenylphenol"	"DSSTox_22353"	0	26.0433984447187	0	29.5347006139024	0	131.164249289504	0	118.283512309908	0	0	27.6148325245486	65.679676733756	63.1184008360728	0	87.1264443231092	58.8966329005836	0	0
"C924163"	"924-16-3"	"N-Nitrosodibutylamine"	"DSSTox_21026"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C92524"	"92-52-4"	"Biphenyl"	"DSSTox_20161"	0	0	0	0	0	0	0	0	0	0	0	30.794713916059	19.7937334220249	0	0	0	0	0
"C92682"	"92-68-2"	"4-Cyclohexylcyclohexanone"	"DSSTox_40721"	0	0	0	0	0	0	0	0	0	0	0	68.0774144578338	52.2113934951202	0	0	85.7644587175622	0	0
"C92693"	"92-69-3"	"4-Phenylphenol"	"DSSTox_21152"	0	90.6995666618178	63.9169452736156	124.931693957797	153.610635121247	233.514412415666	303.234530634901	194.146095714847	198.875401840016	54.0355265579431	73.1015298860662	70.5551174008862	73.6802011205375	71.5519330111763	189.135431353517	140.34352504578	0	0
"C92842"	"92-84-2"	"Phenothiazine"	"DSSTox_21126"	0	0	0	0	0	0	0	0	0	0	0	64.733805882698	46.5703979128178	0	49.9241359522844	32.5448085719367	0	0
"C92875"	"92-87-5"	"Benzidine"	"DSSTox_20137"	0	0	0	0	0	0	0	0	0	0	0	85.9615268998922	34.3599560340538	0	59.8486206547119	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	0	0	0	0	0	0	0	0	0	46.38344225417	0	0	0	0	0	0
"C930552"	"930-55-2"	"N-Nitrosopyrrolidine"	"DSSTox_21062"	0	0	0	0	86.1118515996046	0	0	0	262.64788686248	0	0	0	18.9826743745773	0	0	0	0	0
"C93083"	"93-08-3"	"2'-Acetonaphthone"	"DSSTox_41389"	0	0	0	0	0	0	25.3065322762446	0	0	0	0	55.2564036241493	0	0	0	0	0	0
"C93152"	"93-15-2"	"Methyleugenol"	"DSSTox_25607"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C93561"	"93-56-1"	"Styrene glycol"	"DSSTox_42422"	0	0	0	0	0	0	0	0	0	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	0	0
"C938169"	"938-16-9"	"tert-Butyl phenyl ketone"	"DSSTox_48209"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74.2636598727137	0	0	0
"C93890"	"93-89-0"	"Ethyl benzoate"	"DSSTox_38696"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	68.1018006714573	0	0	0	0	0	0	0	0	0	0	0	0
"C94086"	"94-08-6"	"Ethyl 4-methylbenzoate"	"DSSTox_48211"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C94097"	"94-09-7"	"Benzocaine"	"DSSTox_21804"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53.4054439164717	0	44.029136027075	0
"C94133"	"94-13-3"	"Propylparaben"	"DSSTox_22527"	0	70.4780572189319	54.221425047773	142.55383129435	159.992252679311	221.101668986433	246.684987067868	140.369662764331	159.101439815774	0	23.0249175442451	132.930708365968	83.5096986982725	55.8204265527306	229.406627255394	81.8944834822943	0	0
"C941695"	"941-69-5"	"1-Phenyl-1H-pyrrole-2,5-dione"	"DSSTox_41274"	0	0	0	0	0	0	0	0	0	0	71.0473958842979	0	0	0	0	0	83.4037653030594	123.578730064754
"C94188"	"94-18-8"	"Benzylparaben"	"DSSTox_22526"	92.4303657526962	97.7208349372081	113.890789970928	148.904408742719	173.337293722908	212.790952372592	345.881063280272	126.649673854299	140.900692440727	0	0	88.6149828094618	58.5793887209668	31.5284708482413	136.786494038353	62.5459617778665	64.6289530885194	0
