"CODE"	"CASRN"	"Name"	"DSSTox_GSID"	"target_gene"	"use_category"	"structure_category"	"structure_super_category"	"Phase_I"	"Phase_II"	"E1K"	"Tox21"
"C100005"	"100-00-5"	"1-Chloro-4-nitrobenzene"	"DSSTox_20281"	""	"Industrial intermediate"	"phenyl nitro chloro"	"phenyl nitro chloro"	0	1	0	1
"C100016"	"100-01-6"	"4-Nitroaniline"	"DSSTox_20961"	""	"Industrial intermediate"	"aniline nitro"	NA	0	1	0	1
"C100027"	"100-02-7"	"4-Nitrophenol"	"DSSTox_21834"	""	"Industrial Intermediate/precursor"	"phenol nitro"	"phenol nitro"	0	1	0	1
"C10016203"	"10016-20-3"	"alpha-Cyclodextrin"	"DSSTox_30698"	""	"Carrier (food, drugs)"	"sugar alcohol"	NA	0	1	0	1
"C100210"	"100-21-0"	"Terephthalic acid"	"DSSTox_26080"	""	"Chemical Precursor"	"phenyl carboxylic acid di"	"phenyl carboxylic acid"	0	0	1	1
"C10025748"	"10025-74-8"	"Dysprosium(III) chloride"	"DSSTox_41909"	""	"Semiconductor"	"heavy metal salt"	"organometallic"	0	0	1	1
"C100378"	"100-37-8"	"N,N-Diethylethanolamine"	"DSSTox_21837"	""	"Industrial Intermediate/precursor"	"alcohol pri amine ter"	"alcohol amine"	0	1	0	1
"C10042598"	"10042-59-8"	"2-Propyl-1-heptanol"	"DSSTox_29302"	""	"Chemical Precursor"	"alcohol pri"	"alcohol"	0	0	1	1
"C10043353"	"10043-35-3"	"Boric acid"	"DSSTox_20194"	""	"Insecticide/Flame retardant"	"inorganic"	NA	1	0	0	1
"C100516"	"100-51-6"	"Benzyl alcohol"	"DSSTox_20152"	""	"Fragrance/solvent"	"phenyl alcohol"	"alcohol"	0	1	0	1
"C100549"	"100-54-9"	"3-Pyridinecarbonitrile"	"DSSTox_26665"	""	"Chemical Precursor"	"pyridine nitrile"	NA	0	1	0	1
"C100641"	"100-64-1"	"Cyclohexanone oxime"	"DSSTox_21842"	""	"Industrial intermediate"	"oxime"	NA	0	0	1	1
"C1007289"	"1007-28-9"	"Deisopropylatrazine"	"DSSTox_37495"	""	"Herbicide degradate (Atrazine)"	"triazine chloro"	NA	1	0	0	1
"C10081671"	"10081-67-1"	"4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline"	"DSSTox_27721"	""	"Additive (antioxidant)"	"phenyl-phenyl [N] phenyl"	NA	0	0	1	1
"C1008726"	"1008-72-6"	"Sodium 2-formylbenzenesulfonate"	"DSSTox_41643"	""	"Industrial intermediate"	"phenyl sulfuric acid aldehyde"	NA	0	0	1	1
"C10094345"	"10094-34-5"	"1,1-Dimethyl-2-phenylethyl butanoate"	"DSSTox_38830"	""	"Flavor Ingredient"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C100970"	"100-97-0"	"Methenamine"	"DSSTox_20692"	""	"Industrial intermediate"	"amine ter"	"amine"	0	1	0	1
"C101020"	"101-02-0"	"Triphenyl phosphite"	"DSSTox_26252"	""	"Industrial intermediate"	"triphenyl [PO3]"	"phenyl"	0	1	0	1
"C101053"	"101-05-3"	"Anilazine"	"DSSTox_20089"	"Unknown"	"Fungicide"	"phenyl-triazine [N] halide"	NA	1	0	0	1
"C101100"	"101-10-0"	"Cloprop"	"DSSTox_34232"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	1	0	0	1
"C101202"	"101-20-2"	"Triclocarban"	"DSSTox_26214"	"AR"	"Fungicide"	"phenyl urea chloro"	"phenyl urea"	0	1	0	1
"C101213"	"101-21-3"	"Chlorpropham"	"DSSTox_20764"	"Unknown"	"Herbicide"	"phenyl carbamate chloro"	"carbamate"	1	0	0	1
"C101371"	"101-37-1"	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	"DSSTox_37754"	""	"Industrial intermediate"	"triazine alkoxy"	NA	0	0	1	1
"C101428"	"101-42-8"	"Fenuron"	"DSSTox_37551"	"Unknown"	"Herbicide"	"phenyl urea"	"phenyl urea"	0	0	1	1
"C101463698"	"101463-69-8"	"Flufenoxuron"	"DSSTox_41978"	"Unknown"	"Insecticide"	"phenyl phenylurea perfluoro"	NA	0	0	1	1
"C101542"	"101-54-2"	"N-Phenyl-1,4-benzenediamine"	"DSSTox_25895"	""	"Industrial intermediate"	"aniline-phenyl [N]"	"aniline"	0	1	0	1
"C101553"	"101-55-3"	"p-Bromodiphenyl ether"	"DSSTox_23927"	""	"Industrial intermediate"	"phenyl-phenyl [O] halide"	"phenyl halide"	0	1	0	1
"C101611"	"101-61-1"	"4,4'-Methylenebis(N,N-dimethylaniline)"	"DSSTox_20869"	""	"Industrial intermediate (Dyes)"	"aniline-aniline [C] alkylate"	"aniline"	0	1	0	1
"C10161338"	"10161-33-8"	"17beta-Trenbolone"	"DSSTox_34192"	"AR"	"Pharmaceutical"	"steroid A"	"steroid"	0	1	1	1
"C101779"	"101-77-9"	"4,4'-Methylenedianiline"	"DSSTox_22422"	""	"Industrial intermediate"	"aniline-aniline [C]"	"aniline"	0	1	0	1
"C101804"	"101-80-4"	"4,4'-Oxydianiline"	"DSSTox_21094"	""	"Industrial intermediate"	"aniline-aniline [O]"	"aniline"	0	1	0	1
"C101815"	"101-81-5"	"Diphenylmethane"	"DSSTox_41891"	""	"Flavor Ingredient"	"phenyl-phenyl [C]"	"phenyl"	0	0	1	1
"C101837"	"101-83-7"	"Dicyclohexylamine"	"DSSTox_25018"	""	"Industrial intermediate"	"amine sec"	"amine"	0	0	1	1
"C101848"	"101-84-8"	"Diphenyl oxide"	"DSSTox_21847"	""	"Heat transfer medium/fragrance"	"phenyl-phenyl [O]"	"phenyl"	0	0	1	1
"C101860"	"101-86-0"	"2-Benzylideneoctanal"	"DSSTox_26684"	""	"Natural Product/Flavor Ingredient"	"phenyl aldehyde"	"aldehyde"	0	1	0	1
"C102067"	"102-06-7"	"1,3-Diphenylguanidine"	"DSSTox_25178"	""	"Industrial intermediate"	"phenyl-phenyl [NCN]"	"phenyl"	0	1	0	1
"C10222012"	"10222-01-2"	"2,2-Dibromo-3-nitrilopropionamide"	"DSSTox_32361"	""	"Microbicide"	"amide nitrile halide"	NA	0	1	0	1
"C102272"	"102-27-2"	"N-Ethyl-3-methylaniline"	"DSSTox_21848"	""	"Chemical reagent"	"aniline alkylate alkyl"	"aniline alkylate"	0	1	0	1
"C1024573"	"1024-57-3"	"Heptachlor epoxide"	"DSSTox_24126"	"GABARA1 GABARA2"	"degradate of heptachlor (CASRN 76-44-8)"	"polychloro-bicycle epoxide"	"polychloro-bicycle"	0	1	0	1
"C102603"	"102-60-3"	"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine"	"DSSTox_26689"	""	"Industrial catalyst"	"alcohol-4 amine"	"alcohol amine"	0	1	0	1
"C10265926"	"10265-92-6"	"Methamidophos"	"DSSTox_24177"	"ACHE"	"Insecticide"	"thiophosphamide"	NA	1	0	0	1
"C102676313"	"102676-31-3"	"Fadrozole hydrochloride"	"DSSTox_20618"	"CYP19A1"	"Pharmaceutical"	"conazole (triazoles)"	"conazole"	0	0	1	1
"C102716"	"102-71-6"	"Triethanolamine"	"DSSTox_21392"	""	"Surfactant"	"alcohol-3 amine"	"alcohol amine"	0	1	0	1
"C102761"	"102-76-1"	"Triacetin"	"DSSTox_26691"	""	"Flavoring Ingredient"	"carboxylate multi"	"carboxylate"	0	1	0	1
"C102829"	"102-82-9"	"Tributylamine"	"DSSTox_26183"	""	"Industrial intermediate"	"amine ter"	"amine"	0	1	0	1
"C103055078"	"103055-07-8"	"Lufenuron"	"DSSTox_34357"	"Unknown"	"Insecticide"	"phenyl phenylurea perfluoro"	NA	0	0	1	1
"C103093"	"103-09-3"	"2-Ethylhexyl acetate"	"DSSTox_26694"	""	"Solvent"	"carboxylate"	"carboxylate"	0	0	1	1
"C1031078"	"1031-07-8"	"Endosulfan sulfate"	"DSSTox_37541"	"GABAR1"	"degradate of endosulfan (CASRN 115-29-7)"	"polychloro-bicycle sulfate"	"polychloro-bicycle"	0	0	1	1
"C103117"	"103-11-7"	"2-Ethylhexyl acrylate"	"DSSTox_25297"	""	"Industrial intermediate"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C103231"	"103-23-1"	"Di(2-ethylhexyl) adipate"	"DSSTox_20606"	"PPARA"	"Pharmaceutical"	"carboxylate di"	"carboxylate"	0	1	0	1
"C103242"	"103-24-2"	"Bis(2-ethylhexyl) nonanedioate"	"DSSTox_26697"	""	"Lubricant"	"carboxylate di"	"carboxylate"	0	1	0	1
"C103333"	"103-33-3"	"Azobenzene"	"DSSTox_20123"	""	"Industrial Intermediate/Insecticide"	"phenyl-phenyl [NN]"	"phenyl"	0	1	0	1
"C103344"	"103-34-4"	"4,4'-Dithiodimorpholine"	"DSSTox_26698"	""	"Industrial accelerator/Fungisice"	"morpholine"	NA	0	0	1	1
"C103361097"	"103361-09-7"	"Flumioxazin"	"DSSTox_32555"	"Unknown"	"Herbicide"	"Pharma Class 4.58"	NA	1	0	0	1
"C1034011"	"1034-01-1"	"Octyl gallate"	"DSSTox_40713"	""	"Antioxidant"	"gallate"	"phenol"	0	1	0	1
"C103413"	"103-41-3"	"Benzyl cinnamate"	"DSSTox_41663"	""	"Flavoring Ingredient"	"phenyl-phenyl [carboxylate]"	NA	0	0	1	1
"C103651"	"103-65-1"	"Propylbenzene"	"DSSTox_42219"	"CYP102A1 CYP102A1"	"Solvent"	"phenyl alkyl"	"phenyl"	0	1	0	1
"C103695"	"103-69-5"	"N-Ethylaniline"	"DSSTox_25271"	""	"Industrial Intermediate/Insecticide"	"aniline alkylate"	"aniline alkylate"	0	1	0	1
"C103764"	"103-76-4"	"1-Piperazineethanol"	"DSSTox_21853"	""	"Industrial intermediate"	"alcohol pri cycloamine"	"alcohol amine"	0	0	1	1
"C103902"	"103-90-2"	"Acetaminophen"	"DSSTox_20006"	"PTGS2"	"Pharmaceutical"	"phenol amide"	NA	0	1	0	1
"C104098488"	"104098-48-8"	"Imazapic"	"DSSTox_34270"	"ALS"	"Herbicide"	"imidazolinone pyridine carboxylic acid"	NA	1	0	0	1
"C104132"	"104-13-2"	"4-Butylaniline"	"DSSTox_21856"	""	"Industrial intermediate (Dyes)"	"aniline"	"aniline"	0	0	1	1
"C104206828"	"104206-82-8"	"Mesotrione"	"DSSTox_32424"	"Unknown"	"Herbicide"	"phenyl sulfate nitrate ketone"	NA	1	0	0	1
"C104405"	"104-40-5"	"4-Nonylphenol"	"DSSTox_33836"	"ESR1"	"Industrial Precursor (detergents)"	"phenol alkyl"	"phenol"	0	1	1	1
"C104438"	"104-43-8"	"4-Dodecylphenol"	"DSSTox_22508"	""	"Industrial intermediate (catalyst)"	"phenol alkyl"	"phenol"	0	0	1	1
"C104450"	"104-45-0"	"4-Propylanisole"	"DSSTox_42325"	""	"Flavoring Ingredient"	"phenol ethoxylate alkyl"	"http://www.thegoodscentscompany.com/data/rw1024292.html"	0	0	1	1
"C104518"	"104-51-8"	"Butylbenzene"	"DSSTox_22472"	""	"Solvent/Plastics/Surfactant"	"phenyl alkyl"	"http://hazmap.nlm.nih.gov/category-details?id=8263&table=copytblagents"	0	1	0	1
"C10453868"	"10453-86-8"	"Resmethrin"	"DSSTox_22253"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C104541"	"104-54-1"	"3-Phenyl-2-propen-1-ol"	"DSSTox_41491"	""	"Flavoring Ingredient"	"phenyl alcohol"	"http://www.thegoodscentscompany.com/data/rw1003292.html"	0	0	1	1
"C104610"	"104-61-0"	"gamma-Nonanolactone"	"DSSTox_34229"	""	"Flavor and fragrance Ingredient"	"olide"	NA	0	0	1	1
"C104665"	"104-66-5"	"1,2-Diphenoxyethane"	"DSSTox_26706"	""	"Sensitizer for thermal paper"	"phenyl-phenyl [OCCO]"	"phenyl"	0	0	1	1
"C104676"	"104-67-6"	"5-Heptyldihydro-2(3H)-furanone"	"DSSTox_34287"	""	"Flavoring/Repellant"	"olide"	NA	0	1	0	1
"C104767"	"104-76-7"	"2-Ethyl-1-hexanol"	"DSSTox_20605"	""	"Industrial precursor"	"alcohol pri"	"alcohol"	0	1	0	1
"C104795688"	"104795-68-8"	"CI-959"	"DSSTox_47268"	"Unknown"	"Pharmaceutical"	"Pharma Class 4.73"	NA	0	1	0	1
"C105215"	"105-21-5"	"1,4-Heptanolide"	"DSSTox_47611"	""	"Flavoring Ingredient"	"olide"	NA	0	0	1	1
"C105373"	"105-37-3"	"Ethyl propionate"	"DSSTox_40110"	""	"Flavoring Ingredient/Solvent"	"carboxylate"	"carboxylate"	0	0	1	1
"C10540291"	"10540-29-1"	"Tamoxifen"	"DSSTox_34187"	"ESR1"	"Pharmaceutical"	"tamoxifen-like"	NA	0	1	1	1
"C105512069"	"105512-06-9"	"Clodinafop-propargyl mixt."	"DSSTox_32354"	"ACACA"	"Herbicide (Plant Growth Regulator)"	"pyridine alkoxy carboxylic acid halide"	NA	1	0	0	1
"C105533"	"105-53-3"	"Diethyl propanedioate"	"DSSTox_21863"	""	"Flavoring Ingredient/Solvent/Natural Product"	"carboxylate di"	"carboxylate"	0	0	1	1
"C105544"	"105-54-4"	"Ethyl butyrate"	"DSSTox_40111"	""	"Flavoring Ingredient"	"carboxylate"	"carboxylate"	0	1	0	1
"C105555"	"105-55-5"	"N,N'-Diethylthiourea"	"DSSTox_20466"	""	"Industrial accellerator"	"thiourea"	NA	0	0	1	1
"C105602"	"105-60-2"	"Caprolactam"	"DSSTox_20240"	""	"Industrial intermediate"	"amide"	"amide"	0	1	0	1
"C105624860"	"105624-86-0"	"5HPP-33"	"DSSTox_46970"	"TUBA1A"	"Pharmaceutical"	"thalidomide-like"	NA	0	1	0	1
"C105679"	"105-67-9"	"2,4-Dimethylphenol"	"DSSTox_21864"	""	"Flavoring Ingredient"	"phenol alkyl"	"phenol"	0	1	0	1
"C105873"	"105-87-3"	"Geranyl acetate"	"DSSTox_20654"	""	"Flavoring Ingredient"	"carboxylate ene"	"carboxylate"	0	1	0	1
"C105997"	"105-99-7"	"Dibutyl hexanedioate"	"DSSTox_21866"	""	"Plastics"	"carboxylate di"	"carboxylate"	0	1	0	1
"C10605217"	"10605-21-7"	"Carbendazim"	"DSSTox_24729"	"Tubulin"	"Fungicide (and degradate)"	"benzimidazolyl carbamate"	NA	0	1	0	1
"C1061517621"	"1061517-62-1"	"PharmaGSID_47337"	"DSSTox_47337"	"Unknown"	"Pharmaceutical"	"Pharma Class 4.86"	NA	0	1	0	1
"C106229"	"106-22-9"	"Citronellol"	"DSSTox_26726"	""	"Fragrance/Insect repellent"	"alcohol pri ene"	"alcohol"	0	1	0	1
"C106230"	"106-23-0"	"Citronellal"	"DSSTox_41790"	""	"Insect repellent/natural product/Flavoring ingredient"	"aldehyde ene"	"aldehyde"	0	0	1	1
"C106241"	"106-24-1"	"Geraniol"	"DSSTox_26727"	""	"Flavoring Ingredient/Natural Product"	"alcohol pri ene"	"alcohol"	0	1	0	1
"C106252"	"106-25-2"	"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"	"DSSTox_26728"	""	"Fragrance"	"alcohol pri ene"	"alcohol"	0	1	0	1
"C106274"	"106-27-4"	"Isopentyl butyrate"	"DSSTox_42059"	""	"Fragrance"	"carboxylate"	"carboxylate"	0	1	0	1
"C106309"	"106-30-9"	"Ethyl heptanoate"	"DSSTox_40112"	""	"Flavoring Ingredient/Natural Product"	"carboxylate"	"carboxylate"	0	1	0	1
"C106434"	"106-43-4"	"4-Chlorotoluene"	"DSSTox_24814"	""	"Industrial intermediate"	"phenyl halide alkyl"	"phenyl halide"	0	1	0	1
"C106445"	"106-44-5"	"p-Cresol"	"DSSTox_21869"	""	"Industrial intermediate"	"phenol alkyl"	"phenol"	0	1	0	1
"C106456"	"106-45-6"	"4-Thiocresol"	"DSSTox_48188"	""	"Industrial intermediate"	"phenyl alkyl sulfide"	NA	0	0	1	1
"C106467"	"106-46-7"	"1,4-Dichlorobenzene"	"DSSTox_20431"	""	"Industrial precursor/Pesticide"	"phenyl halide"	"phenyl halide"	0	1	0	1
"C106478"	"106-47-8"	"4-Chloroaniline"	"DSSTox_20295"	""	"Industrial precursor"	"aniline chloride"	"aniline halide"	0	1	0	1
"C106489"	"106-48-9"	"4-Chlorophenol"	"DSSTox_21871"	""	"Industrial intermediate"	"phenol halide"	"phenol halide"	0	0	1	1
"C106490"	"106-49-0"	"4-Methylaniline"	"DSSTox_21872"	""	"Industrial precursor"	"aniline"	"aniline"	0	1	0	1
"C106503"	"106-50-3"	"1,4-Benzenediamine"	"DSSTox_21138"	""	"Industrial precursor"	"aniline"	"aniline"	0	0	1	1
"C106650"	"106-65-0"	"Dimethyl succinate"	"DSSTox_25152"	""	"Industrial intermediate"	"carboxylate di"	"carboxylate"	0	1	0	1
"C106683"	"106-68-3"	"3-Octanone"	"DSSTox_41954"	""	"Solvent/Flavor"	"ketone"	"ketone"	0	0	1	1
"C1067250"	"1067-25-0"	"Trimethoxypropylsilane"	"DSSTox_42494"	""	"Industrial coupling agent"	"silicate"	"silicate"	0	0	1	1
"C1067534"	"1067-53-4"	"Tris(2-methoxyethoxy)vinylsilane"	"DSSTox_27356"	""	"Industrial coupling agent"	"silicate"	"silicate"	0	0	1	1
"C106876"	"106-87-6"	"4-Vinyl-1-cyclohexene dioxide"	"DSSTox_20604"	""	"Industrial reactant/Pesticide"	"epoxide"	NA	0	1	0	1
"C1068967963"	"1068967-96-3"	"SAR102608"	"DSSTox_47391"	"PTGS2"	"Pharmaceutical"	"Pharma Class 3.110"	NA	0	1	0	1
"C106934"	"106-93-4"	"1,2-Dibromoethane"	"DSSTox_20415"	""	"Industrial precursor/Fumigant"	"alkane halide"	"alkane halide"	0	0	1	1
"C107073"	"107-07-3"	"2-Chloroethanol"	"DSSTox_21877"	""	"Industrial precursor/Solvent"	"alcohol pri halide"	"alcohol halide"	0	1	0	1
"C107131"	"107-13-1"	"Acrylonitrile"	"DSSTox_20029"	""	"Industrial precursor"	"nitrile"	NA	0	0	1	1
"C107186"	"107-18-6"	"Allyl alcohol"	"DSSTox_20044"	""	"Industrial precursor"	"alcohol pri ene"	"alcohol"	0	0	1	1
"C107200"	"107-20-0"	"Chloroacetaldehyde"	"DSSTox_20292"	""	"Industrial precursor/Fungicide"	"aldehyde halide"	NA	0	0	1	1
"C107211"	"107-21-1"	"Ethylene glycol"	"DSSTox_20597"	""	"Industrial reactant"	"alcohol-2"	"alcohol"	0	1	0	1
"C1072157"	"1072-15-7"	"Sulfuric acid, monononyl ester, sodium salt"	"DSSTox_47487"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C107302"	"107-30-2"	"Chloromethyl methyl ether"	"DSSTox_20307"	""	"Industrial reactant/Solvent"	"ether halide"	NA	0	0	1	1
"C107415"	"107-41-5"	"2-Methyl-2,4-pentanediol"	"DSSTox_21885"	""	"Industrial coatings/cosmetics"	"alcohol-2"	"alcohol"	0	1	1	1
"C107460"	"107-46-0"	"Hexamethyldisiloxane"	"DSSTox_26769"	""	"Industrial reactant/Solvent"	"silicate"	"silicate"	0	0	1	1
"C107517"	"107-51-7"	"Octamethyltrisiloxane"	"DSSTox_40710"	""	"Industrial reactant"	"silicate"	"silicate"	0	0	1	1
"C107534963"	"107534-96-3"	"Tebuconazole"	"DSSTox_32113"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	0	1	0	1
"C107540"	"107-54-0"	"3,5-Dimethyl-1-hexyn-3-ol"	"DSSTox_41472"	""	"Surfactant"	"alcohol ter yne"	"alcohol"	0	0	1	1
"C1076977"	"1076-97-7"	"1,4-Cyclohexanedicarboxylic acid"	"DSSTox_38788"	""	"Industrial intermediate"	"carboxylic acid di"	"carboxylic acid"	0	0	1	1
"C107755"	"107-75-5"	"7-Hydroxy-3,7-dimethyloctanal"	"DSSTox_42232"	""	"Fragrance"	"alcohol ter aldehyde"	NA	0	0	1	1
"C107879"	"107-87-9"	"2-Pentanone"	"DSSTox_21888"	""	"Solvent"	"ketone"	"ketone"	0	0	1	1
"C107880"	"107-88-0"	"1,3-Butanediol"	"DSSTox_26773"	""	"Solvent/Industrial reactant"	"alcohol-2"	"alcohol"	0	1	0	1
"C107926"	"107-92-6"	"Butanoic acid"	"DSSTox_21515"	""	"Industrial precursor/Natural product"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C107982"	"107-98-2"	"1-Methoxy-2-propanol"	"DSSTox_24284"	""	"Solvent/Coatings"	"alcohol sec ether"	"alcohol ether"	0	1	1	1
"C108010"	"108-01-0"	"Dimethylaminoethanol"	"DSSTox_20505"	""	"Industrial reactant/Plastics"	"alcohol pri amine ter"	"alcohol amine"	0	1	1	1
"C108112"	"108-11-2"	"4-Methyl-2-pentanol"	"DSSTox_26781"	""	"Solvent/plastics"	"alcohol sec"	"alcohol"	0	1	0	1
"C108214"	"108-21-4"	"Isopropyl acetate"	"DSSTox_25478"	""	"Solvent"	"carboxylate"	"carboxylate"	0	0	1	1
"C108327"	"108-32-7"	"Propylene carbonate"	"DSSTox_26789"	""	"Solvent"	"carboxylate anhydride"	NA	0	0	1	1
"C108383"	"108-38-3"	"1,3-Dimethylbenzene"	"DSSTox_26298"	""	"Solvent"	"phenyl alkyl"	"phenyl"	0	0	1	1
"C108394"	"108-39-4"	"m-Cresol"	"DSSTox_24200"	""	"Industrial intermediate"	"phenol alkyl"	"phenol"	0	0	1	1
"C108419336"	"108419-33-6"	"Acetic acid, C8-10-branched alkyl esters, C9-rich"	"DSSTox_29848"	""	"Solvent"	"carboxylate"	"carboxylate"	0	0	1	1
"C108441"	"108-44-1"	"3-Methylaniline"	"DSSTox_26792"	""	"Industrial reactant/Dyes"	"aniline"	"aniline"	0	1	0	1
"C108452"	"108-45-2"	"1,3-Benzenediamine"	"DSSTox_21137"	""	"Industrial reactant/Dyes"	"aniline"	"aniline"	0	1	0	1
"C108463"	"108-46-3"	"Resorcinol"	"DSSTox_21238"	""	"Industrial intermediate/Disinfectant"	"phenol-2"	"phenol"	0	1	0	1
"C1085127"	"1085-12-7"	"Heptylparaben"	"DSSTox_22523"	""	"Microbicide"	"paraben"	"phenol"	0	0	1	1
"C108598"	"108-59-8"	"Dimethyl malonate"	"DSSTox_29145"	""	"Industrial reactant"	"carboxylate di"	"carboxylate"	0	1	0	1
"C108678"	"108-67-8"	"1,3,5-Trimethylbenzene"	"DSSTox_26797"	""	"Solvent"	"phenyl alkyl"	"phenyl"	0	1	0	1
"C108689"	"108-68-9"	"3,5-Dimethylphenol"	"DSSTox_25148"	""	"Industrial reactant"	"phenol alkyl"	"phenol"	0	0	1	1
"C108770"	"108-77-0"	"2,4,6-Trichloro-s-triazine"	"DSSTox_26799"	""	"Industrial reactant"	"triazine chloro"	NA	0	0	1	1
"C108805"	"108-80-5"	"Cyanuric acid"	"DSSTox_24873"	""	"Industrial precursor"	"triazinone"	NA	0	1	1	1
"C108838"	"108-83-8"	"Diisobutyl ketone"	"DSSTox_25080"	""	"Solvent"	"ketone"	"ketone"	0	0	1	1
"C108918"	"108-91-8"	"Cyclohexylamine"	"DSSTox_23996"	""	"Industrial intermediate"	"amine pri"	"amine"	0	1	0	1
"C108930"	"108-93-0"	"Cyclohexanol"	"DSSTox_21894"	""	"Industrial precursor"	"alcohol sec alkane cyclo"	"alcohol"	0	1	1	1
"C108941"	"108-94-1"	"Cyclohexanone"	"DSSTox_20359"	""	"Solvent"	"ketone cycloalkyl"	"ketone"	0	1	1	1
"C108952"	"108-95-2"	"Phenol"	"DSSTox_21124"	""	"Industrial precursor"	"phenol"	"phenol"	0	1	0	1
"C108985"	"108-98-5"	"Benzenethiol"	"DSSTox_26811"	""	"Industrial intermediate/larvicide"	"phenyl sulfide"	NA	0	0	1	1
"C109024"	"109-02-4"	"4-Methylmorpholine"	"DSSTox_29146"	""	"Industrial precursor"	"morpholine"	NA	0	0	1	1
"C109433"	"109-43-3"	"Dibutyl decanedioate"	"DSSTox_41847"	""	"Plasticizer"	"carboxylate di"	"carboxylate"	0	1	0	1
"C109466"	"109-46-6"	"N,N'-Dibutylthiourea"	"DSSTox_42187"	""	"Accelerator"	"thiourea"	NA	0	0	1	1
"C109524"	"109-52-4"	"Pentanoic acid"	"DSSTox_21655"	""	"Industrial reactant/Natural product"	"carboxylic acid"	"carboxylic acid"	0	0	1	1
"C109557"	"109-55-7"	"3-(Dimethylamino)propylamine"	"DSSTox_25102"	""	"Industrial reactant"	"amine pri sec"	"amine"	0	0	1	1
"C1095905"	"1095-90-5"	"Methadone hydrochloride"	"DSSTox_20501"	"OPRL1 OPRM1"	"Pharmaceutical"	"phenyl-phenyl [C] ketone amine"	NA	0	1	0	1
"C109773"	"109-77-3"	"Propanedinitrile"	"DSSTox_21907"	""	"Industrial reactant"	"nitrile"	NA	0	0	1	1
"C109864"	"109-86-4"	"2-Methoxyethanol"	"DSSTox_24182"	""	"Solvent"	"alcohol pri ether"	"alcohol ether"	1	0	0	1
"C110054"	"110-05-4"	"Di-tert-butyl peroxide"	"DSSTox_24955"	""	"Industrial reactant"	"peroxide"	NA	0	1	0	1
"C110123"	"110-12-3"	"5-Methyl-2-hexanone"	"DSSTox_21914"	""	"Solvent"	"ketone"	"ketone"	0	0	1	1
"C110156"	"110-15-6"	"Butanedioic acid"	"DSSTox_23602"	""	"Industrial reactant/Natural product"	"carboxylic acid di"	"carboxylic acid"	0	0	1	1
"C110167"	"110-16-7"	"Maleic acid"	"DSSTox_21517"	""	"Industrial reactant"	"carboxylic acid di"	"carboxylic acid"	0	0	1	1
"C110178"	"110-17-8"	"Fumaric acid"	"DSSTox_21518"	""	"Industrial reactant/Natural product"	"carboxylic acid di"	"http://hazmap.nlm.nih.gov/category-details?id=8358&table=copytblagents"	0	0	1	1
"C110235477"	"110235-47-7"	"Mepanipyrim"	"DSSTox_42121"	"Unknown"	"Fungicide"	"phenyl-diazine [N]"	NA	0	1	0	1
"C110258"	"110-25-8"	"Oleyl sarcosine"	"DSSTox_42243"	""	"Lubricant/corrosion inhibitor"	"carboxylic acid amide ene"	NA	0	0	1	1
"C110269"	"110-26-9"	"N,N'-Methylenebisacrylamide"	"DSSTox_25595"	""	"Industrial intermediate/larvicide"	"acrylamide"	NA	0	1	0	1
"C110270"	"110-27-0"	"Isopropyl tetradecanoic acid"	"DSSTox_26838"	""	"Surfactant"	"carboxylate"	"carboxylate"	0	0	1	1
"C110338"	"110-33-8"	"Dihexyl hexanedioate"	"DSSTox_26841"	""	"Plasticizer/Industrial reactant/"	"carboxylate di"	"carboxylate"	0	0	1	1
"C110429"	"110-42-9"	"Methyl decanoate"	"DSSTox_26842"	""	"Natural product/pesticide/industrial reactant"	"carboxylate"	"carboxylate"	0	0	1	1
"C110430"	"110-43-0"	"2-Heptanone"	"DSSTox_21916"	""	"Solvent"	"ketone"	"ketone"	0	0	1	1
"C110441"	"110-44-1"	"Sorbic acid"	"DSSTox_21277"	""	"Fungicide/antimicrobial"	"carboxylic acid ene"	"carboxylic acid"	0	1	0	1
"C110488705"	"110488-70-5"	"Dimethomorph"	"DSSTox_34545"	"Unknown"	"Fungicide"	"phenyl-phenyl [C] alkoxy halide morpholine"	NA	1	0	0	1
"C110623"	"110-62-3"	"Pentanal"	"DSSTox_21653"	""	"Flavor agent/plastics"	"aldehyde"	"aldehyde"	0	1	0	1
"C110634"	"110-63-4"	"1,4-Butanediol"	"DSSTox_24666"	""	"Solvent/industrial imtermediate"	"alcohol-2"	"alcohol"	0	0	1	1
"C110656"	"110-65-6"	"2-Butyne-1,4-diol"	"DSSTox_21921"	""	"Industrial reactant/Solvent"	"alcohol-2 yne"	"alcohol"	0	0	1	1
"C110690"	"110-69-0"	"Butanal oxime"	"DSSTox_24664"	""	"antiskinning agent (paints, dyes)"	"oxime"	NA	0	0	1	1
"C110736"	"110-73-6"	"2-(Ethylamino)ethanol"	"DSSTox_21922"	""	"UNK; inert /excipient"	"alcohol pri amine sec"	"alcohol amine"	0	0	1	1
"C110805"	"110-80-5"	"2-Ethoxyethanol"	"DSSTox_24087"	""	"Solvent"	"alcohol pri ether"	"alcohol ether"	0	1	0	1
"C110850"	"110-85-0"	"Piperazine"	"DSSTox_21164"	"GABAR1"	"Insecticide"	"amine cyclo"	"amine"	0	1	0	1
"C110872"	"110-87-2"	"3,4-Dihydro-2H-pyran"	"DSSTox_41426"	""	"UNK; inert /excipient"	"ether cyclo"	NA	0	0	1	1
"C110918"	"110-91-8"	"Morpholine"	"DSSTox_25688"	""	"Solvent"	"morpholine"	NA	0	0	1	1
"C110974"	"110-97-4"	"Diisopropanolamine"	"DSSTox_20179"	""	"Industrial intermediate"	"alcohol-2 amine"	"alcohol amine"	0	0	1	1
"C11099073"	"11099-07-3"	"Glyceryl stearates"	"DSSTox_29304"	""	"Emulsifier"	"alcohol-2 carboxylate"	"alcohol"	0	0	1	1
"C111115"	"111-11-5"	"Methyl octanoate"	"DSSTox_26864"	""	"Industrial intermediate/ Flavor ingredient"	"carboxylate"	"carboxylate"	0	1	0	1
"C111148"	"111-14-8"	"Heptanoic acid"	"DSSTox_21600"	""	"Lubricant/Flavor ingredient/ natural product"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C111159"	"111-15-9"	"2-Ethoxyethyl acetate"	"DSSTox_21928"	""	"Solvent"	"carboxylate ether"	NA	0	1	0	1
"C1111780"	"1111-78-0"	"Ammonium carbamate"	"DSSTox_27360"	""	"Fertilizers/chemical reactant"	"carbamate"	"carbamate"	0	1	1	1
"C111206"	"111-20-6"	"Decanedioic acid"	"DSSTox_26867"	""	"Industrial reactant"	"carboxylic acid di"	"carboxylic acid"	0	0	1	1
"C111217"	"111-21-7"	"Triethylene glycol diacetate"	"DSSTox_26223"	""	"Plastics"	"carboxylate alkoxy"	NA	0	1	0	1
"C1112396"	"1112-39-6"	"Dimethoxydimethylsilane"	"DSSTox_42379"	""	"Industrial reactant"	"silicate"	"silicate"	0	0	1	1
"C111273"	"111-27-3"	"1-Hexanol"	"DSSTox_21931"	""	"Industrial reactant/Flavor ingredient"	"alcohol pri"	"alcohol"	0	0	1	1
"C111308"	"111-30-8"	"Glutaraldehyde"	"DSSTox_25355"	""	"Industrial intermediate/biocode"	"aldehyde di"	"aldehyde"	0	1	1	1
"C111400"	"111-40-0"	"Diethylenetriamine"	"DSSTox_25050"	""	"Solvent"	"amine pri sec"	"amine"	0	0	1	1
"C111422"	"111-42-2"	"Diethanolamine"	"DSSTox_21932"	""	"Surfactant"	"alcohol-2 amine"	"alcohol amine"	0	1	0	1
"C111444"	"111-44-4"	"Bis(2-chloroethyl) ether"	"DSSTox_20168"	""	"Solvent/fumigant"	"ether halide"	NA	0	1	0	1
"C111466"	"111-46-6"	"Diethylene glycol"	"DSSTox_20462"	""	"Solvent/Industrial reactant"	"alcohol-2 alkoxy"	"alcohol ether"	0	1	0	1
"C1114712"	"1114-71-2"	"Pebulate"	"DSSTox_21199"	"cyp19a1 (?)"	"Herbicide"	"thiocarbamate"	"carbamate"	0	0	1	1
"C111499"	"111-49-9"	"Hexamethyleneimine"	"DSSTox_26879"	""	"Industrial reactant"	"amine cyclo"	"amine"	0	0	1	1
"C111557"	"111-55-7"	"1,2-Ethanediol diacetate"	"DSSTox_26880"	""	"Solvent"	"carboxylate alkoxy"	NA	0	0	1	1
"C111626"	"111-62-6"	"Ethyl oleate"	"DSSTox_47633"	""	"Solvent/food additive/natural product"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C111693"	"111-69-3"	"Hexanedinitrile"	"DSSTox_21936"	""	"Industrial reactant"	"nitrile"	NA	0	1	0	1
"C111706"	"111-70-6"	"1-Heptanol"	"DSSTox_21937"	""	"Industrial intermediate/Solvent"	"alcohol pri"	"alcohol"	0	0	1	1
"C111717"	"111-71-7"	"Heptanal"	"DSSTox_21597"	""	"Fragrance/Chemical reactant"	"aldehyde"	"aldehyde"	0	0	1	1
"C111762"	"111-76-2"	"2-Butoxyethanol"	"DSSTox_24097"	""	"Solvent"	"alcohol pri ether"	"alcohol ether"	0	1	0	1
"C111773"	"111-77-3"	"Diethylene glycol monomethyl ether"	"DSSTox_25049"	""	"Solvent"	"alcohol pri alkoxy"	"alcohol alkoxy"	0	1	0	1
"C111812589"	"111812-58-9"	"Fenpyroximate (Z,E)"	"DSSTox_32550"	"Mitochondria"	"Insecticide"	"phenyl-pyrazole [O] benzoate"	NA	1	0	0	1
"C111820"	"111-82-0"	"Methyl dodecanoate"	"DSSTox_26889"	""	"Flavor ingredient/industrial intermediate"	"carboxylate"	"carboxylate"	0	1	0	1
"C111842"	"111-84-2"	"Nonane"	"DSSTox_25796"	""	"Solvent"	"alkane"	"alkane"	0	0	1	1
"C1118463"	"1118-46-3"	"Butyltin trichloride"	"DSSTox_29210"	""	"degradation product of dibutyltin and tributyltin/industrial intermediate"	"organometallic"	"organometallic"	0	0	1	1
"C111875"	"111-87-5"	"1-Octanol"	"DSSTox_21940"	""	"Fragrance ingredient/Solvent"	"alcohol pri"	"alcohol"	0	1	0	1
"C1118929"	"1118-92-9"	"N,N-Dimethyloctanamide"	"DSSTox_27364"	""	"Emulsifier/Solvent"	"amide"	"amide"	0	0	1	1
"C111900"	"111-90-0"	"2-(2-Ethoxyethoxy)ethanol"	"DSSTox_21941"	""	"Solvent"	"alcohol pri alkoxy"	"alcohol alkoxy"	0	1	0	1
"C1119400"	"1119-40-0"	"Dimethyl glutarate"	"DSSTox_25122"	""	"Industrial reactant"	"carboxylate di"	"carboxylate"	0	1	0	1
"C111966"	"111-96-6"	"Bis(2-methoxyethyl) ether"	"DSSTox_24621"	""	"Solvent/Industrial intermediate"	"alkoxy"	NA	0	1	0	1
"C111988499"	"111988-49-9"	"Thiacloprid"	"DSSTox_34961"	"CHRNA2"	"Insecticide"	"thiazole nitrole chloride"	NA	1	0	0	1
"C111991094"	"111991-09-4"	"Nicosulfuron"	"DSSTox_34764"	"ALS"	"Herbicide"	"metsulfuron-like"	NA	0	0	1	1
"C1120010"	"1120-01-0"	"Sodium hexyldecyl sulfate"	"DSSTox_42400"	""	"Surfactant"	"sulfuric acid alkyl"	""	0	1	0	1
"C1120043"	"1120-04-3"	"Octadecyl sulfate sodium salt"	"DSSTox_47103"	""	"Surfactant"	"sulfuric acid alkyl"	""	0	0	1	1
"C112005"	"112-00-5"	"Dodecyltrimethylammonium chloride"	"DSSTox_26900"	""	"Bactericide"	"quaternary ammonium salt"	NA	0	1	0	1
"C1120214"	"1120-21-4"	"Undecane"	"DSSTox_21689"	""	"Gasoline/Solvent"	"alkane"	"alkane"	0	1	0	1
"C112050"	"112-05-0"	"Nonanoic acid"	"DSSTox_21641"	""	"Natural product/Industrial reactant/bactericide"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C1120714"	"1120-71-4"	"1,3-Propane sultone"	"DSSTox_21195"	""	"Industrial imtermediate"	"sulfate alkyl"	NA	0	1	0	1
"C112072"	"112-07-2"	"2-Butoxyethyl acetate"	"DSSTox_26904"	""	"Solvent"	"carboxylate ether"	NA	0	0	1	1
"C112129"	"112-12-9"	"2-Undecanone"	"DSSTox_21943"	""	"Solvent/repellant"	"ketone"	"ketone"	0	0	1	1
"C112141"	"112-14-1"	"Octyl acetate"	"DSSTox_44202"	""	"Flavor agent"	"carboxylate"	"carboxylate"	0	0	1	1
"C112185"	"112-18-5"	"N,N-Dimethyldodecan-1-amine"	"DSSTox_26906"	""	"Industrial imtermediate/emulsifier"	"amine ter"	"amine"	0	0	1	1
"C112226616"	"112226-61-6"	"Halofenozide"	"DSSTox_32619"	"Ecdysone receptor"	"Insecticide"	"phenyl amide halide"	"phenyl halide"	0	0	1	1
"C112254"	"112-25-4"	"2-(Hexyloxy)ethanol"	"DSSTox_26908"	""	"Solvent/Industrial imtermediate"	"alcohol pri ether"	"alcohol ether"	0	1	0	1
"C112276"	"112-27-6"	"Triethylene glycol"	"DSSTox_21393"	""	"Solvent/fragrance ingredient"	"alcohol-2 alkoxy"	"alcohol alkoxy"	0	1	0	1
"C112281773"	"112281-77-3"	"Tetraconazole"	"DSSTox_34956"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C112301"	"112-30-1"	"1-Decanol"	"DSSTox_21946"	""	"Industrial reactant"	"alcohol pri"	"alcohol"	0	1	0	1
"C112312"	"112-31-2"	"Decanal"	"DSSTox_21553"	""	"Flavor ingredient/fragrance"	"aldehyde"	"aldehyde"	0	0	1	1
"C112345"	"112-34-5"	"2-(2-Butoxyethoxy)ethanol"	"DSSTox_21519"	""	"Solvent"	"alcohol pri alkoxy"	"alcohol alkoxy"	0	1	0	1
"C112356"	"112-35-6"	"2-[2-(2-Methoxyethoxy)ethoxy]ethanol"	"DSSTox_26912"	""	"Solvent/plasticizer/industrial reactant"	"alcohol pri alkoxy"	""	0	0	1	1
"C112389"	"112-38-9"	"10-Undecenoic acid"	"DSSTox_35001"	""	"Anti-fungal/flavor ingredient"	"carboxylic acid ene"	""	0	1	0	1
"C112410238"	"112410-23-8"	"Tebufenozide"	"DSSTox_34948"	"Ecdysone receptor"	"Insecticide"	"phenyl-phenyl [amide]"	NA	1	0	0	1
"C112425"	"112-42-5"	"1-Undecanol"	"DSSTox_26915"	""	"Flavor ingredient/fragrance"	"alcohol pri"	""	0	1	0	1
"C112492"	"112-49-2"	"Triethylene glycol dimethyl ether"	"DSSTox_26224"	""	"Solvent"	"alkoxy"	NA	0	1	0	1
"C112505"	"112-50-5"	"2-[2-(2-Ethoxyethoxy)ethoxy]ethanol"	"DSSTox_24368"	""	"Brake fluid"	"alcohol pri alkoxy"	"alcohol alkoxy"	0	1	0	1
"C112529154"	"112529-15-4"	"Pioglitazone hydrochloride"	"DSSTox_44203"	"PPARG"	"Pharmaceutical"	"Pharma Class 3.184"	NA	0	1	0	1
"C112538"	"112-53-8"	"1-Dodecanol"	"DSSTox_26918"	""	"Industrial reactant/flavor ingredient"	"alcohol pri"	"alcohol"	0	1	0	1
"C112550"	"112-55-0"	"1-Dodecanethiol"	"DSSTox_25220"	""	"Industrial reactant"	"sulfide alkyl"	NA	0	0	1	1
"C112607"	"112-60-7"	"Tetraethylene glycol"	"DSSTox_26922"	""	"Solvent"	"alcohol-2 alkoxy"	"alcohol alkoxy"	0	0	1	1
"C112630"	"112-63-0"	"Methyl linoleate"	"DSSTox_20843"	""	"Food and fragrance use"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C112709"	"112-70-9"	"1-Tridecanol"	"DSSTox_21947"	""	"lubricant/intermediate"	"alcohol pri"	"alcohol"	0	1	0	1
"C112721"	"112-72-1"	"1-Tetradecanol"	"DSSTox_26926"	""	"Chemical intermediate"	"alcohol pri"	"alcohol"	0	1	0	1
"C112733069"	"112733-06-9"	"Zenarestat"	"DSSTox_47296"	"AKR1Bx"	"Unknown; primarily a drug"	"phenyl halide carboxylic acid"	NA	0	1	0	1
"C112801"	"112-80-1"	"Oleic acid"	"DSSTox_25809"	"Unknown"	"Herbicide"	"carboxylic acid ene"	"carboxylic acid"	0	0	1	1
"C112809515"	"112809-51-5"	"Letrozole"	"DSSTox_23202"	"CYP19A1"	"Pharmaceutical"	"conazole (triazoles)"	"conazole"	0	0	1	1
"C113136779"	"113136-77-9"	"Cyclanilide"	"DSSTox_32600"	""	"Plant growth regulator"	"phenyl amide chloro carboxylic acid"	NA	1	0	0	1
"C1134232"	"1134-23-2"	"Cycloate"	"DSSTox_32356"	"cyp19a1 (?)"	"Herbicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C113484"	"113-48-4"	"MGK-264"	"DSSTox_32562"	"Unknown"	"Pesticide Synergist"	"phthalimide"	NA	1	0	0	1
"C113734182"	"113734-18-2"	"CP-114271"	"DSSTox_47274"	"ADRB3"	"Pharmaceutical"	"Pharma Class 4.166"	NA	0	1	0	1
"C114078"	"114-07-8"	"Erythromycin"	"DSSTox_22991"	"Bacterial target"	"Pharmaceutical"	"Pharma Class 4.193"	NA	0	1	0	1
"C114261"	"114-26-1"	"Propoxur"	"DSSTox_21948"	"ACHE"	"Insecticide"	"phenol ethoxylate carbamate"	NA	1	0	0	1
"C114311329"	"114311-32-9"	"Imazamox"	"DSSTox_34664"	"ALS"	"Herbicide"	"imidazolinone pyridine carboxylic acid"	NA	1	0	0	1
"C1143380"	"1143-38-0"	"Anthralin"	"DSSTox_24538"	"Unknown"	"Pharmaceutical"	"phenol-phenol [CO:C]"	"phenol"	0	1	0	1
"C114369436"	"114369-43-6"	"Fenbuconazole"	"DSSTox_32548"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C115286"	"115-28-6"	"Chlorendic acid"	"DSSTox_20268"	""	"Herbicide"	"polychloro-bicycle carboxylic acid"	"polychloro-bicycle"	0	1	0	1
"C115297"	"115-29-7"	"Endosulfan"	"DSSTox_20560"	"GABAR1"	"Insecticide"	"polychloro-bicycle sulfate"	"polychloro-bicycle"	1	0	0	1
"C115322"	"115-32-2"	"Dicofol"	"DSSTox_20450"	"Ion channel"	"Insecticide"	"phenyl-phenyl [C] alcohol halide"	NA	1	0	0	1
"C115399"	"115-39-9"	"Bromophenol blue"	"DSSTox_41682"	""	"Dye"	"phenol-phenol [Cn] sulfate halide"	"phenol"	0	0	1	1
"C1156190"	"1156-19-0"	"Tolazamide"	"DSSTox_21358"	"KCNJx"	"Pharmaceutical"	"phenyl sulfonamide amine"	NA	0	1	0	1
"C115775"	"115-77-5"	"Pentaerythritol"	"DSSTox_26943"	""	"Manufacture of explosives"	"alcohol-4"	"alcohol"	0	1	1	1
"C115866"	"115-86-6"	"Triphenyl phosphate"	"DSSTox_21952"	""	"Plasticizer/fire retardant"	"phenyl phosphate"	NA	0	1	0	1
"C115957"	"115-95-7"	"Linalyl acetate"	"DSSTox_26946"	""	"Fragarance/Natural Product"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C115968"	"115-96-8"	"Tris(2-chloroethyl) phosphate"	"DSSTox_21411"	""	"Flame retardant"	"phosphate alkyl halide"	NA	0	1	0	1
"C116029"	"116-02-9"	"3,3,5-Trimethylcyclohexanol"	"DSSTox_41815"	""	"Fragrance/additive"	"alcohol sec alkane cyclo"	"alcohol"	0	0	1	1
"C116063"	"116-06-3"	"Aldicarb"	"DSSTox_39223"	"ACHE"	"Insecticide"	"carbamate"	"carbamate"	1	0	0	1
"C116255482"	"116255-48-2"	"Bromuconazole"	"DSSTox_32531"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	0	0	1	1
"C116256"	"116-25-6"	"1-(Hydroxymethyl)-5,5-dimethylhydantoin"	"DSSTox_35152"	""	"Fungicide/Herbicide/Biocide"	"hydantoin"	NA	0	1	0	1
"C1166525"	"1166-52-5"	"Dodecyl gallate"	"DSSTox_48189"	""	"Antioxidant"	"gallate"	"phenol"	0	0	1	1
"C116714466"	"116714-46-6"	"Novaluron"	"DSSTox_34773"	"Unknown"	"Insecticide"	"phenyl phenylurea perfluoro"	NA	1	0	0	1
"C117088"	"117-08-8"	"Tetrachlorophthalic anhydride"	"DSSTox_26102"	""	"Flame retardant/chemical intermediate"	"phthalate anhydride"	"phthalate"	0	0	1	1
"C117337196"	"117337-19-6"	"Fluthiacet-methyl"	"DSSTox_32556"	"Unknown"	"Herbicide"	"conazole (imidazoles)"	"conazole"	1	0	0	1
"C117395"	"117-39-5"	"Quercetin"	"DSSTox_21218"	"NQO2"	"Natural product"	"genistein-like"	NA	0	1	0	1
"C117428225"	"117428-22-5"	"Picoxystrobin"	"DSSTox_47542"	"Mitochondria"	"Fungidide"	"strobin"	NA	0	1	0	1