"C94268"	"94-26-8"	"Butylparaben"	"DSSTox_20209"	42.8123463501204	53.8249742247855	104.822746780402	190.48613762854	76.6553639697957	171.662398674378	168.668658317545	127.16682489901	172.193036717487	0	0	41.9732471560277	66.9356963754705	41.9047360375206	218.369792969731	135.403735949926	34.7319756029787	0
"C94280"	"94-28-0"	"Triethylene glycol bis(2-ethylhexanoate)"	"DSSTox_26564"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C94361065"	"94361-06-5"	"Cyproconazole"	"DSSTox_32601"	0	0	0	0	0	0	0	64.6550745962394	51.742487931541	0	0	45.999108560055	23.0067435789081	0	38.6211072044345	0	0	0
"C94462"	"94-46-2"	"Isopentyl benzoate"	"DSSTox_47185"	0	0	89.533184352552	0	0	46.1796704575636	0	0	0	0	0	0	0	0	0	0	0	0
"C94473"	"94-47-3"	"2-Phenylethyl benzoate"	"DSSTox_47590"	0	0	0	0	0	38.9613691364625	0	31.5941472777721	0	0	0	0	0	0	159.513189760919	0	0	0
"C94597"	"94-59-7"	"Safrole"	"DSSTox_21254"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C94600"	"94-60-0"	"Dimethyl hexahydroterephthalate"	"DSSTox_26566"	0	0	0	0	0	0	0	0	0	0	0	0	0	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	14.856235438733	0	0	0	0	0
"C94746"	"94-74-6"	"MCPA"	"DSSTox_24195"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0
"C94804"	"94-80-4"	"2,4-D 1-butyl ester "	"DSSTox_20443"	0	0	0	0	0	0	0	0	0	0	0	0	47.277911185444	0	0	0	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	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	34.1024672072416	0	0
"C94962"	"94-96-2"	"2-Ethyl-1,3-hexanediol"	"DSSTox_25292"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C950378"	"950-37-8"	"Methidathion"	"DSSTox_20819"	0	0	0	0	0	0	0	0	0	0	0	0	18.1542114789057	0	0	0	0	0
"C95136"	"95-13-6"	"Indene"	"DSSTox_42052"	0	0	0	0	0	0	0	0	0	0	0	64.0486710139048	59.4352487148857	0	52.2642235699549	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	42.3658166511327	0	0
"C95169"	"95-16-9"	"Benzothiazole"	"DSSTox_24586"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C95266403"	"95266-40-3"	"Trinexapac-ethyl"	"DSSTox_32535"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C95385"	"95-38-5"	"1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-"	"DSSTox_36112"	0	0	0	0	0	0	56.3990101088016	0	55.1324280285561	38.4771309804046	67.0588232180428	0	0	93.1860051178741	0	0	80.257386834455	0
"C95487"	"95-48-7"	"o-Cresol"	"DSSTox_21808"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C95498"	"95-49-8"	"2-Chlorotoluene"	"DSSTox_23977"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C95501"	"95-50-1"	"1,2-Dichlorobenzene"	"DSSTox_20430"	0	0	0	0	0	0	31.9719570954894	0	23.5308841815771	0	27.7021620387916	0	0	0	0	0	0	0
"C95534"	"95-53-4"	"2-Methylaniline"	"DSSTox_26164"	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0
"C95578"	"95-57-8"	"2-Chlorophenol"	"DSSTox_21544"	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	0	0
"C95658"	"95-65-8"	"3,4-Dimethylphenol"	"DSSTox_24062"	0	48.7272962166173	0	0	0	0	0	0	0	0	0	76.218399522118	39.103555904992	0	0	0	0	0
"C95737681"	"95737-68-1"	"Pyriproxyfen"	"DSSTox_32640"	0	0	0	0	0	0	0	0	0	0	0	79.263467660131	24.2019639275843	0	56.9105977050466	0	0	0
"C95749"	"95-74-9"	"3-Chloro-4-methylaniline"	"DSSTox_20286"	0	0	0	0	42.7190428562821	0	24.9423798655041	0	0	43.3737168873731	0	0	0	0	0	0	0	0