"C117718602"	"117718-60-2"	"Thiazopyr"	"DSSTox_32488"	"Unknown"	"Herbicide"	"pyridine thiazole carboxylate fluoride"	NA	1	0	0	1
"C117793"	"117-79-3"	"2-Aminoanthraquinone"	"DSSTox_20068"	""	"chemical intermediate (dyes and pharmaceuticals)"	"anthraquinone"	NA	0	1	0	1
"C117806"	"117-80-6"	"Dichlone"	"DSSTox_20425"	"Unknown"	"Fungicide"	"naphthalane one halide"	NA	0	0	1	1
"C117817"	"117-81-7"	"Di(2-ethylhexyl) phthalate"	"DSSTox_20607"	""	"Plastics"	"phthalate"	"phthalate"	1	0	0	1
"C117840"	"117-84-0"	"Dioctyl phthalate"	"DSSTox_21956"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C117997"	"117-99-7"	"2-Hydroxybenzophenone"	"DSSTox_47879"	""	"UV stabilizer"	"phenol-phenyl [CO]"	"phenol"	0	0	1	1
"C118134308"	"118134-30-8"	"Spiroxamine"	"DSSTox_34212"	""	"Fungicide"	"amine ter ether cyclo"	NA	1	0	0	1
"C118478"	"118-47-8"	"1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-"	"DSSTox_41273"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C118525"	"118-52-5"	"1,3-Dichloro-5,5-dimethylhydantoin"	"DSSTox_24985"	""	"Chemical reactant/disinfectant"	"hydantoin"	NA	0	1	0	1
"C118558"	"118-55-8"	"Phenyl salicylate"	"DSSTox_21957"	""	"Chemical reactant/Drug"	"salicylate"	NA	0	0	1	1
"C118569"	"118-56-9"	"3,3,5-Trimethylcyclohexyl salicylate"	"DSSTox_26241"	""	"Antioxidant/sun screen"	"salicylate"	NA	0	0	1	1
"C118581"	"118-58-1"	"Benzyl salicylate"	"DSSTox_24598"	""	"Fragrance ingredient/Natural product"	"salicylate"	NA	0	0	1	1
"C118718"	"118-71-8"	"Maltol"	"DSSTox_25523"	""	"Fragrance ingredient/Natural product"	"flavone"	NA	0	1	0	1
"C118796"	"118-79-6"	"2,4,6-Tribromophenol"	"DSSTox_21959"	""	"Antiseptic/chemical intermediate"	"phenol halide"	"phenol halide"	0	0	1	1
"C118821"	"118-82-1"	"4,4'-Methylenebis(2,6-di-t-butylphenol)"	"DSSTox_22411"	""	"Antioxidant"	"phenol-phenol [C]"	"phenol"	0	0	1	1
"C1189088"	"1189-08-8"	"1,3-Butyleneglycol dimethacrylate"	"DSSTox_44784"	""	"Industrial reactant"	"carboxylate di"	"carboxylate"	0	0	1	1
"C118934"	"118-93-4"	"2-Hydroxyacetophenone"	"DSSTox_40285"	""	"Flavor ingredient"	"phenol ketone"	NA	0	0	1	1
"C119073"	"119-07-3"	"Octyl decyl phthalate"	"DSSTox_47497"	""	"Plastics"	"phthalate"	"phthalate"	0	0	1	1
"C1191500"	"1191-50-0"	"Sodium myristyl sulfate"	"DSSTox_42416"	""	"Surfactant"	"sulfuric acid alkyl"	""	0	1	0	1
"C119168773"	"119168-77-3"	"Tebufenpyrad"	"DSSTox_34223"	"Mitochondria"	"Insecticide"	"phenyl halide pyrazole carboxamide"	NA	1	0	0	1
"C1192525"	"1192-52-5"	"4,5-Dichloro-3H-1,2-dithiol-3-one"	"DSSTox_32518"	""	"Mictobicide"	"thiazole one chloro"	NA	0	0	1	1
"C119368"	"119-36-8"	"Methyl salicylate"	"DSSTox_25659"	""	"Flavor ingredient/antiseptic"	"salicylate"	NA	0	1	0	1
"C119446683"	"119446-68-3"	"Difenoconazole"	"DSSTox_32372"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C1194656"	"1194-65-6"	"Dichlobenil"	"DSSTox_32365"	"Unknown"	"Herbicide"	"phenyl halide nitrile"	NA	1	0	0	1
"C119471"	"119-47-1"	"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)"	"DSSTox_20870"	""	"Antioxidant"	"phenol-phenol [C]"	"phenol"	0	0	1	1
"C119515387"	"119515-38-7"	"Icaridin"	"DSSTox_34227"	"Unknown"	"Insect repellant"	"piperidine carboxylic acid"	NA	1	0	0	1
"C119539"	"119-53-9"	"Benzoin"	"DSSTox_20144"	""	"Flavor ingredient/antiseptic"	"phenyl-phenyl [COC] alcohol"	NA	0	0	1	1
"C119619"	"119-61-9"	"Benzophenone"	"DSSTox_21961"	""	"Flavor ingredient/chemical reactant"	"phenyl-phenyl [CO]"	"phenyl"	0	1	0	1
"C119642"	"119-64-2"	"Tetralin"	"DSSTox_26118"	""	"Solvent"	"phenyl"	NA	0	0	1	1
"C119904"	"119-90-4"	"3,3'-Dimethoxybenzidine"	"DSSTox_25091"	""	"Chemical intermediate (dyes)"	"aniline-aniline phenoxy"	"aniline"	0	1	0	1
"C119937"	"119-93-7"	"3,3'-Dimethylbenzidine"	"DSSTox_24059"	""	"Chemical intermediate (dyes)"	"aniline-aniline"	"aniline"	0	1	0	1
"C120068373"	"120068-37-3"	"Fipronil"	"DSSTox_34609"	"GABARx [ GABAR1 ]"	"Insecticide"	"thiazole nitrole chloride"	NA	1	0	0	1
"C120116883"	"120116-88-3"	"Cyazofamid"	"DSSTox_34492"	"Mitochondria"	"Fungicide"	"thiazole nitrole chloride"	NA	1	0	0	1
"C120127"	"120-12-7"	"Anthracene"	"DSSTox_23878"	""	"Chemical intermediate (dyes)/natural product"	"PAH"	NA	0	1	0	1
"C120149"	"120-14-9"	"Veratraldehyde"	"DSSTox_26285"	""	"Flavor ingredient"	"phenol ethoxylate aldehyde"	NA	0	0	1	1
"C120183"	"120-18-3"	"Naphthalene-2-sulfonic acid"	"DSSTox_44788"	""	"Detergents"	"naphthalene sulfuric acid"	NA	0	0	1	1
"C120321"	"120-32-1"	"Clorophene"	"DSSTox_20154"	""	"Microbicide"	"phenol-phenyl [C] halide"	"phenol halide"	1	1	0	1
"C120365"	"120-36-5"	"Dichlorprop"	"DSSTox_20440"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	1	0	0	1
"C120467"	"120-46-7"	"1,3-Diphenyl-1,3-propanedione"	"DSSTox_41247"	""	"plastics additive"	"phenyl-phenyl [COCCO]"	"phenyl"	0	0	1	1
"C120478"	"120-47-8"	"Ethylparaben"	"DSSTox_22528"	""	"Microbicide"	"paraben"	"phenol"	0	1	1	1
"C120511731"	"120511-73-1"	"Anastrozole"	"DSSTox_22607"	"CYP19A1"	"Pharmaceutical"	"conazole (triazoles)"	"conazole"	0	0	1	1
"C120514"	"120-51-4"	"Benzyl benzoate"	"DSSTox_29153"	""	"chemical additive/Drug"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C120558"	"120-55-8"	"Diethylene glycol dibenzoate"	"DSSTox_26967"	""	"Plasticizer"	"phenyl carboxylate alkoxy"	"phenyl carboxylate"	0	1	0	1
"C120569"	"120-56-9"	"Triethylene glycol dibenzoate"	"DSSTox_29611"	""	"plastics/sealant"	"phenyl carboxylate alkoxy"	"phenyl carboxylate"	0	0	1	1
"C120616"	"120-61-6"	"Dimethyl terephthalate"	"DSSTox_20498"	""	"Industrial reactant"	"phthalate tere"	"phthalate"	0	1	0	1
"C120650"	"120-65-0"	"2-((Dimethylamino)methyl)phenol"	"DSSTox_41293"	""	"Unclassified"	"phenol amine"	"phenol amine"	0	0	1	1
"C120718"	"120-71-8"	"2-Methoxy-5-methylaniline"	"DSSTox_20350"	""	"Chemical intermediate (dyes)"	"aniline alkoxy"	NA	0	1	0	1
"C120729"	"120-72-9"	"Indole"	"DSSTox_20737"	""	"Flavor/Chemical reagent, intermediate"	"benzopyrole"	NA	0	0	1	1
"C120809"	"120-80-9"	"Catechol"	"DSSTox_20257"	""	"Antioxidant/chemical reactant"	"phenol-2"	"phenol"	0	1	0	1
"C120821"	"120-82-1"	"1,2,4-Trichlorobenzene"	"DSSTox_21965"	""	"dielectric fluid/Chemical intermediate"	"phenyl halide"	"phenyl halide"	0	1	0	1
"C120832"	"120-83-2"	"2,4-Dichlorophenol"	"DSSTox_20439"	""	"chemical reactant"	"phenol halide"	"phenol halide"	0	1	0	1
"C120923"	"120-92-3"	"Cyclopentanone"	"DSSTox_29154"	""	"Chemical intermediate"	"ketone cycloalkyl"	"ketone"	0	0	1	1
"C120956"	"120-95-6"	"2,4-Bis(2-methylbutan-2-yl)phenol"	"DSSTox_26974"	""	"Chemical intermediate"	"phenol alkyl"	"phenol"	0	1	0	1
"C121006"	"121-00-6"	"2-tert-Butyl-4-methoxyphenol"	"DSSTox_40788"	""	"Oxidation inhibitor/preservative"	"phenol alkoxy"	"phenol alkoxy"	0	1	0	1
"C12108133"	"12108-13-3"	"Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-"	"DSSTox_27738"	""	"Additive"	"organometallic"	"organometallic"	0	0	1	1
"C121142"	"121-14-2"	"2,4-Dinitrotoluene"	"DSSTox_20529"	""	"Chemical intermediate"	"phenyl nitro di"	"phenyl nitro"	0	1	0	1
"C121324"	"121-32-4"	"3-Ethoxy-4-hydroxybenzaldehyde"	"DSSTox_21968"	""	"Flavor/Fragrance/chemical reactant"	"phenol alkoxy aldehyde"	""	0	0	1	1
"C121335"	"121-33-5"	"4-Hydroxy-3-methoxybenzaldehyde"	"DSSTox_21969"	""	"Flavor/Fragrance/natural product"	"phenol alkoxy aldehyde"	NA	0	1	0	1
"C121391"	"121-39-1"	"Ethyl 3-phenylglycidate"	"DSSTox_25886"	""	"Flavor/Fragrance"	"phenyl carboxylate epoxide"	NA	0	0	1	1
"C1214397"	"1214-39-7"	"N-Benzyladenine"	"DSSTox_32630"	""	"Plant growth regulator"	"phenyl-diazine [N]"	NA	0	0	1	1
"C121552612"	"121552-61-2"	"Cyprodinil"	"DSSTox_32359"	"Unknown"	"Fungicide"	"phenyl-diazine [N]"	NA	1	0	0	1
"C121697"	"121-69-7"	"N,N-Dimethylaniline"	"DSSTox_20507"	""	"chemical reactant"	"aniline alkylate"	"aniline alkylate"	0	1	0	1
"C121755"	"121-75-5"	"Malathion"	"DSSTox_20791"	"ACHE"	"Insecticide"	"thiophosphate carboxylate"	NA	1	0	0	1
"C121799"	"121-79-9"	"Propyl gallate"	"DSSTox_21201"	""	"antioxidant"	"gallate"	"phenol"	0	1	0	1
"C121915"	"121-91-5"	"1,3-Benzenedicarboxylic acid"	"DSSTox_21485"	""	"chemical reactant"	"phenyl carboxylic acid di"	"phenyl carboxylic acid"	0	1	0	1
"C1219381"	"1219-38-1"	"Octylparaben"	"DSSTox_47957"	""	"Microbicide"	"paraben"	"phenol"	0	0	1	1
"C122008859"	"122008-85-9"	"Cyhalofop-butyl"	"DSSTox_34503"	"ACACA"	"Hericide"	"pyrethroid ester"	NA	1	0	0	1
"C122145"	"122-14-5"	"Fenitrothion"	"DSSTox_32613"	"ACHE"	"Insecticide"	"phenyl thiophosphate nitrate"	NA	1	0	0	1
"C122203"	"122-20-3"	"Triisopropanolamine"	"DSSTox_21415"	""	"emulsifying agent"	"alcohol-3 amine"	"alcohol amine"	0	0	1	1
"C122349"	"122-34-9"	"Simazine"	"DSSTox_21268"	"Unknown"	"Herbicide"	"triazine chloro"	NA	1	0	0	1
"C122394"	"122-39-4"	"Diphenylamine"	"DSSTox_21975"	""	"antioxidant/chemical reactant"	"phenyl-phenyl [N]"	"phenyl"	1	0	0	1
"C122407"	"122-40-7"	"Pentylcinnamaldehyde"	"DSSTox_29157"	""	"Flavor/Fragrance"	"phenyl aldehyde"	"aldehyde"	0	0	1	1
"C122429"	"122-42-9"	"Propham"	"DSSTox_20766"	"Microtuble"	"Herbicide"	"phenyl carbamate"	"carbamate"	0	0	1	1
"C122453730"	"122453-73-0"	"Chlorfenapyr"	"DSSTox_32533"	"Unknown"	"Insecticide"	"phenyl-pyrole ether halide nitrile fluoride"	NA	0	0	1	1
"C122510"	"122-51-0"	"Ethyl orthoformate"	"DSSTox_41957"	""	"chemical reactant"	"ether"	NA	0	0	1	1
"C122576"	"122-57-6"	"Methyl styryl ketone"	"DSSTox_25662"	""	"chemical reactant/flavoring agent"	"phenyl ketone"	NA	0	0	1	1
"C122667"	"122-66-7"	"1,2-Diphenylhydrazine"	"DSSTox_20710"	""	"Chemical intermediate"	"phenyl-phenyl [NN]"	"phenyl"	0	1	0	1
"C122781"	"122-78-1"	"Phenylacetaldehyde"	"DSSTox_21483"	""	"Chemical intermediate/flavor/fragrance"	"phenyl aldehyde"	"aldehyde"	0	0	1	1
"C122836355"	"122836-35-5"	"Sulfentrazone"	"DSSTox_32645"	"PPO"	"Herbicide"	"sulfonanilide triazolopyrimidine"	NA	1	0	0	1
"C122883"	"122-88-3"	"4-Chlorophenoxyacetic acid"	"DSSTox_34282"	""	"Plant growth regulator"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C122996"	"122-99-6"	"2-Phenoxyethanol"	"DSSTox_21976"	""	"Fragrance/chemical intermediate/solvent"	"phenol ethoxylate alcohol"	NA	1	0	0	1
"C123002"	"123-00-2"	"4-Morpholinepropanamine"	"DSSTox_41521"	""	"Chemical intermediate"	"morpholine"	NA	0	0	1	1
"C123057"	"123-05-7"	"2-Ethylhexanal"	"DSSTox_25291"	""	"disinfectant/chemical intermediate"	"ketone"	"ketone"	0	0	1	1
"C123079"	"123-07-9"	"4-Ethylphenol"	"DSSTox_21977"	""	"Flavor/chemical reactant"	"phenol alkyl"	"phenol"	0	0	1	1
"C123115"	"123-11-5"	"4-Methoxybenzaldehyde"	"DSSTox_26997"	""	"Flavors/fragrances/natural product"	"phenol ethoxylate aldehyde"	NA	0	0	1	1
"C123122554"	"123122-55-4"	"Candoxatril"	"DSSTox_47286"	"ACE"	"Pharmaceutical"	"Pharma Class 4.196"	NA	0	1	0	1
"C123171"	"123-17-1"	"2,6,8-Trimethyl-4-nonanol"	"DSSTox_29159"	""	"solvent/chemical intermediate/pesticide adjuvant"	"alcohol sec"	"alcohol"	0	0	1	1
"C123251"	"123-25-1"	"Diethyl butanedioate"	"DSSTox_38732"	""	"Flavoring agent"	"carboxylate di"	"carboxylate"	0	1	0	1
"C123312890"	"123312-89-0"	"Pymetrozine"	"DSSTox_32637"	"Unknown"	"Insecticide"	"benzimidazolyl carbamate"	NA	1	0	0	1
"C123319"	"123-31-9"	"Hydroquinone"	"DSSTox_20716"	""	"Additive/chemical intermediate"	"phenol-2"	"phenol"	0	1	0	1
"C123331"	"123-33-1"	"Maleic hydrazide"	"DSSTox_20792"	""	"Herbicide"	"pyridazine diol"	NA	1	0	0	1
"C123343168"	"123343-16-8"	"Pyrithiobac-sodium"	"DSSTox_32673"	"Unknown"	"Herbicide"	"pyrimidine thiobenzoic acid"	NA	1	0	0	1
"C123353"	"123-35-3"	"Myrcene"	"DSSTox_25692"	""	"Flavors/fragrances/Additive"	"alkene"	"alkene"	0	1	0	1
"C123422"	"123-42-2"	"Diacetone alcohol"	"DSSTox_24917"	""	"Solvent"	"alcohol sec ketone"	NA	0	1	1	1
"C123660"	"123-66-0"	"Ethyl hexanoate"	"DSSTox_21980"	""	"Chemical reactant/Flavor ingredient"	"carboxylate"	"carboxylate"	0	0	1	1
"C123773"	"123-77-3"	"Azodicarbonamide"	"DSSTox_24553"	""	"Agent in plastics"	"urea"	NA	0	0	1	1
"C123922"	"123-92-2"	"3-Methylbutyl acetate"	"DSSTox_25453"	""	"additive/Flavor ingredient"	"carboxylate"	"carboxylate"	0	1	0	1
"C123966"	"123-96-6"	"2-Octanol"	"DSSTox_27014"	""	"Fragrance ingredient/Solvent"	"alcohol sec"	"alcohol"	0	0	1	1
"C123999"	"123-99-9"	"Nonanedioic acid"	"DSSTox_21640"	""	"chemical reactant/Drug/Natural product"	"carboxylic acid di"	"carboxylic acid"	0	0	1	1
"C124049"	"124-04-9"	"Hexanedioic acid"	"DSSTox_21605"	""	"chemical reactant/flavor ingredient"	"carboxylic acid di"	"carboxylic acid"	0	1	0	1
"C124072"	"124-07-2"	"Octanoic acid"	"DSSTox_21645"	""	"Chemical reactant"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C124094"	"124-09-4"	"1,6-Hexanediamine"	"DSSTox_24922"	""	"Chemical intermediate"	"amine pri"	"amine"	0	0	1	1
"C124130"	"124-13-0"	"Octanal"	"DSSTox_21643"	""	"Flavors/Fragrances/natural product"	"aldehyde"	"aldehyde"	0	1	0	1
"C124185"	"124-18-5"	"Decane"	"DSSTox_24913"	""	"Solvent/chemical intermediate"	"alkane"	"alkane"	0	1	0	1
"C1241947"	"1241-94-7"	"2-Ethylhexyl diphenyl phosphate"	"DSSTox_25300"	""	"Plasticizer/fireproofing"	"phenyl-phenyl [PO4]"	"phenyl"	0	0	1	1
"C124196"	"124-19-6"	"Nonanal"	"DSSTox_21639"	""	"Fragrance ingredient/natural product"	"aldehyde"	"aldehyde"	0	0	1	1
"C124221"	"124-22-1"	"1-Dodecanamine"	"DSSTox_21984"	""	"Surfactant"	"amine pri"	"amine"	0	0	1	1
"C12427382"	"12427-38-2"	"Maneb"	"DSSTox_20794"	"Unknown"	"Fungicide"	"carbamodithioic acid"	NA	1	0	0	1
"C124378774"	"124378-77-4"	"Enadoline"	"DSSTox_47258"	"OPRK1"	"Pharmaceutical"	"Pharma Class 4.196"	NA	0	1	0	1
"C124403"	"124-40-3"	"Dimethylamine"	"DSSTox_24057"	""	"Accelerator in synthesis"	"amine sec"	"amine"	0	0	1	1
"C124495187"	"124495-18-7"	"Quinoxyfen"	"DSSTox_34881"	"GPCRx"	"Herbicide"	"quinoline-phenyl [O] halide"	NA	1	0	0	1
"C124685"	"124-68-5"	"2-Amino-2-methylpropan-1-ol"	"DSSTox_27032"	""	"Chemical reactant/emulsifyer"	"alcohol pri amine pri"	"alcohol amine"	0	0	1	1
"C124765"	"124-76-5"	"Isoborneol"	"DSSTox_42060"	""	"Flavor ingredient"	"alcohol sec alkane cyclo"	"alcohol"	0	0	1	1
"C124947"	"124-94-7"	"Triamcinolone"	"DSSTox_40742"	"NR3C1"	"Pharmaceutical"	"steroid C"	"steroid"	0	1	0	1
"C125116236"	"125116-23-6"	"Metconazole"	"DSSTox_34497"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	0	0	1	1
"C125122"	"125-12-2"	"Isobornyl acetate"	"DSSTox_42061"	""	"Flavor ingredient"	"isobornyl"	NA	0	0	1	1
"C125225287"	"125225-28-7"	"Ipconazole"	"DSSTox_34674"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	0	0	1	1
"C125401925"	"125401-92-5"	"Bispyribac-sodium"	"DSSTox_34383"	"Unknown"	"Herbicide"	"pyrimidine thiobenzoic acid"	NA	0	0	1	1
"C125848"	"125-84-8"	"Aminoglutethimide"	"DSSTox_22589"	"CYP19A1"	"Pharmaceutical"	"aniline carbamate"	NA	0	0	1	1
"C126001"	"126-00-1"	"Diphenolic acid"	"DSSTox_22436"	""	"Plasticizer"	"phenol-phenol [C] carboxylic acid"	"phenol"	0	0	1	1
"C1260179"	"1260-17-9"	"Carminic acid"	"DSSTox_22817"	""	"Dye"	"phenol benzoic acid"	NA	0	1	0	1
"C126067"	"126-06-7"	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	"DSSTox_29162"	""	"Fungicide/disinfectant"	"hydantoin"	NA	0	0	1	1
"C126114"	"126-11-4"	"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"	"DSSTox_27034"	""	"Bactericide/disinfectant"	"alcohol-3 nitro"	NA	0	1	0	1
"C126147"	"126-14-7"	"Sucrose octaacetate"	"DSSTox_42423"	""	"Solvent/flavor ingredient"	"carboxylate multi"	"carboxylate"	0	1	0	1
"C126307"	"126-30-7"	"2,2-Dimethylpropane-1,3-diol"	"DSSTox_27036"	""	"Chemical intermediate"	"alcohol-2"	"alcohol"	0	0	1	1
"C126727"	"126-72-7"	"Tris(2,3-dibromopropyl) phosphate"	"DSSTox_21413"	""	"Flame retardant"	"phosphate alkyl halide"	NA	0	0	1	1
"C126738"	"126-73-8"	"Tributyl phosphate"	"DSSTox_21986"	""	"Solvent/plasticizer/anti-foam aagent"	"phosphate alkyl"	NA	0	1	0	1
"C126833178"	"126833-17-8"	"Fenhexamid"	"DSSTox_32549"	"Unknown"	"Fungicide"	"phenyl amide halide"	"phenyl halide"	1	0	0	1
"C126863"	"126-86-3"	"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"	"DSSTox_27041"	""	"Additive"	"alcohol-2 yne"	"alcohol"	0	1	0	1
"C126921"	"126-92-1"	"Sodium ethasulfate"	"DSSTox_26033"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C126987"	"126-98-7"	"Methacrylonitrile"	"DSSTox_24176"	""	"Chemical reactant"	"nitrile"	NA	0	0	1	1
"C127071"	"127-07-1"	"Hydroxyurea"	"DSSTox_25438"	"DNA"	"Pharmaceutical"	"urea"	NA	0	1	0	1
"C127195"	"127-19-5"	"N,N-Dimethylacetamide"	"DSSTox_20499"	""	"Solvent"	"amide"	"amide"	0	0	1	1
"C127253"	"127-25-3"	"Methyl abietate"	"DSSTox_48190"	""	"Solvent/Fragrance ingredient"	"abietate"	NA	0	0	1	1
"C127308821"	"127308-82-1"	"Zamifenacin"	"DSSTox_47257"	"CHRM3"	"Pharmaceutical"	"Pharma Class 3.292"	NA	0	1	0	1
"C127399"	"127-39-9"	"Sodium 1,4-diisobutyl sulfosuccinate"	"DSSTox_29164"	""	"Insecticide/surfactant"	"sulfuric acid alkyl carboxylate"	"sulfuric acid alkyl"	0	0	1	1
"C127413"	"127-41-3"	"alpha-Ionone"	"DSSTox_35160"	""	"Repellant/flavor ingredient"	"ketone ene"	"ketone"	0	0	1	1
"C127479"	"127-47-9"	"Retinol acetate"	"DSSTox_21240"	""	"Vitamin/natural product"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C127515"	"127-51-5"	"alpha-Isomethylionone"	"DSSTox_27047"	""	"Fragrance ingredient"	"ketone ene"	"ketone"	0	1	0	1
"C128041"	"128-04-1"	"Sodium dimethyldithiocarbamate"	"DSSTox_27050"	""	"Chelator"	"thiocarbamate"	"carbamate"	0	1	0	1
"C128370"	"128-37-0"	"Butylated hydroxytoluene"	"DSSTox_20216"	""	"Anti-oxidant"	"phenol alkyl"	"phenol"	0	0	1	1
"C128392"	"128-39-2"	"2,6-Di-tert-butylphenol"	"DSSTox_27052"	""	"Chemical intermediate/anti-oxidant"	"phenol alkyl"	"phenol"	0	1	0	1
"C128639021"	"128639-02-1"	"Carfentrazone-ethyl"	"DSSTox_32532"	"PPO"	"Herbicide"	"Class 4.257"	NA	1	0	0	1
"C128950"	"128-95-0"	"1,4-Diaminoanthraquinone"	"DSSTox_41252"	""	"Dye"	"anthraquinone"	NA	0	0	1	1
"C129000"	"129-00-0"	"Pyrene"	"DSSTox_24289"	""	"Coal tar (By-product)"	"PAH"	NA	0	1	0	1
"C129066"	"129-06-6"	"Sodium warfarin"	"DSSTox_35010"	"F2"	"Pharmaceutical"	"warfarin-like"	NA	0	0	1	1
"C129179"	"129-17-9"	"Sulfan blue"	"DSSTox_26065"	""	"Dye"	"aniline dye sulfuric acid"	"aniline dye"	0	0	1	1
"C129453618"	"129453-61-8"	"Fulvestrant"	"DSSTox_22369"	"ESR1 ESR2"	"Pharmaceutical"	"steroid E"	"steroid"	0	1	1	1
"C129630199"	"129630-19-9"	"Pyraflufen-ethyl"	"DSSTox_34871"	"Unknown"	"Herbicide"	"pyridine alkoxy carboxylic acid halide"	NA	1	0	0	1
"C1300727"	"1300-72-7"	"Sodium xylenesulfonate"	"DSSTox_26302"	""	"Solvent"	"phenyl sulfuric acid"	NA	0	1	0	1
"C1300738"	"1300-73-8"	"Dimethylaniline"	"DSSTox_27377"	""	"Chemical reactant"	"aniline"	"aniline"	0	0	1	1
"C130143"	"130-14-3"	"Sodium 1-naphthalenesulfonate"	"DSSTox_42394"	""	"Adjuvant; pesticide"	"naphthalene sulfuric acid"	NA	0	0	1	1
"C1303113"	"1303-11-3"	"Indium arsenide"	"DSSTox_23825"	""	"Semi-conductor"	"heavy metal salt"	"organometallic"	0	1	0	1
"C13071799"	"13071-79-9"	"Terbufos"	"DSSTox_22254"	"ACHE"	"Insecticide"	"thiophosphate alkyl"	NA	0	1	1	1
"C131113"	"131-11-3"	"Dimethyl phthalate"	"DSSTox_22455"	""	"Plastics"	"phthalate"	"phthalate"	1	0	0	1
"C131179"	"131-17-9"	"Diallyl phthalate"	"DSSTox_20392"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C131180"	"131-18-0"	"Dipentyl phthalate"	"DSSTox_31131"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C131341861"	"131341-86-1"	"Fludioxonil"	"DSSTox_32398"	"Unknown"	"Fungicide"	"phenyl-pyrole ether nitrile fluoride"	NA	1	0	0	1
"C131555"	"131-55-5"	"2,2',4,4'-Tetrahydroxybenzophenone"	"DSSTox_41306"	""	"UV-absorber (Cosmetics)"	"phenol-phenol [CO]"	"phenol"	0	1	1	1
"C131566"	"131-56-6"	"2,4-Dihydroxybenzophenone"	"DSSTox_22406"	""	"UV-absorber"	"phenol-phenyl [CO]"	"phenol"	0	0	1	1
"C131577"	"131-57-7"	"2-Hydroxy-4-methoxybenzophenone"	"DSSTox_22405"	""	"UV-absorber"	"phenol-phenyl [CO]"	"phenol"	0	0	1	1
"C131704"	"131-70-4"	"Monobutyl phthalate"	"DSSTox_40002"	""	"Metabolite of diisobutyl phthalate (CASRN 84-69-5)"	"phthalate"	"phthalate"	1	0	0	1
"C13171001"	"13171-00-1"	"1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone"	"DSSTox_44536"	""	"Fragrance ingredient"	"phenyl ketone"	NA	0	0	1	1
"C131807573"	"131807-57-3"	"Famoxadone"	"DSSTox_34588"	"Mitochondria"	"Fungicide"	"phenyl-phenyl [O] etc"	NA	1	0	0	1
"C131860338"	"131860-33-8"	"Azoxystrobin"	"DSSTox_32520"	"Mitochondria"	"Fungicide"	"strobin"	NA	1	1	0	1
"C13194484"	"13194-48-4"	"Ethoprop"	"DSSTox_32611"	"ACHE"	"Insecticide"	"thiophosphate alkyl"	NA	1	0	0	1
"C131983727"	"131983-72-7"	"Triticonazole"	"DSSTox_32655"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C1320076"	"1320-07-6"	"C.I. Acid Orange 24, monosodium salt"	"DSSTox_41708"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C1321740"	"1321-74-0"	"Divinylbenzene"	"DSSTox_25216"	""	"Chemical reactant"	"phenyl ene"	NA	0	0	1	1
"C1323199"	"1323-19-9"	"Sodium 2,4,7-tri(propan-2-yl)naphthalene-1-sulfonate"	"DSSTox_44537"	""	"Adjuvant; pesticide"	"naphthalene sulfuric acid"	NA	0	0	1	1
"C1323382"	"1323-38-2"	"Glyceryl monoricinoleate"	"DSSTox_42007"	""	"Emulsifier/chemical intermediate"	"alcohol-3 carboxylate ene"	"alcohol carboxylate"	0	0	1	1
"C13254347"	"13254-34-7"	"2,6-Dimethyl-2-heptanol"	"DSSTox_41424"	""	"Flavor and Fragrance ingredient"	"alcohol ter"	"alcohol"	0	0	1	1
"C132649"	"132-64-9"	"Dibenzofuran"	"DSSTox_21993"	""	"Additive;pesticide"	"benzofuran"	NA	0	1	0	1
"C132650"	"132-65-0"	"Dibenzothiophene"	"DSSTox_47741"	""	"Flavor and Fragrance ingredient"	"benzofuran"	NA	0	0	1	1
"C13292461"	"13292-46-1"	"Rifampicin"	"DSSTox_21244"	"DNA"	"Pharmaceutical"	"Pharma Class 4.44"	NA	0	1	0	1
"C13301616"	"13301-61-6"	"C.I. Disperse Orange 37"	"DSSTox_44538"	""	"Dye"	"phenyl-phenyl [NN] amine nitro nitrile halide"	NA	0	0	1	1
"C133062"	"133-06-2"	"Captan"	"DSSTox_20243"	"Unknown"	"Fungicide"	"phthalimide"	NA	1	0	0	1
"C133073"	"133-07-3"	"Folpet"	"DSSTox_21385"	"Unknown"	"Fungicide"	"phthalimide"	NA	1	0	0	1
"C1330785"	"1330-78-5"	"Tricresyl phosphate"	"DSSTox_21391"	""	"Plasticizer/flame retardant/solvent"	"phenyl phosphate"	NA	0	0	1	1
"C1330865"	"1330-86-5"	"Diisooctyl adipate"	"DSSTox_27388"	""	"Plasticizer"	"carboxylate di"	"carboxylate"	0	0	1	1
"C13311847"	"13311-84-7"	"Flutamide"	"DSSTox_32004"	"AR"	"Pharmaceutical"	"flutamide-like"	NA	0	1	0	1
"C1333397"	"1333-39-7"	"Phenolsulfonic acid"	"DSSTox_27390"	""	"PlasticizerChemical reactant/catalyst"	"phenol sulfuric acid"	NA	0	0	1	1
"C1335462"	"1335-46-2"	"Ionone, methyl-"	"DSSTox_29214"	""	"Fragrance ingredient"	"ketone ene"	"ketone"	0	0	1	1
"C1338438"	"1338-43-8"	"Sorbitan, mono-(9Z)-9-octadecenoate"	"DSSTox_27397"	""	"Surfactant/emulsifier"	"sorbitan-like"	NA	0	1	0	1
"C133855988"	"133855-98-8"	"Epoxiconazole"	"DSSTox_40372"	""	""	""	""	0	0	1	1
"C133904"	"133-90-4"	"Chloramben"	"DSSTox_20262"	"Unknown"	"Herbicide"	"aniline carboxylic acid halide"	NA	0	1	0	1
"C134002601"	"134002-60-1"	"CP-085958"	"DSSTox_47297"	"Unknown"	"Pharmaceutical"	"Pharma Class 4.166"	NA	0	1	0	1
"C134032"	"134-03-2"	"Sodium L-ascorbate"	"DSSTox_20105"	""	"Antioxidant (food)"	"ascorbate"	NA	0	1	0	1
"C134203"	"134-20-3"	"Methyl 2-aminobenzoate"	"DSSTox_25567"	""	"Fragrance ingredient/bird repellant/natural product"	"aniline carboxylate"	NA	0	1	0	1
"C134316"	"134-31-6"	"8-Hydroxyquinoline sulfate"	"DSSTox_25436"	""	"chelating agent/bacteriostat"	"quinoline alcohol"	NA	0	0	1	1
"C134523038"	"134523-03-8"	"Atorvastatin calcium"	"DSSTox_44303"	"HMGCR"	"Pharmaceutical"	"Pharma Class 4.275"	NA	0	0	1	1
"C134605644"	"134605-64-4"	"Butafenacil"	"DSSTox_34365"	"Unknown"	"Herbicide"	"uracil  phanyl halide carboxylate"	NA	1	0	0	1
"C134623"	"134-62-3"	"DEET"	"DSSTox_21995"	"ACHE"	"Insecticide"	"phenyl amide"	NA	1	0	0	1
"C13463417"	"13463-41-7"	"Zinc pyrithione"	"DSSTox_26314"	""	"anti-fungal/anti-bacterial/drug"	"organometallic"	"organometallic"	0	0	1	1
"C135080034"	"135080-03-4"	"CP-100829"	"DSSTox_47304"	"IL1B"	"Pharmaceutical"	"phenyl dicarboximide chloro"	NA	0	1	0	1
"C135158542"	"135158-54-2"	"Acibenzolar-S-methyl"	"DSSTox_32519"	""	"Fungicide/Crop protection"	"benzisothiazole"	NA	1	0	0	1
"C135193"	"135-19-3"	"2-Naphthalenol"	"DSSTox_27061"	""	"Chemical reactant/antioxidant"	"naphthalene alcohol"	"PAH-ol"	0	1	1	1
"C135206"	"135-20-6"	"Cupferron"	"DSSTox_20352"	""	"Analytical reaagent"	"phenyl nitroso"	NA	0	0	1	1
"C135410207"	"135410-20-7"	"Acetamiprid"	"DSSTox_34300"	"CHRNAx [ CHRNA2 CHRNA7 ]"	"Insecticide"	"pyridine amide halide nitrile"	NA	1	0	0	1
"C136458"	"136-45-8"	"Dipropyl pyridine-2,5-dicarboxylate"	"DSSTox_32544"	""	"Insect repellant"	"pyridine carboxylate"	NA	1	0	0	1
"C136607"	"136-60-7"	"Butyl benzoate"	"DSSTox_40694"	""	"Additive and carrier/natural product"	"phenyl carboxylate"	"phenyl carboxylate"	0	1	0	1
"C13674845"	"13674-84-5"	"Tris(2-chloroisopropyl)phosphate"	"DSSTox_26259"	""	"Fire retardant"	"phosphate alkyl halide"	NA	0	0	1	1
"C13674878"	"13674-87-8"	"Tris(1,3-dichloro-2-propyl)phosphate"	"DSSTox_26261"	""	"Fire retardant"	"phosphate alkyl halide"	NA	0	1	0	1
"C136776"	"136-77-6"	"4-Hexylresorcinol"	"DSSTox_20699"	""	"Microbicide"	"phenol alkyl"	"phenol"	0	1	0	1
"C13680358"	"13680-35-8"	"4,4'-Methylenebis(2,6-diethylaniline)"	"DSSTox_48191"	""	"Chemical reactant"	"aniline-aniline [C]"	"aniline"	0	0	1	1
"C13684565"	"13684-56-5"	"Desmedipham"	"DSSTox_34518"	"Unknown"	"Herbicide"	"phenyl-phenyl [carbamate] carbamate"	NA	0	0	1	1
"C13684634"	"13684-63-4"	"Phenmedipham"	"DSSTox_24255"	"Unknown"	"Herbicide"	"phenyl-phenyl [carbamate] carbamate"	NA	0	0	1	1
"C137268"	"137-26-8"	"Thiram"	"DSSTox_21332"	"GSR"	"Fungicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C137304"	"137-30-4"	"Ziram"	"DSSTox_21464"	"Unknown"	"Fungicide"	"thiocarbamate"	"carbamate"	0	1	0	1
"C137428"	"137-42-8"	"Metam-sodium"	"DSSTox_29167"	"Unknown"	"Herbicide"	"thiocarbamate"	"carbamate"	0	0	1	1
"C13755298"	"13755-29-8"	"Sodium tetrafluoroborate"	"DSSTox_21477"	""	"Chemical reactant (fluorinating agent)"	"inorganic"	NA	0	0	1	1
"C137666"	"137-66-6"	"Ascorbyl palmitate"	"DSSTox_41611"	""	"Antioxidant/food preservative"	"sorbitan-like"	NA	0	0	1	1
"C138227"	"138-22-7"	"Butyl lactate"	"DSSTox_42196"	""	"Solvent"	"alcohol sec carboxylate"	"alcohol carboxylate"	0	0	1	1
"C138261413"	"138261-41-3"	"Imidacloprid"	"DSSTox_32442"	"CHRNAx [ CHRNA2 CHRNA7 ]"	"Insecticide"	"pyridine nitroguanidine neonicotinoid"	NA	1	0	0	1
"C13826352"	"13826-35-2"	"3-Phenoxybenzenemethanol"	"DSSTox_27756"	""	"Industrial intermediate (Pesticides)"	"phenyl-phenyl [O] alcohol"	NA	0	0	1	1
"C138863"	"138-86-3"	"Limonene"	"DSSTox_29612"	""	"Flavor ingredient/fragrances/solvent"	"alkene cyclo"	"alkene"	0	0	1	1
"C139026"	"139-02-6"	"Sodium phenolate"	"DSSTox_27072"	""	"Chemical reactant/disinfectant"	"phenol"	"phenol"	0	0	1	1
"C139139"	"139-13-9"	"Nitrilotriacetic acid"	"DSSTox_20939"	""	"Additive"	"amine ter carboxylic acid multi"	NA	0	1	0	1
"C139149556"	"139149-55-6"	"SB202235"	"DSSTox_47318"	"ALOX5"	"Pharmaceutical"	"Pharma Class 4.73"	NA	0	1	0	1
"C139290656"	"139290-65-6"	"Volinanserin"	"DSSTox_47363"	"HTR2A"	"Pharmaceutical"	"Pharma Class 3.292"	NA	0	1	0	1
"C139340560"	"139340-56-0"	"Darbufelone mesylate"	"DSSTox_47246"	"ALOX5"	"Pharmaceutical"	"Pharma Class 4.289"	NA	0	1	0	1
"C139402"	"139-40-2"	"Propazine"	"DSSTox_21196"	"Unknown"	"Herbicide"	"triazine chloro"	NA	1	0	0	1
"C139877"	"139-87-7"	"Ethyl diethanolamine"	"DSSTox_41955"	""	"Chemical Weapons Precursor"	"alcohol-2 amine"	"alcohol amine"	0	0	1	1
"C139888"	"139-88-8"	"7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt"	"DSSTox_41530"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C139968"	"139-96-8"	"Dodecyl sulfate triethanolamine"	"DSSTox_27076"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C140089"	"140-08-9"	"Tris(2-chloroethyl) phosphite"	"DSSTox_26258"	""	"Additive"	"phosphite alkyl halide"	NA	0	0	1	1
"C140103"	"140-10-3"	"Cinnamic acid"	"DSSTox_22489"	""	"Flavor agent/Fragrance agent"	"phenyl carboxylic acid"	"phenyl carboxylic acid"	0	0	1	1
"C140114"	"140-11-4"	"Benzyl acetate"	"DSSTox_20151"	""	"Fragrance/Flavor agent/Solvent"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C1401554"	"1401-55-4"	"Tannic acid"	"DSSTox_26076"	""	"Natural product"	"phenol benzoic acid"	NA	0	1	0	1
"C140318"	"140-31-8"	"1-(2-Aminoethyl)piperazine"	"DSSTox_21997"	""	"Chemical intermediate"	"amine pri sec ter"	"amine"	0	0	1	1
"C140385"	"140-38-5"	"4-Chlorophenylurea"	"DSSTox_41512"	""	"chemical reactant"	"phenyl urea chloro"	""	0	0	1	1
"C140567"	"140-56-7"	"Fenaminosulf"	"DSSTox_40371"	""	"Fungicide"	"aniline alkylate sulfuric acid"	NA	0	1	0	1
"C140647"	"140-64-7"	"Pentamidine isethionate"	"DSSTox_23796"	""	"Microbicide"	"phenyl-phenyl [OCnO] amine"	NA	0	1	0	1
"C140669"	"140-66-9"	"4-(1,1,3,3-Tetramethylbutyl)phenol"	"DSSTox_22360"	""	"Chemical intermediate"	"phenol alkyl"	"phenol"	0	1	1	1
"C140670"	"140-67-0"	"Estragole"	"DSSTox_20575"	""	"Natural product"	"phenol ethoxylate ene"	NA	0	0	1	1
"C140954"	"140-95-4"	"Dimethylolurea"	"DSSTox_25141"	""	"Biocide"	"alcohol-2 urea"	NA	0	0	1	1
"C141048"	"141-04-8"	"Diisobutyl adipate"	"DSSTox_36690"	""	"Plasticizer"	"carboxylate di"	"carboxylate"	0	1	0	1
"C141112290"	"141112-29-0"	"Isoxaflutole"	"DSSTox_34723"	"Unknown"	"Herbicide"	"benzoylpyrazole oxazole"	NA	1	0	0	1
"C141220"	"141-22-0"	"9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-"	"DSSTox_41567"	""	"Contraceptive/component of castor oil/plasticizer/natural product"	"carboxylic acid ene  alcohol sec"	NA	0	0	1	1
"C141322"	"141-32-2"	"Butyl acrylate"	"DSSTox_24676"	""	"Chemical reactant (polymers)"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C141435"	"141-43-5"	"Ethanolamine"	"DSSTox_22000"	""	"Chemical reactant"	"alcohol pri amine pri"	"alcohol amine"	0	1	0	1
"C141517217"	"141517-21-7"	"Trifloxystrobin"	"DSSTox_32580"	"Mitochondria"	"Fungicide"	"phenyl-phenyl [CONC] strobin"	NA	1	0	0	1
"C141662"	"141-66-2"	"Dicrotophos"	"DSSTox_23914"	"ACHE"	"Insecticide"	"phosphate alkyl ene ketone"	NA	1	0	0	1
"C141797"	"141-79-7"	"4-Methylpent-3-en-2-one"	"DSSTox_29170"	""	"Solvent"	"ketone ene"	"ketone"	0	0	1	1
"C142041"	"142-04-1"	"Aniline hydrochloride"	"DSSTox_20091"	""	"Chemical reactant (dyes)"	"aniline"	"aniline"	0	0	1	1
"C142165"	"142-16-5"	"Bis(2-ethylhexyl) maleate"	"DSSTox_27094"	""	"Plasticizer/chemical reactant"	"carboxylate di"	"carboxylate"	0	0	1	1
"C142187"	"142-18-7"	"1-Monolaurin"	"DSSTox_41275"	""	"Emulsifier"	"alcohol-2 carboxylate"	"alcohol"	0	0	1	1
"C142314"	"142-31-4"	"Sodium octyl sulfate"	"DSSTox_36226"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C14233375"	"14233-37-5"	"1,4-Bis(N-isopropylamino)anthraquinone"	"DSSTox_41250"	""	"Dye"	"anthraquinone"	NA	0	0	1	1
"C142459583"	"142459-58-3"	"Flufenacet"	"DSSTox_32552"	"Unknown"	"Herbicide"	"conazole (imidazoles)"	"conazole"	1	0	0	1
"C142621"	"142-62-1"	"Hexanoic acid"	"DSSTox_21607"	""	"Chemical reactant (dyes)"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C142870"	"142-87-0"	"Sodium decyl sulfate"	"DSSTox_36229"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C143077"	"143-07-7"	"Dodecanoic acid"	"DSSTox_21590"	""	"Industrial reagent; natural product"	"carboxylic acid"	"carboxylic acid"	0	0	1	1
"C143088"	"143-08-8"	"1-Nonanol"	"DSSTox_22008"	""	"fragrance; flavoring agent; chemical intermediate"	"alcohol pri"	"alcohol"	0	0	1	1
"C143226"	"143-22-6"	"2-[2-(2-Butoxyethoxy)ethoxy]ethanol"	"DSSTox_21520"	""	"plasticizer; chemical intermediate; solvent"	"alcohol pri alkoxy"	"alcohol alkoxy"	0	0	1	1
"C143390890"	"143390-89-0"	"Kresoxim-methyl"	"DSSTox_32558"	"Unknown"	"Fungicide"	"phenyl-phenyl [CO] strobin"	NA	0	0	1	1
"C1434544"	"1434-54-4"	"Pregnenolone carbonitrile"	"DSSTox_37262"	"NR3C1"	"Pharmaceutical"	"steroid P"	"steroid"	0	0	1	1
"C143500"	"143-50-0"	"Kepone"	"DSSTox_20770"	"Ion channel"	"Insecticide"	"polychloro-bicycle ketone"	"polychloro-bicycle"	0	1	1	1
"C14351667"	"14351-66-7"	"Sodium abietate"	"DSSTox_42399"	""	"Coating"	"abietate"	NA	0	0	1	1
"C14371109"	"14371-10-9"	"(2E)-3-Phenylprop-2-enal"	"DSSTox_24834"	""	"flavor and fragrance agent"	"phenyl aldehyde"	"aldehyde"	0	0	1	1
"C143748"	"143-74-8"	"Phenol red"	"DSSTox_22408"	""	"Dye"	"phenol-phenol [Cn] sulfate"	"phenol"	0	0	1	1
"C144490"	"144-49-0"	"Fluoroacetic acid"	"DSSTox_41981"	""	"chemical reactant; nataural product"	"carboxylic acid halide"	"carboxylic acid"	0	0	1	1
"C144550367"	"144550-36-7"	"Iodosulfuron-methyl-sodium"	"DSSTox_34673"	"ALS"	"Herbicide"	"metsulfuron-like"	NA	1	0	0	1
"C1445756"	"1445-75-6"	"Diisopropyl methylphosphonate"	"DSSTox_24051"	""	"Nerve gas by-product"	"phosphate alkyl"	NA	0	1	0	1
"C144627"	"144-62-7"	"Oxalic acid"	"DSSTox_25816"	""	"Dye mordant; clean and bleaching processes"	"carboxylic acid di"	"carboxylic acid"	0	0	1	1
"C145701219"	"145701-21-9"	"Diclosulam"	"DSSTox_34528"	"ALS"	"Herbicide"	"sulfonanilide triazolopyrimidine"	NA	1	0	0	1
"C145733"	"145-73-3"	"Endothal"	"DSSTox_24081"	"PP1 PP2A"	"Herbicide"	"carboxylic acid di ether cyclo"	NA	0	1	0	1
"C145742285"	"145742-28-5"	"CP-122721"	"DSSTox_47251"	"TACR1"	"Pharmaceutical"	"Pharma Class 3.292"	NA	0	1	0	1
"C1459934"	"1459-93-4"	"Dimethyl isophthalate"	"DSSTox_27402"	""	"plasticizer"	"phthalate iso"	"phthalate"	0	0	1	1
"C1461229"	"1461-22-9"	"Tributyltin chloride"	"DSSTox_27403"	""	"Microbicide"	"organometallic"	"organometallic"	0	1	0	1
"C1461252"	"1461-25-2"	"Tetrabutyltin"	"DSSTox_22153"	""	"Microbicide"	"organometallic"	"organometallic"	0	0	1	1
"C147240"	"147-24-0"	"Diphenhydramine hydrochloride"	"DSSTox_20537"	"HRH1"	"Pharmaceutical"	"phenyl-phenyl [C] ether amine"	NA	0	1	0	1
"C14765301"	"14765-30-1"	"2-sec-Butylcyclohexanone"	"DSSTox_41818"	""	"flavor and fragrance agent"	"ketone cycloalkyl"	"ketone"	0	0	1	1
"C1477550"	"1477-55-0"	"1,3-Benzenedimethanamine"	"DSSTox_29649"	""	"plastics manufacturing"	"phenyl amine"	NA	0	0	1	1
"C147819"	"147-81-9"	"Arabinose"	"DSSTox_41610"	""	"Natural product"	"sugar alcohol"	NA	0	0	1	1
"C1478611"	"1478-61-1"	"Bisphenol AF"	"DSSTox_37717"	""	"Plastics"	"phenol-phenol [C] halide"	"phenol halide"	0	1	1	1
"C14816183"	"14816-18-3"	"Phoxim"	"DSSTox_34324"	"ACHE"	"Insecticide"	"phenyl thiophosphate nitrile"	NA	0	0	1	1