"C957517"	"957-51-7"	"Diphenamid"	"DSSTox_24072"	0	0	0	0	0	0	0	0	0	0	0	37.4034975231332	0	0	0	0	0	0
"C95761"	"95-76-1"	"3,4-Dichloroaniline"	"DSSTox_21815"	0	0	0	0	0	0	0	0	0	0	0	41.940019345441	0	0	0	0	0	0
"C95807"	"95-80-7"	"2,4-Diaminotoluene"	"DSSTox_20402"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C95830"	"95-83-0"	"4-Chloro-1,2-diaminobenzene"	"DSSTox_20283"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47.1773325759206	0
"C95874"	"95-87-4"	"2,5-Dimethylphenol"	"DSSTox_25145"	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	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	27.0578571752126	0	41.421610763669	0	0	0	110.19809246584	55.5520734400228	0	0	0	0	0
"C959988"	"959-98-8"	"Endosulfan I"	"DSSTox_37539"	0	0	0	0	0	0	33.0103523610476	41.3928882288518	38.0652966793643	0	24.9841538011335	55.285504838045	44.9373146596385	0	37.7698423668094	0	46.0843322788672	0
"C960714"	"960-71-4"	"Triphenylborane"	"DSSTox_27345"	0	64.3189367631086	0	41.9132217109307	41.5202617669972	171.86099828889	133.696213398188	118.53459883645	105.855691116282	34.5424284672555	0	66.8885914838845	75.5241793567955	28.6228314262795	195.283359506247	39.6560045335468	0	0
"C96093"	"96-09-3"	"Styrene oxide"	"DSSTox_21286"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C96182535"	"96182-53-5"	"Tebupirimfos"	"DSSTox_32482"	0	0	0	0	0	0	0	0	0	0	0	37.5875718515005	0	0	0	0	0	0
"C96184"	"96-18-4"	"1,2,3-Trichloropropane"	"DSSTox_21390"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46.4142990397506	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	0	0	0
"C962583"	"962-58-3"	"Diazoxon"	"DSSTox_37523"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0
"C96413"	"96-41-3"	"Cyclopentanol"	"DSSTox_33371"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C96457"	"96-45-7"	"Ethylene thiourea"	"DSSTox_20601"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C96480"	"96-48-0"	"4-Butyrolactone"	"DSSTox_20224"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C96489713"	"96489-71-3"	"Pyridaben"	"DSSTox_32573"	0	0	0	0	0	0	0	0	0	0	0	97.7344224273625	79.6947925341692	0	0	70.8516346041205	46.734587903762	108.140606489386
"C96708"	"96-70-8"	"2-tert-Butyl-4-ethylphenol"	"DSSTox_44581"	0	0	34.9572953609094	0	0	0	0	42.3442538888647	0	0	0	46.0702051094988	0	0	43.4905586810993	0	0	0
"C96764"	"96-76-4"	"2,4-Di-tert-butylphenol"	"DSSTox_26602"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51.0404175587592
"C96833"	"96-83-3"	"Iopanoic acid"	"DSSTox_23159"	0	30.3960675600106	39.0985738518479	28.2855284209031	0	51.5717537087785	26.9875821534972	0	0	0	0	83.7078089753335	66.4900425160847	44.2926534079912	28.0569795029697	37.2024335732427	93.3392639034786	0
"C97007"	"97-00-7"	"1-Chloro-2,4-dinitrobenzene"	"DSSTox_20278"	0	0	0	0	0	0	0	0	0	101.056192703774	55.9071471948199	0	0	0	0	0	148.585577474388	136.653741630694
"C97234"	"97-23-4"	"Dichlorophen"	"DSSTox_21824"	31.7682834705332	81.3617154776397	0	35.117123842847	0	116.473690784118	0	62.1903967611735	0	0	0	0	31.7852946124393	0	0	0	118.711291757676	128.146330011596
"C97322877"	"97322-87-7"	"Troglitazone"	"DSSTox_23719"	0	0	0	0	0	0	0	0	0	0	0	36.045205884521	20.5424657987619	0	0	0	53.1052423925848	90.8111528322179
"C97529"	"97-52-9"	"2-Methoxy-4-nitroaniline"	"DSSTox_38700"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50.1878188689171	0
"C97530"	"97-53-0"	"Eugenol"	"DSSTox_20617"	0	0	0	0	0	0	0	0	0	0	0	90.5207623688268	14.3484537419768	0	0	0	0	0
"C97541"	"97-54-1"	"Isoeugenol"	"DSSTox_22413"	0	24.7117050882164	0	35.4965733452092	22.847536223108	105.949973031829	121.528797433589	33.4725186631418	35.7526353930345	0	23.5053830387425	0	0	0	41.8549566699498	0	0	0
"C97563"	"97-56-3"	"2-Amino-5-azotoluene"	"DSSTox_20069"	0	26.4397250011927	0	52.6249468715887	0	166.898096193189	30.3086376288798	77.0772966272228	41.1161717655594	34.1869171103954	0	87.7688011419633	106.675788940583	0	130.766894935256	0	88.5167384996927	0
"C97596"	"97-59-6"	"Allantoin"	"DSSTox_20043"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C97778"	"97-77-8"	"Disulfiram"	"DSSTox_21322"	0	0	0	0	0	0	0	0	0	30.4600234848239	83.932902181343	0	0	0	0	0	0	0
"C97789"	"97-78-9"	"N-Dodecanoyl-N-methylglycine"	"DSSTox_42011"	0	0	0	0	0	0	0	0	0	0	0	0	26.9839661856463	0	0	0	95.2499311849576	0
"C97886458"	"97886-45-8"	"Dithiopyr"	"DSSTox_32379"	0	0	0	0	0	107.227639989394	0	43.4441866373719	0	0	0	95.7387803624238	34.8908028556133	0	0	0	40.4802225110748	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	0	0
"C98011"	"98-01-1"	"Furfural"	"DSSTox_20647"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C98066"	"98-06-6"	"tert-Butylbenzene"	"DSSTox_47138"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C98077"	"98-07-7"	"Benzotrichloride"	"DSSTox_20148"	0	0	0	0	0	0	0	0	0	0	0	84.7877570035085	51.8636578154647	0	0	30.0663143803554	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	0
"C98511"	"98-51-1"	"4-tert-Butyltoluene"	"DSSTox_24704"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C98522"	"98-52-2"	"4-tert-Butylcyclohexanol"	"DSSTox_26623"	0	0	0	0	0	0	0	0	0	0	0	33.484634655018	15.3471329585716	0	0	0	0	0
"C98533"	"98-53-3"	"4-tert-Butylcyclohexanone"	"DSSTox_44394"	94.5371032254352	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"	0	0	41.1812767842541	143.631393823828	79.675585131633	157.235063871594	130.526369442554	144.96658643859	123.376955102588	59.5027071673976	71.9206731375594	89.8438698618585	57.0376046391918	0	0	48.4823644213255	0	0
"C98566"	"98-56-6"	"1-Chloro-4-(trifluoromethyl)benzene"	"DSSTox_24821"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36.2590049889479	0	0	0
"C98730042"	"98730-04-2"	"Benoxacor"	"DSSTox_29572"	83.0643707397268	95.4933219983512	96.6428367144851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C98862"	"98-86-2"	"Acetophenone"	"DSSTox_21828"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0
"C98886443"	"98886-44-3"	"Fosthiazate"	"DSSTox_34930"	0	0	0	0	0	0	0	0	0	0	0	0	41.33444804007	0	0	0	0	0
"C98920"	"98-92-0"	"Niacinamide"	"DSSTox_20929"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C989388"	"989-38-8"	"Rhodamine 6G"	"DSSTox_21243"	65.0005626402984	92.1599078294556	66.7234544730092	0	0	0	0	0	0	0	0	0	0	0	0	43.7149836948417	98.5785303527446	112.542423009791