"C148243"	"148-24-3"	"8-Hydroxyquinoline"	"DSSTox_20730"	""	"Chemical reagent; fungicide;"	"quinoline alcohol"	NA	0	1	0	1
"C148477718"	"148477-71-8"	"Spirodiclofen"	"DSSTox_34928"	"ACACA"	"Insecticide"	"phenyl tetronic acid"	NA	1	0	0	1
"C148798"	"148-79-8"	"Thiabendazole"	"DSSTox_21337"	"Unknown"	"Fungicide"	"benzimidazole thiazole"	NA	1	0	0	1
"C1490046"	"1490-04-6"	"Menthol"	"DSSTox_29650"	""	"flavoring/fragrance agent; pesticide"	"alcohol sec alkane cyclo"	"alcohol"	0	0	1	1
"C14901076"	"14901-07-6"	"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one"	"DSSTox_25451"	""	"flavor and fragrance agent"	"ketone ene"	"ketone"	0	0	1	1
"C149062759"	"149062-75-9"	"PharmaGSID_47259"	"DSSTox_47259"	"ACHE"	"Pharmaceutical"	"phenyl halide amine"	"phenyl halide"	0	1	0	1
"C149304"	"149-30-4"	"2-Mercaptobenzothiazole"	"DSSTox_20807"	""	"Rubber additive"	"thiobenzimidazole"	NA	0	1	0	1
"C149575"	"149-57-5"	"2-Ethylhexanoic acid"	"DSSTox_25293"	""	"Chemical intermediate"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C149877418"	"149877-41-8"	"Bifenazate"	"DSSTox_32525"	"Mitochondria"	"Insecticide"	"phenyl-phenyl alkoxy carbamate"	NA	1	0	0	1
"C149979419"	"149979-41-9"	"Tepraloxydim"	"DSSTox_34252"	"ACACA"	"Herbicide"	"cyclohexene oxime"	NA	1	0	0	1
"C150130"	"150-13-0"	"4-Aminobenzoic acid"	"DSSTox_24466"	"Unknown"	"Natural product _ industrial intermediate"	"aniline carboxylic acid"	NA	0	1	0	1
"C15046750"	"15046-75-0"	"Sodium 2-methylbenzenesulfonate"	"DSSTox_44553"	""	"Surfactant; food use"	"phenyl sulfuric acid"	NA	0	0	1	1
"C150685"	"150-68-5"	"Monuron"	"DSSTox_20311"	"Unknown"	"Herbicide"	"phenyl urea chloro"	"phenyl urea"	0	1	0	1
"C150765"	"150-76-5"	"4-Methoxyphenol"	"DSSTox_20828"	""	"chemical intermediate; plastics production"	"phenol alkoxy"	"phenol alkoxy"	0	0	1	1
"C150787"	"150-78-7"	"Hydroquinone dimethyl ether"	"DSSTox_22014"	""	"Chemical additive; chemical intermediate"	"phenol ethoxylate"	NA	0	0	1	1
"C151053"	"151-05-3"	"Dimethylbenzylcarbinyl acetate"	"DSSTox_41877"	""	"flavor and fragrance agent"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C151213"	"151-21-3"	"Sodium dodecyl sulfate"	"DSSTox_26031"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	1	0	1
"C15214898"	"15214-89-8"	"2-Acrylamido-2-methyl-1-propanesulfonic acid"	"DSSTox_27770"	""	"Chemical reactant (monomer)"	"carbamate sulfuric acid"	NA	0	0	1	1
"C15299997"	"15299-99-7"	"Napropamide"	"DSSTox_24211"	"Unknown"	"Herbicide"	"naphthalene alkoxy amide"	NA	1	0	0	1
"C15307796"	"15307-79-6"	"Diclofenac sodium"	"DSSTox_37208"	"PTGS2"	"Pharmaceutical"	"phenyl-phenyl [N] halide carboxylic acid"	NA	0	1	0	1
"C15310017"	"15310-01-7"	"Benodanil"	"DSSTox_41623"	"Unknown"	"Fungicide"	"phenyl-phenyl [amide]"	NA	0	1	0	1
"C153233911"	"153233-91-1"	"Etoxazole"	"DSSTox_34586"	"Unknown"	"Insecticide"	"phenyl-isoxazole alkoxyl phenyl"	NA	1	0	0	1
"C153719234"	"153719-23-4"	"Thiamethoxam"	"DSSTox_34962"	"CHRNAx [ CHRNA2 CHRNA7 ]"	"Insecticide"	"thiazole nitroguanidine neonicotinoid"	NA	1	0	0	1
"C1541817"	"1541-81-7"	"4-Dodecylmorpholine"	"DSSTox_42171"	""	"Unknown"	"amine cyclo ether"	NA	0	0	1	1
"C154427"	"154-42-7"	"6-Thioguanine"	"DSSTox_23652"	"DNA"	"Pharmaceutical"	"thioguanine"	NA	0	1	0	1
"C15499271"	"15499-27-1"	"4-Butylchlorobenzene"	"DSSTox_48192"	""	"Unknown"	"phenyl halide alkyl"	"phenyl halide"	0	0	1	1
"C155569918"	"155569-91-8"	"Emamectin benzoate"	"DSSTox_34566"	"GABARx [ GABAR1 ]"	"Insecticide"	"mectin"	NA	1	0	0	1
"C1559348"	"1559-34-8"	"3,6,9,12-Tetraoxahexadecan-1-ol"	"DSSTox_27412"	""	"Solvent; food use"	"alcohol pri alkoxy"	"alcohol alkoxy"	0	0	1	1
"C1559359"	"1559-35-9"	"2-(2-Ethylhexyloxy)ethanol"	"DSSTox_41920"	""	"Solvent"	"alcohol pri ether"	"alcohol ether"	0	0	1	1
"C155990208"	"155990-20-8"	"SR271425"	"DSSTox_47347"	"DNA"	"Pharmaceutical"	"Pharma Class 3.184"	NA	0	1	0	1
"C156052685"	"156052-68-5"	"Zoxamide"	"DSSTox_32581"	"Unknown"	"Fungicide"	"phenyl amide halide ketone"	"phenyl halide"	1	0	0	1
"C156105"	"156-10-5"	"4-Nitrosodiphenylamine"	"DSSTox_21031"	""	"Chemical intermediate"	"phenyl-phenyl [N] nitro"	NA	0	0	1	1
"C1563388"	"1563-38-8"	"2,3-Dihydro-2,2-dimethyl-7-benzofuranol"	"DSSTox_27414"	""	"CBI; also breakdown product of carbofuran pesticide"	"phenol alkoxy"	"phenol alkoxy"	0	0	1	1
"C1563662"	"1563-66-2"	"Carbofuran"	"DSSTox_20249"	"ACHE"	"Insecticide"	"phenol ethoxylate carbamate"	NA	0	1	0	1
"C156434"	"156-43-4"	"4-Ethoxyaniline"	"DSSTox_25864"	""	"Chemical intermediate"	"aniline alkoxy"	NA	0	0	1	1
"C156605"	"156-60-5"	"(E)-1,2-Dichloroethylene"	"DSSTox_24031"	""	"Solvent; Chemical intermediate"	"alkene chloride"	NA	0	0	1	1
"C1569013"	"1569-01-3"	"1-Propoxy-2-propanol"	"DSSTox_29217"	""	"Solvent"	"alcohol sec ether"	"alcohol ether"	0	0	1	1
"C1569024"	"1569-02-4"	"1-Ethoxy-2-propanol"	"DSSTox_41267"	""	"Chemical reactant; antifreeze; solvent"	"alcohol sec ether"	"alcohol ether"	0	0	1	1
"C1570645"	"1570-64-5"	"4-Chloro-2-methylphenol"	"DSSTox_22510"	""	"chemical reactant (herbicides)"	"phenol halide"	"phenol halide"	0	0	1	1
"C15708415"	"15708-41-5"	"Ethylenediaminetetraacetic acid ferric sodium salt"	"DSSTox_27774"	""	"water-softening agents, catalyst"	"amine ter carboxylic acid multi"	NA	0	0	1	1
"C158081993"	"158081-99-3"	"CP-105696"	"DSSTox_47308"	"gLTB4"	"Pharmaceutical"	"Pharma Class 4.70"	NA	0	1	0	1
"C1582098"	"1582-09-8"	"Trifluralin"	"DSSTox_21395"	"Microtuble"	"Herbicide"	"aniline alkylate dinitro fluoro"	"aniline alkylate dinitro"	1	0	0	1
"C159138815"	"159138-81-5"	"Cariporide mesylate"	"DSSTox_47344"	"Ion channel Na"	"Pharmaceutical"	"phenyl sulfite amide amine"	NA	0	1	0	1
"C1596845"	"1596-84-5"	"Daminozide"	"DSSTox_20370"	"ACHE"	"Herbicide (Plant growth regulator)"	"carbamate carboxylic acid amine"	NA	1	0	0	1
"C15972608"	"15972-60-8"	"Alachlor"	"DSSTox_22265"	"Elongase"	"Herbicide"	"phenyl acetanilide chloro"	"phenyl acetanilide halide"	1	0	0	1
"C16079882"	"16079-88-2"	"Bromo-3-chloro-5,5-dimethylhydantoin"	"DSSTox_32591"	""	"Germicide; fungicide; disinfectant"	"hydantoin"	NA	0	0	1	1
"C1610180"	"1610-18-0"	"Prometon"	"DSSTox_22341"	"Unknown"	"Herbicide"	"triazine alkoxy amine"	NA	1	0	0	1
"C161050584"	"161050-58-4"	"Methoxyfenozide"	"DSSTox_32628"	"Ecdysone receptor"	"Insecticide"	"phenyl-phenyl [amide] alkoxy"	NA	1	0	0	1
"C161326347"	"161326-34-7"	"Fenamidone"	"DSSTox_34590"	"Mitochondria"	"Fungicide"	"imidazole"	NA	1	0	0	1
"C16219753"	"16219-75-3"	"5-Ethylidene-2-norbornene"	"DSSTox_25306"	""	"Monomer in polymer production"	"alkene cyclo"	"alkene"	0	0	1	1
"C1625918"	"1625-91-8"	"4,4'-Di-tert-butylbiphenyl"	"DSSTox_48193"	""	"chemical intermediate"	"phenyl-phenyl"	"phenyl"	0	0	1	1
"C162706141"	"162706-14-1"	"UK-156819"	"DSSTox_47309"	"TBXAS1"	"Pharmaceutical"	"Pharma Class 4.275"	NA	0	1	0	1
"C1632731"	"1632-73-1"	"Fenchol"	"DSSTox_41970"	""	"cosmetic, flavor and fragrance agent"	"alcohol sec alkane cyclo"	"alcohol"	0	0	1	1
"C1634782"	"1634-78-2"	"Malaoxon"	"DSSTox_20790"	"ACHE"	"Degradate of malathion (CASRN 121-75-5)"	"thiophosphate carboxylate"	NA	1	0	0	1
"C163520330"	"163520-33-0"	"Isoxadifen-ethyl"	"DSSTox_40360"	""	"pesticide"	"phenyl-phenyl [C] amine ether carboxylate"	NA	0	0	1	1
"C1638228"	"1638-22-8"	"4-Butylphenol"	"DSSTox_47425"	""	"unknown"	"phenol alkyl"	"phenol"	0	0	1	1
"C16423680"	"16423-68-0"	"FD&C Red 3"	"DSSTox_21233"	""	"Dye"	"eosin-like"	NA	0	0	1	1
"C1646759"	"1646-75-9"	"Aldicarb oxime"	"DSSTox_24431"	"ACHE"	"Degradate of Aldicarb (CASRN 116-06-3)"	"oxime"	NA	0	1	0	1
"C1646873"	"1646-87-3"	"Aldicarb sulfoxide"	"DSSTox_33161"	"ACHE"	"Degradate of Aldicarb (CASRN 116-06-3)"	"carbamate benzimidazole precursor"	NA	0	0	1	1
"C1646884"	"1646-88-4"	"Aldoxycarb"	"DSSTox_23862"	"ACHE"	"Insecticide"	"carbamate sulfite"	NA	0	0	1	1
"C165252700"	"165252-70-0"	"Dinotefuran"	"DSSTox_34549"	"CHRNAx [ CHRNA2 CHRNA7 ]"	"Insecticide"	"furan nitro amine nitrate"	NA	0	0	1	1
"C16587716"	"16587-71-6"	"4-(tert-Pentyl)-cyclohexanone"	"DSSTox_47127"	""	"Fragrance ingredient"	"ketone cycloalkyl"	"ketone"	0	0	1	1
"C166412788"	"166412-78-8"	"Diisononyl cyclohexane-1,2-dicarboxylate"	"DSSTox_47395"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C16672870"	"16672-87-0"	"Ethephon"	"DSSTox_24085"	"Unknown"	"Herbicide (Plant Growth Regulator)"	"phosphoric acid alkyl halide"	NA	1	0	0	1
"C1671756"	"1671-75-6"	"Heptanophenone"	"DSSTox_48194"	""	"chemical intermediate"	"phenyl ketone"	NA	0	0	1	1
"C16752775"	"16752-77-5"	"Methomyl"	"DSSTox_22267"	"ACHE"	"Insecticide"	"carbamate sulfide"	NA	1	0	0	1
"C1675543"	"1675-54-3"	"Bisphenol A diglycidyl ether"	"DSSTox_24624"	""	"Chemical reactant (epoxy resins)"	"phenyl-phenyl [C] alkoxy epoxide"	NA	0	0	1	1
"C16893859"	"16893-85-9"	"Sodium hexafluorosilicate"	"DSSTox_36933"	""	"Chemical additive; insecticide"	"inorganic"	NA	0	0	1	1
"C1689845"	"1689-84-5"	"Bromoxynil"	"DSSTox_22162"	"Unknown"	"Herbicide"	"phenol halide nitrile"	NA	1	0	0	1
"C169590425"	"169590-42-5"	"Celecoxib"	"DSSTox_22777"	"PTGS2"	"Pharmaceutical"	"Pharam Class 4.320"	NA	0	1	0	1
"C1698608"	"1698-60-8"	"Chloridazon"	"DSSTox_34872"	"Unknown"	"Herbicide"	"phenyl-diazine halide amine one"	NA	1	0	0	1
"C1702176"	"1702-17-6"	"Clopyralid"	"DSSTox_29221"	"Unknown"	"Herbicide"	"pyridine carboxylic acid halide"	NA	1	0	0	1
"C171866312"	"171866-31-2"	"CP-283097"	"DSSTox_47264"	"GRIN2B"	"Pharmaceutical"	"Pharma Class 3.292"	NA	0	1	0	1
"C1724396"	"1724-39-6"	"Cyclododecanol"	"DSSTox_27429"	""	"chemical intermediate"	"alcohol sec alkane cyclo"	"alcohol"	0	0	1	1
"C173584446"	"173584-44-6"	"Indoxacarb"	"DSSTox_32690"	"Ion channel Na"	"Insecticide"	"Pharma Class 4.43"	NA	1	0	0	1
"C17372871"	"17372-87-1"	"Eosin"	"DSSTox_25234"	""	"Dye"	"eosin-like"	NA	0	0	1	1
"C1742149"	"1742-14-9"	"1,1-Bis(3,4-dimethylphenyl)ethane"	"DSSTox_29223"	""	"unknown"	"phenyl-phenyl [C]"	"phenyl"	0	0	1	1
"C17465860"	"17465-86-0"	"gamma-Cyclodextrin"	"DSSTox_47033"	""	"Carrier (food, drugs)"	"sugar alcohol"	NA	0	0	1	1
"C175013180"	"175013-18-0"	"Pyraclostrobin"	"DSSTox_32638"	"Mitochondria"	"Fungicide"	"strobin"	NA	1	0	0	1
"C1760243"	"1760-24-3"	"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"	"DSSTox_27433"	""	"Coupling agent in synthesis"	"silicate amine pri"	"silicate"	0	0	1	1
"C1762954"	"1762-95-4"	"Thiocyanic acid, ammonium salt"	"DSSTox_29653"	""	"Agent in chemical synthesis"	"thiocyanate"	NA	0	0	1	1
"C1763231"	"1763-23-1"	"PFOS"	"DSSTox_31864"	""	"Fluorosurfactant"	"perfluoro sulfuric acid"	NA	1	1	0	1
"C17696627"	"17696-62-7"	"Phenylparaben"	"DSSTox_47882"	""	"Microbicide"	"paraben"	"phenol"	0	0	1	1
"C177785476"	"177785-47-6"	"PharmaGSID_47261"	"DSSTox_47261"	"HIV nucleocapsid protein"	"Pharmaceutical"	"Pharma Class 4.275"	NA	0	1	0	1
"C17796826"	"17796-82-6"	"N-(Cyclohexylthio)phthalimide"	"DSSTox_27793"	""	"chemical additive; zebra fish-icide"	"phthalimide"	NA	0	0	1	1
"C17804352"	"17804-35-2"	"Benomyl"	"DSSTox_23900"	"Tubulin"	"Fungicide"	"benzimidazolyl carbamate"	NA	1	0	0	1
"C17924924"	"17924-92-4"	"Zearalenone"	"DSSTox_21460"	"Micotoxin"	"Mycotoxin"	"carboxylic acid ketone"	NA	0	0	1	1
"C179465715"	"179465-71-5"	"CJ-013790"	"DSSTox_47303"	"ALOX5"	"Pharmaceutical"	"Pharma Class 4.43"	NA	0	1	0	1
"C180084019"	"180084-01-9"	"SB236057A"	"DSSTox_47320"	"HTR1B"	"Pharmaceutical"	"Pharma Class 4.86"	NA	0	1	0	1
"C1806264"	"1806-26-4"	"4-Octylphenol"	"DSSTox_22312"	""	"Plastics"	"phenol alkyl"	"phenol"	0	1	0	1
"C181274157"	"181274-15-7"	"Propoxycarbazone-sodium"	"DSSTox_34864"	""	"Herbicide"	"benzoylpyrazole oxazole"	NA	1	0	0	1
"C181274179"	"181274-17-9"	"Flucarbazone-sodium"	"DSSTox_34614"	"ALS"	"Herbicide"	"metsulfuron-like"	NA	0	0	1	1
"C181640095"	"181640-09-5"	"SR144190"	"DSSTox_47339"	"TACR1"	"Pharmaceutical"	"Pharma Class 4.58"	NA	0	1	0	1
"C18172673"	"18172-67-3"	"(-)-beta-Pinene"	"DSSTox_41184"	""	"flavor and fragrance agent"	"alkene cyclo"	"alkene"	0	0	1	1
"C1825214"	"1825-21-4"	"Pentachloroanisole"	"DSSTox_21103"	""	"metabolite of the wood preservative/slimicide pentachlorophenol"	"phenol ethoxylate halide"	NA	0	0	1	1
"C1836755"	"1836-75-5"	"Nitrofen"	"DSSTox_20970"	"Unknown"	"Herbicide"	"phenyl-phenyl [O] nitrate halide"	NA	0	1	0	1
"C1843056"	"1843-05-6"	"Octabenzone"	"DSSTox_27441"	""	"Sunscreen; UV stabilizer"	"phenol-phenyl [CO] alkoxy"	"phenol"	0	1	0	1
"C184653847"	"184653-84-7"	"Carabersat"	"DSSTox_47319"	"Unknown"	"Pharmaceutical"	"Pharma Class 4.306"	NA	0	1	0	1
"C1861321"	"1861-32-1"	"Chlorthal-dimethyl"	"DSSTox_24000"	""	"Herbicide"	"phthalate tere"	"phthalate"	0	1	0	1
"C1861401"	"1861-40-1"	"Benfluralin"	"DSSTox_23899"	"Unknown"	"Herbicide"	"aniline alkylate dinitro fluoro"	"aniline alkylate dinitro"	1	0	0	1
"C186392654"	"186392-65-4"	"Ingliforib"	"DSSTox_47252"	"PYGM"	"Pharmaceutical"	"Pharma Class 4.334"	NA	0	1	0	1
"C1873887"	"1873-88-7"	"1,1,1,3,5,5,5-Heptamethyltrisiloxane"	"DSSTox_38795"	""	"Surfactant; agricultural use"	"silicate"	"silicate"	0	0	1	1
"C188425856"	"188425-85-6"	"Boscalid"	"DSSTox_34392"	"Unknown"	"Fungicide"	"pyridine phenyl urea halide"	NA	1	0	0	1
"C188489078"	"188489-07-8"	"Flufenpyr-ethyl"	"DSSTox_34618"	"Unknown"	"Herbicide"	"pyridine alkoxy carboxylic acid halide"	NA	1	0	0	1
"C189003927"	"189003-92-7"	"Trelanserin"	"DSSTox_47355"	"GPCRx bioamine Class A human"	"Pharmaceutical"	"Pharma Class 4.334"	NA	0	1	0	1
"C18924668"	"18924-66-8"	"2,2'-(Tetradecylimino)diethanol"	"DSSTox_44865"	""	"Pesticide inert"	"alcohol-2 amine"	"alcohol amine"	0	0	1	1
"C1897456"	"1897-45-6"	"Chlorothalonil"	"DSSTox_20319"	"Unknown"	"Fungicide"	"phenyl halide nitrile"	NA	1	0	0	1
"C18979550"	"18979-55-0"	"4-(Hexyloxy)phenol"	"DSSTox_48195"	""	"Chemical intermediate"	"phenol alkoxy"	"phenol alkoxy"	0	0	1	1
"C19044883"	"19044-88-3"	"Oryzalin"	"DSSTox_24238"	"Microtuble"	"Herbicide"	"aniline alkylate dinitro sulfate"	"aniline alkylate dinitro"	1	1	0	1
"C1907659"	"1907-65-9"	"N-Butyl-p-toluenesulfonamide"	"DSSTox_42198"	""	"Chemical Auxiliary Agent"	"phenyl sulfonamide"	NA	0	0	1	1
"C1912249"	"1912-24-9"	"Atrazine"	"DSSTox_20112"	"Unknown"	"Herbicide"	"triazine chloro"	NA	1	0	1	1
"C1918009"	"1918-00-9"	"Dicamba"	"DSSTox_24018"	"Unknown"	"Herbicide"	"phthalate anhydride"	"phthalate"	1	0	0	1
"C1918021"	"1918-02-1"	"Picloram"	"DSSTox_21160"	""	""	""	""	1	0	0	1
"C1918167"	"1918-16-7"	"Propachlor"	"DSSTox_24274"	"Unknown"	"Herbicide"	"phenyl amide chloro"	"phenyl acetanilide halide"	0	0	1	1
"C1929733"	"1929-73-3"	"2,4-D-Butotyl"	"DSSTox_32309"	""	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C1929777"	"1929-77-7"	"Vernolate"	"DSSTox_24376"	"cyp19a1 (?)"	"Herbicide"	"thiocarbamate"	"carbamate"	0	1	0	1
"C1929824"	"1929-82-4"	"Nitrapyrin"	"DSSTox_24216"	"Unknown"	"Bactericide"	"pyridine halide"	NA	1	0	0	1
"C1934210"	"1934-21-0"	"FD&C Yellow 5"	"DSSTox_21455"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	1	0	1
"C1936158"	"1936-15-8"	"C.I. Acid Orange 10"	"DSSTox_21082"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C194098254"	"194098-25-4"	"CP-409092"	"DSSTox_47276"	"GABARx [ GABAR1 ]"	"Pharmaceutical"	"Pharma Class 3.112"	NA	0	1	0	1
"C1948330"	"1948-33-0"	"tert-Butylhydroquinone"	"DSSTox_20220"	""	"Antioxidant"	"phenol"	"phenol"	0	1	0	1
"C19666309"	"19666-30-9"	"Oxadiazon"	"DSSTox_24239"	"PPO"	"Herbicide"	"oxadiazolone"	NA	1	0	0	1
"C196808454"	"196808-45-4"	"Farglitazar"	"DSSTox_47310"	"PPARG"	"Pharmaceutical"	"Pharma Class 3.172"	NA	0	1	0	1
"C197077557"	"197077-55-7"	"UK-333747"	"DSSTox_47287"	"GRIN2B"	"Pharmaceutical"	"Pharma Classs 4.229"	NA	0	1	0	1
"C19774824"	"19774-82-4"	"Amiodarone hydrochloride"	"DSSTox_37185"	"Ion channel"	"Pharmaceutical"	"phenyl-benzofuran [CO] alkoxy halide amine"	NA	0	1	0	1
"C19780111"	"19780-11-1"	"(2-Dodecenyl)succinic anhydride"	"DSSTox_25217"	""	"Chemical intermediate"	"carboxylate anhydride"	NA	0	0	1	1
"C1987504"	"1987-50-4"	"4-Heptylphenol"	"DSSTox_37714"	""	"Chemical reactant"	"phenol alkyl"	"phenol"	0	1	1	1
"C199119589"	"199119-58-9"	"Trifloxysulfuron-sodium"	"DSSTox_40222"	"ALS"	"Herbicide"	"metsulfuron-like"	NA	1	0	0	1
"C199171885"	"199171-88-5"	"CP-401387"	"DSSTox_47253"	"PDE4"	"Pharmaceutical"	"Pharma Class 4.340"	NA	0	1	0	1
"C199584388"	"199584-38-8"	"1-Methoxy-4-tert-pentylcyclohexane"	"DSSTox_48187"	""	"unknown"	"ether"	NA	0	0	1	1
"C2008415"	"2008-41-5"	"Butylate"	"DSSTox_23936"	"cyp19a1 (?)"	"Herbicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C200940234"	"200940-23-4"	"SB243213A"	"DSSTox_47322"	"HTR2C"	"Pharmaceutical"	"Pharma Class 4.86"	NA	0	1	0	1
"C2016571"	"2016-57-1"	"1-Decanamine"	"DSSTox_22171"	""	"Chemical intermediate; honeybee repellant"	"amine pri"	"amine"	0	0	1	1
"C20265978"	"20265-97-8"	"4-Methoxyaniline hydrochloride"	"DSSTox_20093"	""	"Dye intermediate"	"aniline alkoxy"	NA	0	0	1	1
"C2031676"	"2031-67-6"	"Triethoxymethylsilane"	"DSSTox_42490"	""	"Chemical hardener"	"silicate"	"silicate"	0	0	1	1
"C20325400"	"20325-40-0"	"3,3'-Dimethoxybenzidine dihydrochloride"	"DSSTox_20485"	""	"Industrial intermediate (dyes)"	"bisanliline alkoxy"	NA	0	1	0	1
"C203942498"	"203942-49-8"	"UK-337312"	"DSSTox_47288"	"TACR1"	"Pharmaceutical"	"triflumizole-like"	NA	0	1	0	1