"C98953"	"98-95-3"	"Nitrobenzene"	"DSSTox_20964"	0	0	0	0	0	0	0	0	0	0	0	51.095257281724	46.3820080213785	0	0	0	0	0
"C98967409"	"98967-40-9"	"Flumetsulam"	"DSSTox_32615"	0	0	99.3789253258932	0	0	0	0	0	0	0	0	0	0	0	0	25.6803939431855	0	0
"C99070"	"99-07-0"	"3-Dimethylaminophenol"	"DSSTox_25101"	0	0	0	0	0	0	0	0	0	24.9374511240236	0	53.9932732947635	28.3727086550745	0	0	0	0	0
"C99081"	"99-08-1"	"3-Nitrotoluene"	"DSSTox_21831"	0	25.7039300889468	0	0	0	0	0	0	0	0	0	0	0	0	41.2869444718036	0	0	0
"C99309"	"99-30-9"	"Dicloran"	"DSSTox_20426"	0	0	0	0	0	0	0	0	0	0	0	86.7035037456785	20.9169172396237	0	0	0	0	65.9976657027391
"C99514"	"99-51-4"	"1,2-Dimethyl-4-nitrobenzene"	"DSSTox_25133"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	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	0	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	0	0	0
"C99607702"	"99607-70-2"	"Cloquintocet-mexyl"	"DSSTox_41794"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"C99627"	"99-62-7"	"1,3-Diisopropylbenzene"	"DSSTox_26640"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	62.7887054951927
"C99661"	"99-66-1"	"Valproic acid"	"DSSTox_23733"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31.4326801559158	0	0
"C99718"	"99-71-8"	"4-(Butan-2-yl)phenol"	"DSSTox_22332"	0	0	0	104.375443491543	89.4836724897878	208.339948527493	171.943008628715	127.671133589018	148.110565668741	47.8549108230061	47.2065857653016	101.093181492634	65.3194829081157	0	0	85.2762644115424	0	0
"C99763"	"99-76-3"	"Methylparaben"	"DSSTox_22529"	0	0	0	0	0	45.1001128239616	30.6880970724805	45.4249480369973	0	0	0	72.4878521452612	39.987815110742	0	0	0	0	0
"C99854"	"99-85-4"	"gamma-Terpinene"	"DSSTox_41210"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29.1867063552459	0	0
"C99865"	"99-86-5"	"alpha-Terpinene"	"DSSTox_41237"	0	0	0	0	42.0088249080225	24.7212764055181	69.9222319640402	25.2073290615674	77.7342202374436	56.3685636790968	92.9160175084596	0	0	0	0	0	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	29.9792377176459	0	31.281124213188	0	123.126921373762	70.37914856514	104.788829478906	42.4060150349296	0	0	50.1863330501627	19.8302552025415	0	0	52.5067907839047	0	0
"C99934"	"99-93-4"	"4-Hydroxyacetophenone"	"DSSTox_29133"	0	0	0	0	0	0	0	0	0	0	0	0	24.7694951977488	0	0	0	0	0
"C99967"	"99-96-7"	"4-Hydroxybenzoic acid"	"DSSTox_26647"	0	0	0	0	0	0	0	0	0	0	0	75.8569573500127	57.8522107557665	0	0	0	0	0
"C99978"	"99-97-8"	"N,N,4-Trimethylaniline"	"DSSTox_21832"	0	0	0	0	0	0	0	0	0	0	0	37.7066797675158	18.0430053092838	0	55.0781728047305	0	0	0
"C99990"	"99-99-0"	"4-Nitrotoluene"	"DSSTox_23792"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0	0	0	141.851366424071	0	38.0836756988551	71.8690134950109	144.314621909837
"CNOCAS47248"	"NOCAS_47248"	"CI-1018"	"DSSTox_47248"	0	0	0	0	0	0	0	0	0	0	0	0	16.9578345896977	0	0	0	0	0
"CNOCAS47255"	"NOCAS_47255"	"CP-465394"	"DSSTox_47255"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"CNOCAS47265"	"NOCAS_47265"	"CP-471358"	"DSSTox_47265"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"CNOCAS47267"	"NOCAS_47267"	"CP-642931"	"DSSTox_47267"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28.2721038552369	0	0
"CNOCAS47291"	"NOCAS_47291"	"CI-1044"	"DSSTox_47291"	0	0	0	0	0	0	0	0	0	0	0	0	17.5004069413404	0	0	0	0	0
"CNOCAS47292"	"NOCAS_47292"	"PD 0200347"	"DSSTox_47292"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	88.9879327683233	0	0	0	0	0	0	0	0	0	0	0	0	0
"CNOCAS47311"	"NOCAS_47311"	"GSK163929B"	"DSSTox_47311"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85.3010763419693	96.2851052498213
"CNOCAS47325"	"NOCAS_47325"	"SB413217A"	"DSSTox_47325"	0	0	0	0	0	0	0	0	0	0	0	0	0	30.49486525109	26.323611881093	0	0	0
"CNOCAS47328"	"NOCAS_47328"	"MK-274"	"DSSTox_47328"	0	0	0	0	0	0	0	0	0	0	0	0	15.5057692600446	0	0	0	133.018567754166	75.0977556604843
"CNOCAS47330"	"NOCAS_47330"	"PharmaGSID_47330"	"DSSTox_47330"	0	0	0	0	0	0	0	0	0	0	0	37.936146207336	0	0	0	0	144.176596066677	0
"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	69.2480553152207	0	0	0	0	0	36.5046062590272	87.8685483995177	126.424719988781
"CNOCAS47342"	"NOCAS_47342"	"SR125047"	"DSSTox_47342"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	107.986789437932
"CNOCAS47346"	"NOCAS_47346"	"SSR162369"	"DSSTox_47346"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46.6079365031707	0	0
"CNOCAS47351"	"NOCAS_47351"	"SSR240612"	"DSSTox_47351"	0	0	0	0	0	0	0	0	0	46.2426836378672	0	53.3459132957437	18.4582166117413	0	0	0	0	120.646765045491
"CNOCAS47353"	"NOCAS_47353"	"SSR241586"	"DSSTox_47353"	0	31.3344042917203	38.4950895475471	0	0	0	0	0	0	48.4968609828119	0	0	0	50.7124258707214	0	0	134.900018318559	116.286317105507
"CNOCAS47362"	"NOCAS_47362"	"SSR150106"	"DSSTox_47362"	0	0	29.5948574298677	0	0	0	0	0	0	0	0	0	47.2695734428837	0	0	0	0	83.3658337239582
"CNOCAS47364"	"NOCAS_47364"	"SSR103800"	"DSSTox_47364"	0	0	60.3968427723181	0	0	0	0	0	0	0	0	0	0	0	0	0	96.9347282097804	0
"CNOCAS47366"	"NOCAS_47366"	"SAR115740"	"DSSTox_47366"	0	0	0	0	0	0	0	0	0	0	0	0	0	50.5853019356538	0	0	0	0
"CNOCAS47374"	"NOCAS_47374"	"SSR161421"	"DSSTox_47374"	0	0	0	0	0	0	0	0	0	0	0	0	21.5896618804724	0	0	0	41.6874257869396	60.2208160098331
"CNOCAS47377"	"NOCAS_47377"	"AVE6324"	"DSSTox_47377"	0	0	0	0	0	0	0	0	0	0	0	46.8953421573998	30.0535058182225	129.266296570863	0	0	0	143.230223583718
"CNOCAS47379"	"NOCAS_47379"	"SSR126768"	"DSSTox_47379"	0	37.1396436048691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68.4885110361114	115.880501145544
"CNOCAS47383"	"NOCAS_47383"	"AVE3247"	"DSSTox_47383"	0	0	0	0	0	0	0	0	0	0	0	0	16.2224049991105	0	0	0	0	0
"CNOCAS47385"	"NOCAS_47385"	"SAR377142"	"DSSTox_47385"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
"CNOCAS47387"	"NOCAS_47387"	"SAR102779"	"DSSTox_47387"	0	0	0	0	0	0	0	0	0	34.4582771356691	0	0	26.996334862645	0	0	0	71.2465234524112	101.858515426337
"CNOCAS47389"	"NOCAS_47389"	"SAR150640"	"DSSTox_47389"	0	0	0	0	0	0	0	0	0	42.1169435700008	0	0	0	0	0	0	40.0852617499456	0
"CNOCAS47708"	"NOCAS_47708"	"Igepal CO-890"	"DSSTox_47708"	0	0	0	0	0	33.2414660727921	30.6893127702856	47.7301317272146	103.374504230365	0	0	0	0	0	0	0	0	0
"CNOCAS47796"	"NOCAS_47796"	"Formalin"	"DSSTox_47796"	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