"C2043574"	"2043-57-4"	"1H,1H,2H,2H-Perfluorooctyl iodide"	"DSSTox_47565"	""	"Surfactant"	"perfluoro halide"	NA	0	1	0	1
"C2044646"	"2044-64-6"	"N,N-Dimethylacetoacetamide"	"DSSTox_27454"	""	"Pigment intermediate"	"amide ketone"	NA	0	0	1	1
"C2058460"	"2058-46-0"	"Oxytetracycline hydrochloride"	"DSSTox_21097"	"Bacterial target"	"Pharmaceutical"	"tetracycline-like"	NA	0	1	0	1
"C2058948"	"2058-94-8"	"Perfluoroundecanoic acid"	"DSSTox_47553"	""	"Fluorosurfactant"	"perfluoro carboxylic acid"	NA	0	1	0	1
"C205992"	"205-99-2"	"Benzo(b)fluoranthene"	"DSSTox_23907"	""	"Coal Tar (no commercial use)"	"PAH"	NA	0	1	0	1
"C206440"	"206-44-0"	"Fluoranthene"	"DSSTox_24104"	""	"Coal tar product;  intermediate in dyes and pharmaceuticals"	"PAH"	NA	0	1	0	1
"C207736058"	"207736-05-8"	"CI-1029"	"DSSTox_47262"	"HIV-1 Protease"	"Pharmaceutical"	"Pharma Class 4.345"	NA	0	1	0	1
"C20780487"	"20780-48-7"	"3,7-Dimethyloctan-3-yl acetate"	"DSSTox_41487"	""	"Fragrance agent"	"carboxylate"	"carboxylate"	0	0	1	1
"C2078548"	"2078-54-8"	"Propofol"	"DSSTox_23523"	"GABARx [ GABAR1 ]"	"Unknown; primarily a pharmaceutical"	"phenol alkyl"	"phenol"	0	0	1	1
"C20830755"	"20830-75-5"	"Digoxin"	"DSSTox_22934"	"ATP1A1"	"Pharmaceutical"	"steroid-like"	NA	0	0	1	1
"C208968"	"208-96-8"	"Acenaphthylene"	"DSSTox_23845"	""	"Coal tar product;  iinsecticides and fungicides"	"PAH"	NA	0	1	0	1
"C2104645"	"2104-64-5"	"EPN"	"DSSTox_22174"	"ACHE"	"Insecticide"	"phenyl thiophosphate nitrate phenyl"	NA	0	1	0	1
"C210631688"	"210631-68-8"	"Topramezone"	"DSSTox_34722"	"HPPD"	"Herbicide"	"benzoylpyrazole oxazole"	NA	0	0	1	1
"C210826407"	"210826-40-7"	"CP-456773"	"DSSTox_47301"	"IL1B"	"Pharmaceutical"	"Pharma Class 4.289"	NA	0	1	0	1
"C21087649"	"21087-64-9"	"Metribuzin"	"DSSTox_24204"	"Unknown"	"Herbicide"	"triazinone sulfide"	NA	1	0	0	1
"C210880925"	"210880-92-5"	"Clothianidin"	"DSSTox_34465"	"CHRNAx [ CHRNA2 CHRNA7 ]"	"Insecticide"	"thiazole nitroguanidine neonicotinoid"	NA	1	0	0	1
"C2110181"	"2110-18-1"	"2-(3-Phenylpropyl)pyridine"	"DSSTox_42356"	""	"flavor and fragrance agent"	"pyridine-phenyl [Cn]"	NA	0	0	1	1
"C21145777"	"21145-77-7"	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	"DSSTox_41544"	""	""	""	""	0	0	1	1
"C2122705"	"2122-70-5"	"Ethyl 1-naphthaleneacetate"	"DSSTox_34583"	""	"Plant growth regulator"	"naphthalene carboxylate"	NA	0	0	1	1
"C21245023"	"21245-02-3"	"2-Ethylhexyl 4-(dimethylamino)benzoate"	"DSSTox_29320"	""	"UV screen"	"aniline alkylate carboxylate"	NA	0	0	1	1
"C2144538"	"2144-53-8"	"Tridecafluorohexylethyl methacrylate"	"DSSTox_47558"	""	"Chemical intermediate"	"perfluoro carboxylate"	NA	0	1	0	1
"C214535770"	"214535-77-0"	"CP-457677"	"DSSTox_47278"	"PDE4"	"Pharmaceutical"	"Pharma Class 4.155"	NA	0	1	0	1
"C215297271"	"215297-27-1"	"UK-343664"	"DSSTox_47289"	"PDE5"	"Pharmaceutical"	"Pharma Class 4.86"	NA	0	1	0	1
"C2155706"	"2155-70-6"	"Tributyltin methacrylate"	"DSSTox_35204"	""	"Microbicide"	"organometallic"	"organometallic"	0	1	0	1
"C21564170"	"21564-17-0"	"2-(Thiocyanomethylthio)benzothiazole"	"DSSTox_32647"	""	"Fungicide; biocide"	"benzothiazole nitrile"	NA	1	0	0	1
"C2164172"	"2164-17-2"	"Fluometuron"	"DSSTox_20628"	"Unknown"	"Herbicide"	"phenyl urea fluoro"	"phenyl urea"	1	0	0	1
"C21662099"	"21662-09-9"	"(4Z)-4-Decenal"	"DSSTox_41514"	""	"flavor and fragrance agent"	"aldehyde ene"	"aldehyde"	0	0	1	1
"C21725462"	"21725-46-2"	"Cyanazine"	"DSSTox_23990"	"Unknown"	"Herbicide"	"triazine chloro nitrile"	NA	1	0	0	1
"C2176627"	"2176-62-7"	"Pentachloropyridine"	"DSSTox_22179"	""	"production of pesticides"	"pyridine halide"	NA	0	1	0	1
"C219714962"	"219714-96-2"	"Penoxsulam"	"DSSTox_34803"	"ALS"	"Herbicide"	"Pharma Class 4.62"	NA	1	0	0	1
"C219790724"	"219790-72-4"	"SB281832"	"DSSTox_47324"	"MAPK14"	"Pharmaceutical"	"Pharma Class 4.167"	NA	0	1	0	1
"C22047490"	"22047-49-0"	"2-Ethylhexyl octadecanoate"	"DSSTox_47178"	""	"emollient (cosmetics)"	"carboxylate"	"carboxylate"	0	0	1	1
"C220860504"	"220860-50-4"	"CP-457920"	"DSSTox_47254"	"GABARx [ GABAR1 GABRA5 GABRA6 ]"	"Pharmaceutical"	"Pharma Class 4.155"	NA	0	1	0	1
"C221246124"	"221246-12-4"	"Fandosentan potassium salt"	"DSSTox_47249"	"EDN1"	"Pharmaceutical"	"Pharma Class 4.289"	NA	0	1	0	1
"C2212671"	"2212-67-1"	"Molinate"	"DSSTox_24206"	"cyp19a1 (?)"	"Herbicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C221671621"	"221671-62-1"	"SR146131"	"DSSTox_47369"	"CCKAR"	"Pharmaceutical"	"Pharma Class 2.576"	NA	0	1	0	1
"C22224926"	"22224-92-6"	"Fenamiphos"	"DSSTox_24102"	"ACHE"	"Insecticide"	"phenyl phosphamide sulfide"	NA	1	0	0	1
"C22248799"	"22248-79-9"	"Z-Tetrachlorvinphos"	"DSSTox_32648"	"ACHE"	"Insecticide"	"phenyl phosphate halide"	NA	0	0	1	1
"C22260511"	"22260-51-1"	"Bromocriptine mesylate"	"DSSTox_20197"	""	"Pharmaceutical"	"Pharma Class 4.205"	NA	0	0	1	1
"C2231574"	"2231-57-4"	"Thiocarbazide"	"DSSTox_27461"	""	"Chemical reactant (pesticides); veterinary medicine"	"thiourea"	NA	0	0	1	1
"C2243621"	"2243-62-1"	"1,5-Naphthalenediamine"	"DSSTox_20916"	""	"Chemical reactant"	"naphthalene amine"	NA	0	1	0	1
"C2244215"	"2244-21-5"	"Potassium dichloroisocyanurate"	"DSSTox_26178"	""	"Sanitizer"	"triazinone"	NA	0	0	1	1
"C22781233"	"22781-23-3"	"Bendiocarb"	"DSSTox_32327"	"ACHE"	"Insecticide"	"phenol ethoxylate carbamate"	NA	1	0	0	1
"C22839470"	"22839-47-0"	"Aspartame"	"DSSTox_20107"	"Unknown"	"Sweetening Agents"	"phenyl amide amine carboxylic acid"	NA	0	0	1	1
"C22915737"	"22915-73-7"	"Hexane-1,6-diyl dibenzoate"	"DSSTox_47539"	""	"unknown"	"phenyl carboxylate"	"phenyl carboxylate"	0	1	0	1
"C23031369"	"23031-36-9"	"Prallethrin"	"DSSTox_32572"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C2303175"	"2303-17-5"	"Tri-allate"	"DSSTox_24344"	"cyp19a1 (?)"	"Herbicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C23089261"	"23089-26-1"	"Levomenol"	"DSSTox_42094"	""	"flavor and fragrance agent"	"alcohol ter alkene cyclo"	"alcohol"	0	0	1	1
"C230954093"	"230954-09-3"	"CP-544439"	"DSSTox_47266"	"ADAMx  MMPx [ MMP2 MMP3 MMP13 ]"	"Pharmaceutical"	"Pharma Class 4.43"	NA	0	1	0	1
"C2310170"	"2310-17-0"	"Phosalone"	"DSSTox_24259"	"ACHE"	"Insecticide"	"benzoxazolone thiophosphate halide"	NA	1	0	0	1
"C23103982"	"23103-98-2"	"Pirimicarb"	"DSSTox_32569"	"ACHE"	"Insecticide"	"diazine amine carbamate"	NA	1	0	0	1
"C2312358"	"2312-35-8"	"Propargite"	"DSSTox_24276"	"Mitochondria"	"Insecticide"	"phenyl ether sulfate yne"	NA	1	0	0	1
"C23135220"	"23135-22-0"	"Oxamyl"	"DSSTox_21086"	"ACHE"	"Insecticide"	"carbamate"	"carbamate"	1	0	0	1
"C23184669"	"23184-66-9"	"Butachlor"	"DSSTox_34402"	"Unknown"	"Herbicide"	"phenyl acetanilide chloro"	"phenyl acetanilide halide"	1	0	0	1
"C2321075"	"2321-07-5"	"Fluorescein"	"DSSTox_38887"	""	""	""	""	0	0	1	1
"C23386529"	"23386-52-9"	"Dicyclohexyl sodium sulfosuccinate"	"DSSTox_27826"	""	"surfactant; processing aid"	"sulfuric acid alkyl carboxylate"	"sulfuric acid alkyl"	0	0	1	1
"C23422539"	"23422-53-9"	"Formetanate hydrochloride"	"DSSTox_32405"	"ACHE"	"Insecticide"	"phenyl amine carbamate"	"carbamate"	1	0	0	1
"C2353459"	"2353-45-9"	"FD&C Green No. 3"	"DSSTox_20673"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C23564058"	"23564-05-8"	"Thiophanate-methyl"	"DSSTox_24338"	"Tubulin"	"Fungicide"	"benzimidazole carbamate"	NA	1	0	0	1
"C23564069"	"23564-06-9"	"Thiophanate"	"DSSTox_34531"	"Tubulin"	"Fungicide"	"benzimidazole carbamate"	NA	0	0	1	1
"C23593751"	"23593-75-1"	"Clotrimazole"	"DSSTox_29871"	"Yeast 14 demethylase"	"Fungicide"	"conazole (imidazoles)"	"conazole"	0	1	0	1
"C23779320"	"23779-32-0"	"1-[3-(Triethoxysilyl)propyl]urea"	"DSSTox_44493"	""	"Chemical auxiliary agent"	"sulfuric acid alkyl urea"	"sulfuric acid alkyl"	0	1	0	1
"C2385855"	"2385-85-5"	"Mirex"	"DSSTox_20895"	""	"Insecticide"	"polychloro-bicycle"	"polychloro-bicycle"	0	1	0	1
"C2386870"	"2386-87-0"	"UT-632"	"DSSTox_27466"	""	"Pesticide stabilizer; diluent"	"carboxylate epoxide"	NA	0	0	1	1
"C2390605"	"2390-60-5"	"Basic Blue 7"	"DSSTox_38888"	""	"Dye"	"aniline dye"	"aniline dye"	0	0	1	1
"C2392394"	"2392-39-4"	"Dexamethasone sodium phosphate"	"DSSTox_47429"	"NR3C1"	"Pharmaceutical"	"steroid G"	"steroid"	0	1	1	1
"C23950585"	"23950-58-5"	"Propyzamide"	"DSSTox_20420"	"Unknown"	"Herbicide"	"phenyl amide halide"	"phenyl halide"	1	0	0	1
"C2396681"	"2396-68-1"	"4-tert-Butylbenzenethiol"	"DSSTox_48196"	""	"Pharmaceutical intermediate"	"phenyl alkyl sulfide"	NA	0	0	1	1
"C2409554"	"2409-55-4"	"2-tert-Butyl-4-methylphenol"	"DSSTox_20212"	""	"Chemical reactant"	"phenol alkyl"	"phenol"	0	0	1	1
"C24157811"	"24157-81-1"	"2,6-Diisopropylnaphthalene"	"DSSTox_35272"	""	"Pesticide ingredient; solvent; natural product"	"napthalene"	NA	0	0	1	1
"C24169026"	"24169-02-6"	"Econazole nitrate"	"DSSTox_25226"	"Sterol synthesis"	"Fungicide"	"conazole"	"conazole"	0	0	1	1
"C2416946"	"2416-94-6"	"2,3,6-Trimethylphenol"	"DSSTox_22187"	""	"Chemical reactant; flavoring agent"	"phenol alkyl"	"phenol"	0	1	0	1
"C2425061"	"2425-06-1"	"Captafol"	"DSSTox_20242"	""	""	""	""	1	0	0	1
"C2425776"	"2425-77-6"	"2-Hexyl-1-decanol"	"DSSTox_41265"	""	"Pesticide inert"	"alcohol pri"	"alcohol"	0	0	1	1
"C2426086"	"2426-08-6"	"Butyl glycidyl ether"	"DSSTox_24691"	""	"Pesticide ingredient/plastics"	"ether epoxide"	NA	0	0	1	1
"C24307264"	"24307-26-4"	"Mepiquat chloride"	"DSSTox_24170"	"Unknown"	"Herbicide"	"quaternary ammonium salt"	NA	1	0	0	1
"C2432873"	"2432-87-3"	"Dioctyl succinate"	"DSSTox_47537"	""	"Plasticizer"	"carboxylate di"	"carboxylate"	0	1	0	1
"C2433149"	"2433-14-9"	"4-Cyclohexylcyclohexanol"	"DSSTox_40722"	""	"Chemical reactant"	"alcohol sec alkane cyclo"	"alcohol"	0	1	1	1
"C2440224"	"2440-22-4"	"2-(2H-Benzotriazol-2-yl)-4-methylphenol"	"DSSTox_27479"	""	"Plastics (UV stabilizer)"	"phenol alkyl benzotriazole"	NA	0	0	1	1
"C2445774"	"2445-77-4"	"2-Methylbutyl isovalerate"	"DSSTox_41440"	""	"flavor and fragrance agent"	"carboxylate"	"carboxylate"	0	0	1	1
"C2451629"	"2451-62-9"	"Triglycidyl isocyanurate"	"DSSTox_26262"	""	"Epoxy hardener"	"triazinone epoxide"	NA	0	1	0	1
"C24549062"	"24549-06-2"	"2-Ethyl-6-methylaniline"	"DSSTox_27833"	""	"Chemical intermediate"	"aniline"	"aniline"	0	0	1	1
"C2457014"	"2457-01-4"	"Barium bis(2-ethylhexanoate)"	"DSSTox_44888"	""	"chemical catalyst"	"organometallic"	NA	0	0	1	1
"C24602866"	"24602-86-6"	"Tridemorph"	"DSSTox_41376"	""	"Fungicide"	"morpholine"	NA	0	1	0	1
"C2465272"	"2465-27-2"	"Auramine hydrochloride"	"DSSTox_20114"	""	"dye/disinfectant"	"aniline-aniline [CN] alkylate"	"aniline"	0	0	1	1
"C2467029"	"2467-02-9"	"Bisphenol F"	"DSSTox_22446"	""	""	""	""	0	0	1	1
"C24800440"	"24800-44-0"	"Tripropylene glycol"	"DSSTox_27837"	""	"Chemical intermediate"	"alcohol-2 alkoxy"	"alcohol alkoxy"	0	0	1	1
"C24851987"	"24851-98-7"	"Methyl dihydrojasmonate"	"DSSTox_29325"	""	"flavor and fragrance agent"	"carboxylate ketone"	NA	0	0	1	1
"C2491385"	"2491-38-5"	"2-Bromo-4-hydroxyacetophenone"	"DSSTox_34576"	""	"microbiocide"	"phenol ketone"	NA	0	0	1	1
"C2492264"	"2492-26-4"	"Sodium 2-mercaptobenzothiolate"	"DSSTox_26035"	""	"Chemical reactant/fungicide/disinfectant"	"benzothiazole"	NA	0	0	1	1
"C249296433"	"249296-43-3"	"CJ-013610"	"DSSTox_47272"	"ALOX5"	"Pharmaceutical"	"Pharma Class 4.340"	NA	0	1	0	1
"C25057890"	"25057-89-0"	"Bentazone"	"DSSTox_23901"	"Unknown"	"Herbicide"	"phenyl carbamate sulfide"	"carbamate"	1	0	0	1
"C25155184"	"25155-18-4"	"Methylbenzethonium chloride"	"DSSTox_35708"	""	"Microbiocide"	"phenyl-phenyl [NCO]"	"phenyl"	0	0	1	1
"C25155300"	"25155-30-0"	"Sodium dodecylbenzenesulfonate"	"DSSTox_25219"	""	"Surfactant"	"phenyl sulfuric acid"	NA	0	1	0	1
"C25168052"	"25168-05-2"	"Chlorotoluene"	"DSSTox_27852"	""	"Chemical reactant"	"phenyl halide alkyl"	"phenyl halide"	0	0	1	1
"C25265718"	"25265-71-8"	"Dipropylene glycol"	"DSSTox_27856"	""	"antifreeze/solvent"	"alcohol-2 alkoxy"	"alcohol alkoxy"	0	1	0	1
"C2528167"	"2528-16-7"	"Monobenzyl phthalate"	"DSSTox_43938"	""	"Degradate of benzylbutyl phthalate (CASRN 85ې68ې7)"	"phthalate"	"phthalate"	0	1	0	1
"C25322694"	"25322-69-4"	"Polypropylene glycol"	"DSSTox_27863"	""	"solvent/chemical reactant"	"alcohol-2"	"alcohol"	0	0	1	1
"C253450098"	"253450-09-8"	"Besonprodil"	"DSSTox_47270"	"GRIN2B"	"Pharmaceutical"	"Pharma Class 4.86"	NA	0	1	0	1
"C25360105"	"25360-10-5"	"tert-Nonanethiol"	"DSSTox_27868"	""	"Chemical intermediate"	"sulfide alkyl"	NA	0	0	1	1
"C25496724"	"25496-72-4"	"Glyceryl monooleate"	"DSSTox_27875"	""	"Emulsifiers/Surfactant"	"alcohol-2 carboxylate ene"	"alcohol carboxylate"	0	0	1	1
"C25498491"	"25498-49-1"	"Tripropylene glycol monomethyl ether"	"DSSTox_29329"	""	"Solvent"	"alcohol pri alkoxy"	"alcohol alkoxy"	0	1	0	1
"C2550405"	"2550-40-5"	"Dicyclohexyl disulfide"	"DSSTox_47628"	""	"Flavor ingredient"	"alkane sulfide"	NA	0	1	0	1
"C2554065"	"2554-06-5"	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	"DSSTox_38808"	""	"Chemical intermediate"	"silicate"	"silicate"	0	0	1	1
"C25550985"	"25550-98-5"	"Diisodecylphenyl phosphite"	"DSSTox_27877"	""	"Stabilizer  (polymers)"	"phosphite alkyl"	NA	0	0	1	1
"C25606411"	"25606-41-1"	"Propamocarb hydrochloride"	"DSSTox_34849"	"ACHE"	"Insecticide"	"carbamate"	"carbamate"	1	0	0	1
"C25638179"	"25638-17-9"	"Butylnaphthalenesulfonic acid sodium salt"	"DSSTox_41703"	""	"Pesticide adjuvant/pesticide"	"naphthalene sulfuric acid"	NA	0	0	1	1
"C25812300"	"25812-30-0"	"Gemfibrozil"	"DSSTox_20652"	"PPARA"	"Pharmaceutical"	"phenol ethoxylate carboxylic acid"	NA	0	0	1	1
"C2593159"	"2593-15-9"	"Etridiazole"	"DSSTox_32547"	"Unknown"	"Fungicide"	"thiadiazole ether halide"	NA	1	0	0	1
"C25956176"	"25956-17-6"	"Allura Red C.I.16035"	"DSSTox_24436"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	1	0	1
"C26002802"	"26002-80-2"	"Phenothrin"	"DSSTox_32688"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	0	0	1	1
"C26027383"	"26027-38-3"	"Polyoxyethylene(10)nonylphenyl ether"	"DSSTox_36588"	""	"Preservative"	"phenyl alkoxy"	"phenol alkoxy"	0	0	1	1
"C26040517"	"26040-51-7"	"Bis(2-ethylhexyl) tetrabromophthalate"	"DSSTox_27887"	""	"Flame Retardant"	"phthalate"	"phthalate"	0	0	1	1
"C2610119"	"2610-11-9"	"C.I. Direct Red 81 disodium salt"	"DSSTox_41726"	""	""	""	""	0	0	1	1
"C26172554"	"26172-55-4"	"5-Chloro-2-methyl-3(2H)-isothiazolone"	"DSSTox_34286"	""	"Biocide/Disinfectant"	"thiazole one chloro"	NA	0	1	0	1
"C261947380"	"261947-38-0"	"CP-532623"	"DSSTox_47279"	"CETP"	"Pharmaceutical"	"Pharma Class 4.58"	NA	0	1	0	1
"C26225796"	"26225-79-6"	"Ethofumesate"	"DSSTox_34580"	"Unknown"	"Herbicide"	"phenyl sulfate alkoxy"	NA	1	0	0	1
"C262376750"	"262376-75-0"	"HMR1426"	"DSSTox_47338"	""	""	""	""	0	1	0	1
"C26264062"	"26264-06-2"	"Calcium dodecylbenzene sulfonate"	"DSSTox_27891"	""	"Surfactant"	"phenyl sulfuric acid"	NA	0	0	1	1
"C2627954"	"2627-95-4"	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	"DSSTox_38810"	""	"Chemical additive/chemical intermediate"	"silicate"	"silicate"	0	0	1	1
"C2634335"	"2634-33-5"	"1,2-Benzisothiazolin-3-one"	"DSSTox_32523"	""	"Fungicide"	"benzisothiazole"	NA	0	1	0	1
"C263553339"	"263553-33-9"	"GW473178E methyl benzene sulphonic acid"	"DSSTox_47313"	"F2"	"Pharmaceutical"	"Pharma Class 3.184"	NA	0	1	0	1
"C26402266"	"26402-26-6"	"Glyceryl monooctanoate"	"DSSTox_42006"	""	"pesticide adjuvant/emulsifier"	"alcohol-2 carboxylate"	"alcohol"	0	0	1	1
"C26447109"	"26447-10-9"	"Ammonium xylene sulfonate"	"DSSTox_27899"	""	"cleaning/chemical catalyst"	"phenyl sulfuric acid"	NA	0	0	1	1
"C264618442"	"264618-44-2"	"SSR146977"	"DSSTox_47341"	"TACR3"	"Pharmaceutical"	"Pharma Class 3.485"	NA	0	1	0	1
"C26530201"	"26530-20-1"	"Octhilinone"	"DSSTox_25805"	""	"Fungicide"	"thiazole ketone"	NA	0	1	0	1
"C26628228"	"26628-22-8"	"Sodium azide"	"DSSTox_20121"	""	"propellant (airbags)/chemical intermediate"	"inorganic"	NA	0	1	0	1
"C26644462"	"26644-46-2"	"Triforine"	"DSSTox_32654"	"Sterol synthesis"	"Fungicide"	"amide amine halide"	"amide halide"	0	0	1	1
"C2675776"	"2675-77-6"	"Chloroneb"	"DSSTox_24793"	"Unknown"	"Fungicide"	"phenol ethoxylate halide"	NA	1	0	0	1
"C2687254"	"2687-25-4"	"2,3-Diaminotoluene"	"DSSTox_27494"	""	"Chemical intermediate"	"aniline"	"aniline"	0	1	0	1
"C2687947"	"2687-94-7"	"N-Octyl-2-pyrrolidone"	"DSSTox_36435"	""	"inert (pesticides)"	"amide"	"amide"	0	0	1	1
"C2687969"	"2687-96-9"	"1-Dodecyl-2-pyrrolidinone"	"DSSTox_42206"	""	"surfactant"	"amide"	"amide"	0	1	0	1
"C26896208"	"26896-20-8"	"Neodecanoic acid"	"DSSTox_27916"	""	"Chemical intermediate"	"carboxylic acid"	"carboxylic acid"	0	0	1	1
"C2694544"	"2694-54-4"	"Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate"	"DSSTox_44901"	""	"Fungicide"	"phthalate tri"	"phthalate"	0	0	1	1
"C2696846"	"2696-84-6"	"4-Propylaniline"	"DSSTox_48180"	""	"Unknown"	"aniline"	"aniline"	0	0	1	1
"C2702729"	"2702-72-9"	"2,4-D sodium salt"	"DSSTox_27496"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C27090637"	"27090-63-7"	"N,N,N',N'-Tetrabutyl-1,6-hexanediamine"	"DSSTox_27920"	""	"Chemical intermediate"	"amine ter"	"amine"	0	0	1	1
"C27138314"	"27138-31-4"	"Di(propylene glycol) dibenzoate"	"DSSTox_27921"	""	"Plasticizer"	"phenyl carboxylate alkoxy"	"phenyl carboxylate"	0	1	0	1
"C27176870"	"27176-87-0"	"Dodecylbenzenesulfonic acid"	"DSSTox_27923"	""	"Surfactant"	"phenyl sulfuric acid"	NA	0	1	0	1
"C27178161"	"27178-16-1"	"Diisodecyl hexanedioate"	"DSSTox_27924"	""	"Plasticizer/diluent"	"carboxylate di"	"carboxylate"	0	1	0	1
"C271896"	"271-89-6"	"2,3-Benzofuran"	"DSSTox_20141"	""	"chemical reactant"	"benzothiophene"	NA	0	1	0	1
"C27193868"	"27193-86-8"	"Dodecylphenol"	"DSSTox_27926"	""	"chemical reactant/solvent"	"phenol alkyl"	"phenol"	0	0	1	1
"C27253334"	"27253-33-4"	"Calcium neodecanoate"	"DSSTox_44902"	""	"pesticide additive"	"carboxylic acid"	"carboxylic acid"	0	0	1	1
"C27306781"	"27306-78-1"	"Silwet L77"	"DSSTox_40611"	""	"Pesticide adjuvant/surfactant"	"silicate"	"silicate"	0	0	1	1
"C27314132"	"27314-13-2"	"Norflurazon"	"DSSTox_24234"	"Unknown"	"Herbicide"	"phenyl-diazine halide amine one"	NA	1	0	0	1
"C27323417"	"27323-41-7"	"Dodecylbenzene sulfonate triethanolamine (1:1)"	"DSSTox_27932"	""	"Surfactant"	"phenyl sulfuric acid"	NA	0	1	0	1
"C27344418"	"27344-41-8"	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	"DSSTox_36467"	""	"UV brightener (detergents)"	"phenyl sulfuric acid"	NA	0	0	1	1
"C2756561"	"2756-56-1"	"Isobornyl propanoate"	"DSSTox_42062"	""	"flavor and fragrance agent"	"isobornyl"	NA	0	0	1	1
"C2761242"	"2761-24-2"	"Triethoxypentylsilane"	"DSSTox_42491"	""	"chemical reactant"	"silicate"	"silicate"	0	0	1	1
"C2772454"	"2772-45-4"	"2,4-Bis(1-methyl-1-phenylethyl)phenol"	"DSSTox_29241"	""	"Chemical intermediate"	"phenol-phenyl [C] phenyl"	"phenol"	0	1	0	1
"C2782572"	"2782-57-2"	"Troclosene"	"DSSTox_24993"	"Unknown"	"Disenfectant"	"triazinone"	NA	0	0	1	1
"C2783940"	"2783-94-0"	"FD&C Yellow 6"	"DSSTox_21456"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	1	0	1
"C2795393"	"2795-39-3"	"PFOS-K"	"DSSTox_37706"	""	"Fluorosurfactant"	"perfluoro sulfuric acid"	NA	0	1	0	1
"C27955948"	"27955-94-8"	"4,4',4-Ethane-1,1,1-triyltriphenol"	"DSSTox_37712"	""	"Plastics"	"triphenol [C]"	NA	0	1	0	1
"C2807309"	"2807-30-9"	"2-Propoxyethanol"	"DSSTox_27500"	""	"Solvent"	"alcohol pri ether"	"alcohol ether"	0	0	1	1
"C28159980"	"28159-98-0"	"Cybutryne"	"DSSTox_32416"	""	"Algaecide/anti-fouling agent"	"triazine amine sulfide"	NA	0	0	1	1
"C28249776"	"28249-77-6"	"Thiobencarb"	"DSSTox_24337"	"cyp19a1 (?)"	"Herbicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C283594901"	"283594-90-1"	"Spiromesifen"	"DSSTox_34929"	"ACACA"	"Insecticide"	"phenyl tetronic acid"	NA	0	0	1	1
"C2835952"	"2835-95-2"	"5-Amino-2-methylphenol"	"DSSTox_24489"	""	"coupler for dyes"	"phenol amine"	"phenol amine"	0	1	0	1
"C28434006"	"28434-00-6"	"S-Bioallethrin"	"DSSTox_39336"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C28631665"	"28631-66-5"	"C.I. Acid Blue 22"	"DSSTox_44904"	""	"Dye"	"aniline dye"	"aniline dye"	0	0	1	1
"C2870328"	"2870-32-8"	"C.I. Direct Yellow 12"	"DSSTox_41728"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C28804888"	"28804-88-8"	"Dimethylnaphthalene"	"DSSTox_25130"	""	"inert in pesticides/previous pesticide"	"napthalene"	NA	0	0	1	1
"C288104790"	"288104-79-0"	"Surinabant"	"DSSTox_47357"	"CNR1"	"Pharmaceutical"	"phenyl halide pyrazole carboxamide"	NA	0	1	0	1
"C288324"	"288-32-4"	"Imidazole"	"DSSTox_29616"	""	"Chemical intermediate"	"imidazole"	NA	0	0	1	1
"C288880"	"288-88-0"	"1H-1,2,4-Triazole"	"DSSTox_27131"	""	"chemical reactant"	"triazole"	NA	0	1	0	1
"C2893789"	"2893-78-9"	"Sodium dichloroisocyanurate"	"DSSTox_24994"	""	"Biocide"	"triazinone"	NA	0	0	1	1
"C289716945"	"289716-94-5"	"CP-607366"	"DSSTox_47280"	"SLC6A4"	"Pharmaceutical"	"phenyl-phenyl [O] halide amine"	NA	0	1	0	1
"C290352282"	"290352-28-2"	"CP-634384"	"DSSTox_47306"	"THRA"	"Pharmaceutical"	"Pharma Class 4.306"	NA	0	1	0	1
"C29091212"	"29091-21-2"	"Prodiamine"	"DSSTox_34210"	"Unknown"	"Herbicide"	"aniline alkylate dinitro fluoro"	"aniline alkylate dinitro"	1	0	0	1
"C29122687"	"29122-68-7"	"Atenolol"	"DSSTox_22628"	"ADRB1"	"Pharmaceutical"	"Pharma Class 4.306"	NA	0	0	1	1
"C291305061"	"291305-06-1"	"UK-373911"	"DSSTox_47295"	"SLCxAy [ SLC18A2 SLC6A2 SLC6A3 SLC6A4 ]"	"Pharmaceutical"	"phenyl-phenyl [C] halide sulfonamine"	NA	0	1	0	1
"C2917739"	"2917-73-9"	"Dibutyl nonanedioate"	"DSSTox_44815"	""	"Plasticizer"	"carboxylate di"	"carboxylate"	0	0	1	1
"C2919666"	"2919-66-6"	"Melengestrol acetate"	"DSSTox_48184"	"NR3C1"	"Pharmaceutical"	"steroid P"	"steroid"	0	0	1	1
"C2921882"	"2921-88-2"	"Chlorpyrifos"	"DSSTox_20458"	"ACHE"	"Insecticide"	"pyridine thiophosphate halide"	NA	0	1	0	1
"C29232937"	"29232-93-7"	"Pirimiphos-methyl"	"DSSTox_24266"	"ACHE"	"Insecticide"	"pyrimidine thiophosphate"	NA	1	0	0	1
"C2934056"	"2934-05-6"	"2,4-Diisopropylphenol"	"DSSTox_42273"	""	"flocculant (sewage)/inert (food use)"	"phenol alkyl"	"phenol"	0	0	1	1
"C29385431"	"29385-43-1"	"Tolyltriazole"	"DSSTox_26171"	""	"inert in pesticides/chemical additive"	"benzotriazole"	NA	0	0	1	1
"C29387868"	"29387-86-8"	"Propylene glycol monobutyl ether"	"DSSTox_29755"	""	"Chemical intermediate"	"alcohol sec ether"	"alcohol ether"	0	0	1	1
"C29420493"	"29420-49-3"	"PFBS-K"	"DSSTox_37707"	""	"Flame retardant"	"perfluoro sulfuric acid"	NA	0	1	0	1
"C2943751"	"2943-75-1"	"Triethoxyoctylsilane"	"DSSTox_29246"	""	"Silane coupling reagent/additive"	"silicate"	"silicate"	0	1	1	1
"C29590429"	"29590-42-9"	"Isooctyl acrylate"	"DSSTox_27955"	""	"monomer for polymers"	"carboxylate ene"	"carboxylate"	0	1	0	1
"C2971360"	"2971-36-0"	"2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane"	"DSSTox_22325"	""	"Degradate of Methoxychlor (CASRN 72-43-5)"	"phenol-phenol [C] halide"	"phenol halide"	1	0	0	1
"C298000"	"298-00-0"	"Methyl parathion"	"DSSTox_20855"	"ACHE"	"Insecticide"	"phenyl thiophosphate nitrate"	NA	1	0	0	1
"C298022"	"298-02-2"	"Phorate"	"DSSTox_32459"	"ACHE"	"Insecticide"	"thiophosphate alkyl"	NA	0	1	0	1
"C298044"	"298-04-4"	"Disulfoton"	"DSSTox_22018"	"ACHE"	"Insecticide"	"thiophosphate alkyl"	NA	1	0	0	1
"C298077"	"298-07-7"	"Bis(2-ethylhexyl) phosphate"	"DSSTox_27134"	""	"Chemical additive"	"phosphate alkyl"	NA	0	0	1	1
"C298198524"	"298198-52-4"	"SSR180711"	"DSSTox_47359"	"CHRNA7"	"Pharmaceutical"	"Pharma Class 4.43"	NA	0	1	0	1
"C29836268"	"29836-26-8"	"Octyl beta-D-glucopyranoside"	"DSSTox_42234"	""	"Detergent"	"sugar alcohol"	NA	0	0	1	1
"C298464"	"298-46-4"	"Carbamazepine"	"DSSTox_22731"	"Ion channel Na"	"unknown; pharmaceutical primarily"	"phenyl urea"	"phenyl urea"	0	1	0	1
"C2996921"	"2996-92-1"	"Trimethoxyphenylsilane"	"DSSTox_40700"	""	"Chemical reactant (polymers)"	"silicate"	"silicate"	0	0	1	1
"C300765"	"300-76-5"	"Naled"	"DSSTox_24209"	"ACHE"	"Insecticide"	"phosphate alkyl halide"	NA	1	0	0	1
"C3025307"	"3025-30-7"	"Ethyl (2E,4Z)-deca-2,4-dienoate"	"DSSTox_41357"	""	"flavor and fragrance agent"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C3026639"	"3026-63-9"	"Sodium tridecyl sulfate"	"DSSTox_42418"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C302794"	"302-79-4"	"trans-Retinoic acid"	"DSSTox_21239"	"RARA RARB RARG"	"Pharmaceutical"	"carboxylic acid ene"	"carboxylic acid"	0	1	0	1
"C3033770"	"3033-77-0"	"N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride"	"DSSTox_44643"	""	"Surfactant/antimicrobial"	"quaternary ammonium salt"	NA	0	1	0	1
"C30399849"	"30399-84-9"	"Isooctadecanoic acid"	"DSSTox_27963"	""	"Chemical additive (stabilizer)"	"carboxylic acid"	"carboxylic acid"	0	0	1	1
"C30516871"	"30516-87-1"	"3'-Azido-3'-deoxythymidine"	"DSSTox_20127"	"HIV Reverse Transcriptase"	"Pharmaceutical"	"stavudine-like"	NA	0	1	0	1
"C30560191"	"30560-19-1"	"Acephate"	"DSSTox_23846"	"ACHE"	"Insecticide"	"thiophosphamide"	NA	1	0	0	1
"C3056175"	"3056-17-5"	"Stavudine"	"DSSTox_23819"	"HIV Reverse Transcriptase"	"Pharmaceutical"	"stavudine-like"	NA	0	1	0	1
"C307244"	"307-24-4"	"PFHxA"	"DSSTox_31862"	""	"Fluoropolymer Precursor"	"perfluoro carboxylic acid"	NA	0	1	0	1
"C309002"	"309-00-2"	"Aldrin"	"DSSTox_20040"	"Ion channel"	"Insecticide"	"polychloro-bicycle"	"polychloro-bicycle"	0	1	0	1
"C311455"	"311-45-5"	"Paraoxon"	"DSSTox_24046"	"ACHE"	"degradate pf parathion (CASRN 56-38-2)"	"phenyl thiophosphate nitrate"	NA	0	0	1	1
"C31218834"	"31218-83-4"	"Propetamphos"	"DSSTox_32470"	"ACHE"	"Insecticide"	"thiophosphamide carboxylate"	NA	1	0	0	1
"C313994795"	"313994-79-5"	"MK-578"	"DSSTox_47327"	"CCR5"	"Pharmaceutical"	"Pharma Class 4.340"	NA	0	1	0	1
"C314409"	"314-40-9"	"Bromacil"	"DSSTox_22020"	"Unknown"	"Herbicide"	"uracil"	NA	1	0	0	1
"C3147759"	"3147-75-9"	"Octrizole"	"DSSTox_27522"	""	"UV-absorber for polymers"	"phenol alkyl benzotriazole"	NA	0	1	0	1
"C31519229"	"31519-22-9"	"1,4-Dihydroxy-2-naphthoic acid"	"DSSTox_37730"	""	"Chemical intermediate (pigments)"	"naphthalene alcohol carboxylic acid"	NA	0	0	1	1
"C3164850"	"3164-85-0"	"Potassium 2-ethylhexanoate"	"DSSTox_27525"	""	"Chemical intermediate (pharma)"	"carboxylic acid"	"carboxylic acid"	0	0	1	1
"C3194556"	"3194-55-6"	"1,2,5,6,9,10-Hexabromocyclododecane"	"DSSTox_27527"	""	"Flame retardant"	"alkane cyclo halide"	"alkane halide"	0	0	1	1
"C319857"	"319-85-7"	"beta-Hexachlorocyclohexane"	"DSSTox_20685"	"GABAR1"	"Insecticide"	"alkane cyclo chloro"	"alkane cyclo chloro"	0	1	0	1
"C32388559"	"32388-55-9"	"1-Cedr-8-en-9-ylethanone"	"DSSTox_29353"	""	"flavor and fragrance agent"	"ketone ene"	"ketone"	0	0	1	1
"C3268493"	"3268-49-3"	"3-(Methylthio)propanal"	"DSSTox_27528"	""	"Flavoring agent"	"aldehyde sulfide"	NA	0	0	1	1
"C32809168"	"32809-16-8"	"Procymidone"	"DSSTox_33923"	"Unknown"	"Fungicide"	"phenyl dicarboximide chloro"	NA	0	1	1	1
"C328847"	"328-84-7"	"1,2-Dichloro-4-(trifluoromethyl)benzene"	"DSSTox_27142"	""	"Chemical intermediate/solvent"	"phenyl halide fluoro"	"phenyl halide"	0	0	1	1
"C3296900"	"3296-90-0"	"2,2-Bis(bromomethyl)-1,3-propanediol"	"DSSTox_20164"	""	"Flame retardant"	"alcohol-2 halide"	"alcohol halide"	0	1	0	1
"C330198919"	"330198-91-9"	"Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%)"	"DSSTox_47394"	""	"Additive (plastics)/food contact"	"carboxylate multi"	"carboxylate"	0	1	0	1
"C330541"	"330-54-1"	"Diuron"	"DSSTox_20446"	"Unknown"	"Herbicide"	"phenyl urea chloro"	"phenyl urea"	1	0	0	1
"C330552"	"330-55-2"	"Linuron"	"DSSTox_24163"	"Unknown"	"Herbicide"	"phenyl urea chloro"	"phenyl urea"	1	0	1	1
"C33089611"	"33089-61-1"	"Amitraz"	"DSSTox_23871"	"ADRA1A  ADRA2A OAMB"	"Insecticide"	"phenyl-phenyl [NCNCN]"	"phenyl"	1	0	0	1
"C331623064"	"331623-06-4"	"MK-547"	"DSSTox_47331"	"EDN1"	"Pharmaceutical"	"Pharma Class 4.166"	NA	0	1	0	1
"C3319311"	"3319-31-1"	"Tris(2-ethylhexyl) trimellitate"	"DSSTox_26265"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C33228443"	"33228-44-3"	"4-Pentylaniline"	"DSSTox_40707"	""	"Chemical reactant"	"aniline"	"aniline"	0	1	1	1
"C33228454"	"33228-45-4"	"4-Hexylaniline"	"DSSTox_40708"	""	"Unknown"	"aniline"	"aniline"	0	0	1	1
"C333415"	"333-41-5"	"Diazinon"	"DSSTox_20407"	"ACHE"	"Insecticide"	"pyrimidine thiophosphate"	NA	1	0	0	1
"C3337711"	"3337-71-1"	"Asulam"	"DSSTox_23890"	"ALS"	"Herbicide"	"aniline sulfonamide carbamate"	NA	1	0	0	1
"C334485"	"334-48-5"	"Decanoic acid"	"DSSTox_21554"	""	"flavor and fragrance agent/plasticizer"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C335671"	"335-67-1"	"PFOA"	"DSSTox_31865"	""	"Fluorosurfactant"	"perfluoro carboxylic acid"	NA	1	0	0	1
"C335762"	"335-76-2"	"PFDA"	"DSSTox_31860"	""	"Precursor and Degradate"	"perfluoro carboxylic acid"	NA	0	1	0	1
"C33629479"	"33629-47-9"	"Butralin"	"DSSTox_32337"	"Microtuble"	"Herbicide"	"aniline alkylate dinitro"	"aniline alkylate dinitro"	1	0	0	1
"C33703081"	"33703-08-1"	"Hexanedioic acid, diisononyl ester"	"DSSTox_27982"	""	"Plasticizer"	"carboxylate di"	"carboxylate"	0	1	0	1
"C3380345"	"3380-34-5"	"Triclosan"	"DSSTox_32498"	"FabI"	"Fungicide"	"phenol-phenyl  [O] halide"	"phenol halide"	1	1	0	1
"C33820530"	"33820-53-0"	"Isopropalin"	"DSSTox_24157"	""	"Herbicide"	"aniline alkylate dinitro"	"aniline alkylate dinitro"	0	1	0	1
"C3383968"	"3383-96-8"	"Temephos"	"DSSTox_32484"	"ACHE"	"Insecticide"	"phenyl-phenyl [S] thiophosphate"	NA	0	0	1	1
"C3391864"	"3391-86-4"	"1-Octen-3-ol"	"DSSTox_35214"	""	"flavor and fragrance agent/insect bait"	"alcohol sec ene"	"alcohol"	0	0	1	1
"C33956499"	"33956-49-9"	"Codlelure"	"DSSTox_35288"	""	"pheromone (insect attractant)/natural product"	"alcohol pri ene"	"alcohol"	0	0	1	1
"C34014181"	"34014-18-1"	"Tebuthiuron"	"DSSTox_24316"	"Unknown"	"Herbicide"	"thiadiazole urea"	NA	1	0	0	1
"C34256821"	"34256-82-1"	"Acetochlor"	"DSSTox_23848"	"Unknown"	"Herbicide"	"phenyl acetanilide chloro"	"phenyl acetanilide halide"	1	0	0	1
"C34451199"	"34451-19-9"	"Butyl (2S)-2-hydroxypropanoate"	"DSSTox_42335"	""	"flavor and fragrance agent"	"alcohol sec carboxylate"	"alcohol nitrile"	0	0	1	1
"C344930956"	"344930-95-6"	"SSR69071"	"DSSTox_47368"	"ELANE"	"Pharmaceutical"	"Pharma Class 4.86"	NA	0	1	0	1
"C3452979"	"3452-97-9"	"3,5,5-Trimethyl-1-hexanol"	"DSSTox_29661"	""	"Chemical reactant (plasticizers)/flavor and fragrance agent"	"alcohol pri"	"alcohol"	0	0	1	1
"C34590948"	"34590-94-8"	"Propanol, 1(or 2)-(2-methoxymethylethoxy)-"	"DSSTox_27983"	"PDE4"	"Pharmaceutical"	"alcohol sec alkoxy"	"alcohol alkoxy"	0	1	0	1
"C349495427"	"349495-42-7"	"PharmaGSID_47263"	"DSSTox_47263"	"Unknown"	"Pharmaceutical"	"phenol"	NA	0	1	0	1
"C35256850"	"35256-85-0"	"Butam"	"DSSTox_41691"	"Unknown"	"Herbicide"	"phenyl amide"	NA	0	1	0	1
"C353280076"	"353280-07-6"	"CP-612372"	"DSSTox_47281"	"PDE4"	"Pharmaceutical"	"Pharma Class 4.166"	NA	0	1	0	1
"C35367385"	"35367-38-5"	"Diflubenzuron"	"DSSTox_24049"	"Unknown"	"Insecticide"	"phenyl-phenyl [urea] halide"	NA	0	0	1	1
"C35400432"	"35400-43-2"	"Sulprofos"	"DSSTox_32675"	"ACHE"	"Insecticide"	"phenyl thiophosphate sulfide"	NA	0	0	1	1
"C3547339"	"3547-33-9"	"2-Hydroxyethyl octyl sulfide"	"DSSTox_32516"	""	"pesticide"	"alcohol pri sulfide"	NA	0	0	1	1
"C35554440"	"35554-44-0"	"Imazalil"	"DSSTox_24151"	"ALS"	"Fungicide"	"conazole (imidazoles)"	"conazole"	1	0	0	1
"C35575963"	"35575-96-3"	"Azamethiphos"	"DSSTox_34818"	"ACHE"	"Insecticide"	"benzoxazolone thiophosphate halide"	NA	1	0	0	1
"C35691657"	"35691-65-7"	"1,2-Dibromo-2,4-dicyanobutane"	"DSSTox_24944"	""	"Biocide"	"nitrile halide"	NA	0	0	1	1
"C361343193"	"361343-19-3"	"Elzasonan"	"DSSTox_47277"	"HTR1B"	"Pharmaceutical"	"phenyl dicarboximide chloro"	NA	0	1	0	1
"C361377299"	"361377-29-9"	"Fluoxastrobin"	"DSSTox_34625"	"Mitochondria"	"Fungicide"	"strobin"	NA	1	0	0	1
"C3622842"	"3622-84-2"	"N-Butylbenzenesulfonamide"	"DSSTox_27540"	""	"Plasticizer"	"phenyl sulfonamide"	NA	0	0	1	1
"C3653483"	"3653-48-3"	"MCPA-sodium"	"DSSTox_34700"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C36631308"	"36631-30-8"	"Triisodecyl trimellitate"	"DSSTox_47180"	""	"Plasticizer"	"phthalate carboxylate"	"phthalate"	0	0	1	1
"C36653824"	"36653-82-4"	"1-Hexadecanol"	"DSSTox_27991"	""	"emollient (cosmetics)/coupling agent"	"alcohol pri"	"alcohol"	0	1	0	1
"C36734197"	"36734-19-7"	"Iprodione"	"DSSTox_24154"	"Unknown"	"Fungicide"	"phenyl carbamate chloro"	"carbamate"	1	0	0	1
"C3681718"	"3681-71-8"	"(3Z)-3-Hexenyl acetate"	"DSSTox_41484"	""	"flavor and fragrance agent"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C368832422"	"368832-42-2"	"CP-728663"	"DSSTox_47283"	"TACR1"	"Pharmaceutical"	"Pharma Class 4.58"	NA	0	1	0	1
"C3691358"	"3691-35-8"	"Chlorophacinone"	"DSSTox_32348"	"VKORC1 (?)"	"Rodenticide"	"phenyl-phenyl [C] ketone halide"	NA	0	0	1	1
"C3734336"	"3734-33-6"	"Denatonium benzoate"	"DSSTox_34376"	""	"Flavor agent/alcohol denaturant"	"quaternary ammonium salt"	NA	0	0	1	1
"C3734676"	"3734-67-6"	"C.I. Acid Red 1"	"DSSTox_44663"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C3739386"	"3739-38-6"	"3-Phenoxybenzoic acid"	"DSSTox_38321"	""	"Pesticide breakdown product (Permethrin)"	"phenyl-phenyl [O] carboxylic acid"	NA	0	1	0	1
"C375859"	"375-85-9"	"Perfluoroheptanoic acid"	"DSSTox_37303"	""	"Fluoropolymer Precursor"	"perfluoro carboxylic acid"	NA	0	1	0	1
"C375951"	"375-95-1"	"PFNA"	"DSSTox_31863"	""	"Fluorosurfactant"	"perfluoro carboxylic acid"	NA	0	1	0	1
"C37764253"	"37764-25-3"	"Dichlormid"	"DSSTox_27997"	""	"Herbicide"	"amide halide"	"amide halide"	0	0	1	1
"C3811049"	"3811-04-9"	"Potassium chlorate"	"DSSTox_47448"	""	"Chemical reactant/antiseptic"	"inorganic"	NA	0	0	1	1
"C3811732"	"3811-73-2"	"Sodium (2-pyridylthio)-N-oxide"	"DSSTox_42390"	""	"Biocide"	"pyridine oxide sulfide"	NA	0	1	0	1
"C3825261"	"3825-26-1"	"PFOA, ammonium salt"	"DSSTox_37708"	""	"Processing aid?"	"perfluoro carboxylic acid"	NA	0	1	0	1
"C3844459"	"3844-45-9"	"FD&C Blue No. 1"	"DSSTox_20189"	""	"Dye"	"aniline dye sulfuric acid"	"aniline dye"	0	1	0	1
"C3855321"	"3855-32-1"	"2,6,10-Trimethyl-2,6,10-triazaundecane"	"DSSTox_44564"	""	"Catalyst (polymers)"	"amine sec ter"	"amine"	0	1	0	1
"C3871996"	"3871-99-6"	"PFHS-K"	"DSSTox_37709"	""	"Unknown"	"perfluoro sulfuric acid"	NA	0	1	0	1
"C3913028"	"3913-02-8"	"2-Butyloctan-1-ol"	"DSSTox_44818"	""	"Cleaning/solvent"	"alcohol"	NA	0	0	1	1
"C39236469"	"39236-46-9"	"Imidazolidinyl urea"	"DSSTox_40151"	""	"Preservative"	"hydantoin"	NA	0	0	1	1
"C3926623"	"3926-62-3"	"Sodium chloroacetate"	"DSSTox_27550"	""	"Chemical reactant/defoliant"	"carboxylic acid halide"	"carboxylic acid"	0	0	1	1
"C39300453"	"39300-45-3"	"Dinocap"	"DSSTox_40352"	"Unknown"	"Fungicide"	"phenyl nitro di carboxylate"	"http://www.alanwood.net/pesticides/class_fungicides.html"	0	0	1	1
"C39515418"	"39515-41-8"	"Fenpropathrin"	"DSSTox_24002"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C39905572"	"39905-57-2"	"4-Hexyloxyaniline"	"DSSTox_22288"	""	"Unknown"	"aniline alkoxy"	NA	0	0	1	1
"C402910274"	"402910-27-4"	"UK-416244"	"DSSTox_47290"	"SLCxAy [ SLC18A2 SLC29A1 SLC6A2 SLC6A3 SLC6A4"	"Pharmaceutical"	"phenyl sulfuric acid dye"	NA	0	1	0	1
"C40487421"	"40487-42-1"	"Pendimethalin"	"DSSTox_24245"	"Microtuble"	"Herbicide"	"aniline alkylate dinitro"	"aniline alkylate dinitro"	1	0	0	1
"C40649363"	"40649-36-3"	"4-Propylcyclohexanone"	"DSSTox_48198"	""	"Solvent"	"ketone cycloalkyl"	"ketone"	0	0	1	1
"C4065456"	"4065-45-6"	"Sulisobenzone"	"DSSTox_42436"	""	"UV-absorber/sunscreens"	"phenol-phenyl  [CO] alkoxyl sulfuric acid"	"phenol"	0	0	1	1
"C4098719"	"4098-71-9"	"Isophorone diisocyanate"	"DSSTox_23826"	""	"Chemical reactant"	"isocyanate"	NA	0	1	0	1
"C4107986"	"4107-98-6"	"N,N-Diisopropylaniline"	"DSSTox_42189"	""	"Unknown"	"aniline alkylate"	"aniline alkylate"	0	0	1	1
"C41198087"	"41198-08-7"	"Profenofos"	"DSSTox_32464"	"ACHE"	"Insecticide"	"phenyl thiophosphate halide"	NA	1	0	0	1
"C4130421"	"4130-42-1"	"2,6-Di-tert-butyl-4-ethylphenol"	"DSSTox_29262"	""	"Anti-oxidant/Natural substance"	"phenol alkyl"	"phenol"	0	0	1	1
"C41372081"	"41372-08-1"	"Methyldopa sesquihydrate"	"DSSTox_20863"	"ADRAxA [ ADRA1A ADRA2A ]"	"Pharmaceutical"	"carboxylic acid amine"	NA	0	1	0	1
"C41372207"	"41372-20-7"	"Apomorphine hydrochloride hydrate"	"DSSTox_48185"	"DRD2"	"Pharmaceutical"	"morphine-like"	NA	0	0	1	1
"C41481667"	"41481-66-7"	"4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]"	"DSSTox_47598"	""	"Thermal recording material"	"phenol-phenol [SO2]"	"phenol"	0	1	0	1
"C4151502"	"4151-50-2"	"Sulfluramid"	"DSSTox_32646"	"Unknown"	"Insecticide"	"perfluoro sulfonamide"	NA	0	1	0	1
"C4180238"	"4180-23-8"	"(E)-Anethole"	"DSSTox_20087"	""	"flavor and fragrance agent"	"phenol ethoxylate ene"	NA	0	1	0	1
"C420042"	"420-04-2"	"Cyanamide"	"DSSTox_34490"	""	"Chemical reactant/agricutural growth regulator"	"cyanimide"	NA	1	0	0	1
"C42509808"	"42509-80-8"	"Isazofos"	"DSSTox_34676"	"ACHE"	"Insecticide"	"triazole thiophosphate"	NA	1	0	0	1
"C427510"	"427-51-0"	"Cyproterone acetate"	"DSSTox_20366"	"AR"	"Pharmaceutical"	"steroid T"	"steroid"	0	1	1	1
"C42874033"	"42874-03-3"	"Oxyfluorfen"	"DSSTox_24241"	"PPO"	"Herbicide"	"phenyl-phenyl [O] nitro alkoxy halide"	NA	1	0	0	1
"C4291638"	"4291-63-8"	"Cladribine"	"DSSTox_22828"	"DNA"	"Pharmaceutical"	"stavudine-like"	NA	0	1	0	1
"C43121433"	"43121-43-3"	"Triadimefon"	"DSSTox_23897"	"Unknown"	"Fungicide"	"conazole (triazoles)"	"http://www.alanwood.net/pesticides/class_fungicides.html"	1	0	0	1
"C43222486"	"43222-48-6"	"Difenzoquat metilsulfate"	"DSSTox_24048"	"Unknown"	"Herbicide"	"quaternary ammonium salt"	NA	1	0	0	1
"C4342363"	"4342-36-3"	"Tributyltin benzoate"	"DSSTox_34981"	""	"Microbicide"	"organometallic"	"organometallic"	0	0	1	1
"C4344552"	"4344-55-2"	"4-Butyloxyaniline"	"DSSTox_48199"	""	"Chemical reactant"	"aniline alkoxy"	NA	0	0	1	1
"C4376185"	"4376-18-5"	"Monomethyl phthalate"	"DSSTox_40001"	""	"Degradate of dimethyl phthalate (CASRN 131-11-3)"	"phthalate"	"phthalate"	1	0	0	1
"C4376209"	"4376-20-9"	"Mono(2-ethylhexyl) phthalate"	"DSSTox_25680"	""	"Metabolite of DEHP (CASRN 117-81-7)"	"phthalate"	"phthalate"	1	0	0	1
"C439687691"	"439687-69-1"	"Nelivaptan"	"DSSTox_47358"	"ACPR1B"	"Pharmaceutical"	"Pharma Class 4.44"	NA	0	1	0	1
"C4418262"	"4418-26-2"	"Sodium dehydroacetate"	"DSSTox_26029"	""	"Chemical reactant/Plasticizer/pesticide"	"flavone"	NA	0	1	0	1
"C4437858"	"4437-85-8"	"Butylene carbonate"	"DSSTox_40342"	""	"Solvent"	"carboxylate anhydride"	NA	0	0	1	1
"C444610917"	"444610-91-7"	"PharmaGSID_47315"	"DSSTox_47315"	"PPARx [ PPARA PPARG ]"	"Pharmaceutical"	"Pharma Class 4.166"	NA	0	1	0	1
"C4449518"	"4449-51-8"	"Cyclopamine"	"DSSTox_43709"	"Unknown"	"Pharmaceutical"	"steroid X"	"steroid"	0	1	0	1
"C445295045"	"445295-04-5"	"CP-671305"	"DSSTox_47282"	"PDE4"	"Pharmaceutical"	"Pharma Class 4.166"	NA	0	1	0	1
"C4455269"	"4455-26-9"	"N-Methyldioctylamine"	"DSSTox_42209"	""	"Chemical reactant"	"amine ter"	"amine"	0	1	0	1
"C446720"	"446-72-0"	"Genistein"	"DSSTox_22308"	"ESR1"	"Natural product"	"genistein-like"	NA	0	1	1	1
"C4468422"	"4468-42-2"	"3-Phenylhexane"	"DSSTox_41492"	""	"inert in non-food pesticides"	"phenyl alkyl"	"phenyl"	0	0	1	1
"C446866"	"446-86-6"	"Azathioprine"	"DSSTox_20119"	"DNA"	"Pharmaceutical"	"thioguanine thiazole nitrate"	NA	0	1	0	1
"C451401"	"451-40-1"	"1,2-Diphenylethanone"	"DSSTox_44430"	""	"Chemical intermediate"	"phenyl-phenyl [COC]"	"phenyl"	0	0	1	1
"C4548532"	"4548-53-2"	"FD&C Red 4"	"DSSTox_21234"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C4553622"	"4553-62-2"	"2-Methylpentanedinitrile"	"DSSTox_25612"	""	"Solvent/chemical intermediate"	"nitrile"	NA	0	0	1	1
"C4574043"	"4574-04-3"	"Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride"	"DSSTox_41289"	""	"Emulsifier/catalyst/sanitizer"	"quaternary ammonium salt"	NA	0	0	1	1
"C460004"	"460-00-4"	"1-Bromo-4-fluorobenzene"	"DSSTox_27153"	""	"Chemical intermediate"	"phenyl halide"	"phenyl halide"	0	0	1	1
"C4602840"	"4602-84-0"	"Farnesol"	"DSSTox_32389"	""	"flavor and fragrance agent"	"alcohol pri ene"	"alcohol"	0	0	1	1
"C461023632"	"461023-63-2"	"Aplaviroc hydrochloride"	"DSSTox_47316"	"CCR5"	"Pharmaceutical"	"Pharma Class 4.196"	NA	0	1	0	1
"C461585"	"461-58-5"	"Cyanoguanidine"	"DSSTox_20354"	""	"Curing agent/plasticizer"	"thiourea"	NA	0	0	1	1
"C463401"	"463-40-1"	"Linolenic acid"	"DSSTox_25506"	""	"cosmetic, flavor and fragrance agents/natural product"	"carboxylic acid ene"	"carboxylic acid"	0	0	1	1
"C4638486"	"4638-48-6"	"5-Chlorosalicylanilide"	"DSSTox_37749"	""	"Pesticide ingredient"	"phenol-phenyl  [CON] halide"	"phenol halide"	0	0	1	1
"C464493"	"464-49-3"	"D-Camphor"	"DSSTox_24721"	""	"Chemical reactant/flavoring agent/natural product"	"ketone"	"ketone"	0	0	1	1
"C4707475"	"4707-47-5"	"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	"DSSTox_41653"	""	"Fragrance agent"	"salicylate"	NA	0	0	1	1
"C470826"	"470-82-6"	"1,8-Cineol"	"DSSTox_20616"	"Unknown"	"Natural product"	"ether cyclo"	NA	0	0	1	1
"C4712554"	"4712-55-4"	"Diphenyl phosphite"	"DSSTox_41889"	""	"Stabilizer (PVC)"	"phenyl phosphate"	NA	0	0	1	1
"C473289622"	"473289-62-2"	"Ilepatril"	"DSSTox_47356"	"ACE"	"Pharmaceutical"	"Pharma Class 4.205"	NA	0	1	0	1
"C474862"	"474-86-2"	"Equilin"	"DSSTox_47433"	"ESR1"	"Pharmaceutical"	"steroid E"	"steroid"	0	0	1	1
"C478149530"	"478149-53-0"	"PHA-00543613"	"DSSTox_47284"	"CHRNA7"	"Pharmaceutical"	"Pharma Class 4.86"	NA	0	1	0	1
"C478263988"	"478263-98-8"	"AVE3295"	"DSSTox_47372"	"KCNA5"	"Pharmaceutical"	"Pharma Class 4.320"	NA	0	1	0	1
"C480400"	"480-40-0"	"Chrysin"	"DSSTox_22396"	""	"Flavone"	"phenol benzopyran"	NA	0	0	1	1
"C480637"	"480-63-7"	"2,4,6-Trimethylbenzoic acid"	"DSSTox_48200"	""	"Chemical reactant"	"phenyl carboxylic acid"	"phenyl carboxylic acid"	0	0	1	1
"C484173"	"484-17-3"	"9-Phenanthrol"	"DSSTox_47592"	"TRPM4"	"Pharmaceutical"	"PAH-ol"	"PAH-ol"	0	1	0	1
"C486566"	"486-56-6"	"Cotinine"	"DSSTox_47576"	""	"Metabolite of nicotine"	"Pharma Class 3.112"	NA	0	1	0	1
"C486668"	"486-66-8"	"Daidzein"	"DSSTox_22310"	""	"Flavone"	"genistein-like"	NA	0	1	1	1
"C487069"	"487-06-9"	"5,7-Dimethoxy-2H-chromen-2-one"	"DSSTox_41421"	""	"natural substances and extractives/bio-active"	"coumarin-like"	NA	0	0	1	1
"C489010"	"489-01-0"	"2,6-Di-tert-butyl-4-methoxyphenol"	"DSSTox_41379"	""	"antioxidant"	"phenol alkoxy"	"phenol alkoxy"	0	0	1	1
"C4904614"	"4904-61-4"	"1,5,9-Cyclododecatriene"	"DSSTox_27581"	""	"Chemical intermediate"	"alkene cyclo"	"alkene"	0	1	0	1
"C491805"	"491-80-5"	"Biochanin A"	"DSSTox_22394"	""	"Flavone"	"genistein-like"	NA	0	0	1	1
"C493527"	"493-52-7"	"Methyl red"	"DSSTox_42154"	""	"Dye"	"aniline-phenyl [NN] alkylate carboxylic acid"	"aniline"	0	0	1	1
"C4940118"	"4940-11-8"	"2-Ethyl-3-hydroxy-4H-pyran-4-one"	"DSSTox_41516"	""	"Flavoring agent"	"phenol ketone"	NA	0	0	1	1
"C49562289"	"49562-28-9"	"Fenofibrate"	"DSSTox_29874"	"PPARA"	"Pharmaceutical"	"phenol-phenol [CO] alkoxy halide carboxylate"	"phenol halide"	0	1	0	1
"C496468"	"496-46-8"	"Glycoluril"	"DSSTox_31380"	""	"Slimicide/fertilizer"	"hydantoin"	NA	0	0	1	1
"C496720"	"496-72-0"	"3,4-Diaminotoluene"	"DSSTox_24930"	""	"Chemical intermediate"	"aniline"	"aniline"	0	1	0	1
"C499752"	"499-75-2"	"Isopropyl-o-cresol"	"DSSTox_42074"	""	"Fungicide/natural product"	"phenol alkyl"	"phenol"	0	0	1	1
"C499832"	"499-83-2"	"2,6-Pyridinedicarboxylic acid"	"DSSTox_22043"	""	"inert in non-food pesticides"	"pyridine carboxylic acid"	NA	0	0	1	1
"C500389"	"500-38-9"	"Nordihydroguaiaretic acid"	"DSSTox_22437"	"ALOX5"	"Pharmaceutical"	"phenol-phenol [C4]"	"phenol"	0	0	1	1
"C501027492"	"501027-49-2"	"PD-0333941"	"DSSTox_47307"	"PPARG (?)"	"Pharmaceutical"	"Pharma Class 3.172"	NA	0	1	0	1
"C50146"	"50-14-6"	"Ergocalciferol"	"DSSTox_20233"	"Unknown"	"Vitamin"	"alcohol sec alkene cyclo"	"alcohol"	0	0	1	1
"C50215"	"50-21-5"	"Lactic acid"	"DSSTox_23192"	""	"Natural product"	"alcohol sec carboxylic acid"	"alcohol carboxylic acid"	0	0	1	1
"C50226"	"50-22-6"	"Corticosterone"	"DSSTox_22474"	"NR3C1"	"Pharmaceutical"	"steroid C"	"steroid"	0	1	1	1
"C50271"	"50-27-1"	"Estriol"	"DSSTox_22366"	"ESR1"	"Pharmaceutical"	"steroid E"	"steroid"	0	0	1	1
"C50282"	"50-28-2"	"17beta-Estradiol"	"DSSTox_20573"	"ESR1"	"Pharmaceutical"	"steroid E"	"steroid"	0	1	1	1
"C50293"	"50-29-3"	"p,p'-DDT"	"DSSTox_20375"	"Ion channel Na"	"Insecticide"	"phenyl-phenyl [C] chloro"	"phenyl chloro"	0	1	0	1
"C50351"	"50-35-1"	"Thalidomide"	"DSSTox_22524"	"Unknown"	"Pharmaceutical"	"thalidomide-like"	NA	0	1	0	1
"C50419"	"50-41-9"	"Clomiphene citrate"	"DSSTox_20337"	"ESR1"	"Pharmaceutical"	"tamoxifen-like"	NA	0	1	1	1
"C50471448"	"50471-44-8"	"Vinclozolin"	"DSSTox_22361"	"DNA RNA"	"Fungicide"	"phenyl carbamate chloro"	"carbamate"	1	0	1	1
"C50555"	"50-55-5"	"Reserpine"	"DSSTox_21237"	"Slc18a2 VMAT1 VMAT2"	"Pharmaceutical"	"Pharma Class 4.44"	NA	0	1	0	1
"C50594666"	"50594-66-6"	"Acifluorfen"	"DSSTox_20022"	"PPO"	"Herbicide"	"phenyl-phenyl [O] nitro halide carboxylic acid"	NA	1	0	0	1
"C50657"	"50-65-7"	"Niclosamide"	"DSSTox_40362"	"Unknown"	"Unknown; used against molluscs"	"phenol-phenyl  [CON] nitrate halide"	"phenol halide"	1	0	0	1
"C50704"	"50-70-4"	"D-Glucitol"	"DSSTox_23588"	"Unknown"	"Sweetening Agents"	"sugar alcohol"	NA	0	0	1	1
"C50782"	"50-78-2"	"Aspirin"	"DSSTox_20108"	"PTGS2"	"Pharmaceutical"	"phenyl carboxylic acid alkoxy"	NA	0	1	0	1
"C50817"	"50-81-7"	"L-Ascorbic acid"	"DSSTox_20106"	"Unknown"	"Natural product"	"ascorbate"	NA	0	0	1	1
"C50892234"	"50892-23-4"	"Pirinixic acid"	"DSSTox_20290"	"PPARA"	"Pharmaceutical"	"diazine phenyl sulfide halide carboxylic acid"	NA	0	1	0	1
"C510156"	"510-15-6"	"Chlorobenzilate"	"DSSTox_20299"	""	"Insecticide"	"phenyl-phenyl [C] alcohol carboxylate halide"	NA	0	1	0	1
"C51036"	"51-03-6"	"Piperonyl butoxide"	"DSSTox_21166"	""	"Pesticide synergist"	"phenyl ether alkyl"	NA	1	0	0	1
"C51058"	"51-05-8"	"Procaine hydrochloride"	"DSSTox_44435"	"Ion channel Na"	"Pharmaceutical"	"amine carboxylate"	NA	0	0	1	1
"C5116949"	"5116-94-9"	"Monotridecyl phosphate"	"DSSTox_42169"	""	"Inert in non-food use pesticides"	"phosphoric acid alkyl"	NA	0	0	1	1
"C51218"	"51-21-8"	"5-Fluorouracil"	"DSSTox_20634"	"TYMS"	"Pharmaceutical"	"uracil"	NA	0	1	0	1
"C51218452"	"51218-45-2"	"Metolachlor"	"DSSTox_22448"	"Unknown"	"Herbicide"	"phenyl amide chloro ether"	"phenyl acetanilide halide"	1	0	0	1
"C51229788"	"51229-78-8"	"Chloroallyl methenamine chloride"	"DSSTox_35748"	""	"Antimicrobial"	"quaternary ammonium salt"	NA	0	0	1	1
"C51235042"	"51235-04-2"	"Hexazinone"	"DSSTox_24145"	"Unknown"	"Herbicide"	"triazinone"	NA	1	0	0	1
"C51241"	"51-24-1"	"Tiratricol"	"DSSTox_45232"	"THRA"	"Pharmaceutical"	"phenol-phenyl [O] iodo carboxylic acid"	"phenol"	0	1	1	1
"C512425"	"512-42-5"	"Sodium methyl sulfate"	"DSSTox_42406"	""	"Food Additive"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C512561"	"512-56-1"	"Trimethyl phosphate"	"DSSTox_21403"	""	"gasoline additive/solvent/catalyst"	"phosphate alkyl"	NA	0	0	1	1
"C51285"	"51-28-5"	"2,4-Dinitrophenol"	"DSSTox_20523"	"Unknown"	"unknown; pesticide impurity"	"phenol nitro di"	"phenol nitro"	0	1	0	1
"C51309"	"51-30-9"	"Isoproterenol hydrochloride"	"DSSTox_25486"	"ADRBx [ ADRB2 ADRB1 ]"	"Pharmaceutical"	"phenol alcohol amine"	NA	0	1	0	1
"C51338273"	"51338-27-3"	"Diclofop-methyl"	"DSSTox_32605"	"ACACA"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	1	0	0	1
"C5137553"	"5137-55-3"	"Methyltrioctylammonium chloride"	"DSSTox_44487"	""	"Inert in non-food use pesticides"	"quaternary ammonium salt"	NA	0	0	1	1
"C5138181"	"5138-18-1"	"Sulfosuccinic acid"	"DSSTox_42426"	""	"Inert in non-food use pesticides"	"carboxylic acid di sulfuric acid"	NA	0	0	1	1
"C5146667"	"5146-66-7"	"2,6-Octadienenitrile, 3,7-dimethyl-"	"DSSTox_36286"	""	"Fragrance agent"	"nitrile"	NA	0	0	1	1
"C51525"	"51-52-5"	"6-Propyl-2-thiouracil"	"DSSTox_21209"	"TPO"	"Pharmaceutical"	"uracil"	NA	0	1	0	1
"C5153253"	"5153-25-3"	"2-Ethylhexylparaben"	"DSSTox_22525"	""	"Microbicide"	"paraben"	"phenol"	0	0	1	1
"C51580860"	"51580-86-0"	"Sodium dichloro-s-triazinetrione dihydrate"	"DSSTox_29761"	""	"Disinfectant"	"triazinone"	NA	0	0	1	1
"C51630581"	"51630-58-1"	"Fenvalerate"	"DSSTox_20621"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	0	0	1	1
"C51632167"	"51632-16-7"	"1-(Bromomethyl)-3-phenoxybenzene"	"DSSTox_28022"	""	"Unknown"	"phenyl-phenyl [O] halide"	"phenyl halide"	0	0	1	1
"C51707552"	"51707-55-2"	"Thidiazuron"	"DSSTox_32651"	"Unknown"	"Herbicide"	"benzimidazolyl carbamate"	NA	1	0	0	1
"C51796"	"51-79-6"	"Urethane"	"DSSTox_21427"	""	"Chemical Intermediate/drug/natural product"	"carbamate"	"carbamate"	0	1	0	1
"C52017"	"52-01-7"	"Spironolactone"	"DSSTox_34186"	"NR3C2"	"Pharmaceutical"	"steroid M"	"steroid"	0	1	1	1
"C520183"	"520-18-3"	"Kaempferol"	"DSSTox_20768"	""	"Flavone"	"genistein-like"	NA	0	0	1	1
"C520365"	"520-36-5"	"Apigenin"	"DSSTox_22391"	""	"Flavone"	"genistein-like"	NA	0	0	1	1
"C520456"	"520-45-6"	"Dehydroacetic acid"	"DSSTox_20014"	""	"Plasticizer/bacteriocide/fungicide"	"flavone"	NA	0	0	1	1
"C521186"	"521-18-6"	"5alpha-Dihydrotestosterone"	"DSSTox_22364"	"AR"	"Pharmaceutical"	"steroid A"	"steroid"	0	1	1	1
"C5216251"	"5216-25-1"	"4-Chlorobenzotrichloride"	"DSSTox_27593"	""	"Chemical Intermediate"	"phenyl halide"	"phenyl halide"	0	1	0	1
"C52225204"	"52225-20-4"	"dl-alpha-Tocopheryl acetate"	"DSSTox_21356"	""	"Vitamin"	"Pharma Class 4.70"	NA	0	0	1	1
"C52315078"	"52315-07-8"	"Cypermethrin"	"DSSTox_23998"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C5234684"	"5234-68-4"	"Carboxin"	"DSSTox_23951"	"Mitochondria"	"Fungicide"	"phenyl carbamate thioether"	"carbamate"	1	0	0	1
"C52517"	"52-51-7"	"Bronopol"	"DSSTox_24652"	""	"Microbicide"	"alcohol-2 nitro halide"	NA	0	1	0	1
"C525791"	"525-79-1"	"Kinetin"	"DSSTox_35175"	"Unknown"	"Herbicide"	"thioquanine furan"	NA	0	0	1	1
"C525826"	"525-82-6"	"Flavone"	"DSSTox_22048"	""	"Flavone"	"flavone"	NA	0	0	1	1
"C52645531"	"52645-53-1"	"Permethrin"	"DSSTox_22292"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C526750"	"526-75-0"	"2,3-Dimethylphenol"	"DSSTox_25143"	""	"Solvent/antioxidant"	"phenol alkyl"	"phenol"	0	0	1	1
"C52686"	"52-68-6"	"Trichlorfon"	"DSSTox_21389"	"ACHE"	"Insecticide"	"phosphate alkyl alcohol halide"	NA	1	0	0	1
"C527606"	"527-60-6"	"2,4,6-Trimethylphenol"	"DSSTox_22049"	""	"Chemical reactant"	"phenol alkyl"	"phenol"	0	1	0	1
"C527680564"	"527680-56-4"	"PHA-00568487"	"DSSTox_47285"	"CHRNA7"	"Pharmaceutical"	"Pharma Class 4.58"	NA	0	1	0	1
"C52806538"	"52806-53-8"	"Hydroxyflutamide"	"DSSTox_33562"	"AR"	"Pharmaceutical"	"flutamide-like"	NA	0	1	1	1
"C528290"	"528-29-0"	"1,2-Dinitrobenzene"	"DSSTox_24066"	""	"Chemical reactant (Industrial)"	"phenyl nitro di"	"phenyl nitro"	0	1	0	1
"C52868"	"52-86-8"	"Haloperidol"	"DSSTox_34150"	"DRD2"	"Pharmaceutical"	"phenyl-phenyl [COCnN] halide alcohol"	NA	0	1	0	1
"C52918635"	"52918-63-5"	"Deltamethrin"	"DSSTox_20381"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	0	0	1	1
"C53032"	"53-03-2"	"Prednisone"	"DSSTox_21185"	"NR3C1"	"Pharmaceutical"	"steroid C"	"steroid"	0	1	0	1
"C53112280"	"53112-28-0"	"Pyrimethanil"	"DSSTox_34877"	"Unknown"	"Fungicide"	"phenyl-diazine [N]"	NA	1	0	0	1
"C5315797"	"5315-79-7"	"1-Hydroxypyrene"	"DSSTox_38298"	""	"Metabolite of Pyrene"	"PAH-ol"	"PAH-ol"	0	1	0	1
"C53167"	"53-16-7"	"Estrone"	"DSSTox_22367"	"ESR1"	"Pharmaceutical"	"steroid E"	"steroid"	0	1	1	1
"C53190"	"53-19-0"	"o,p'-DDD"	"DSSTox_20372"	"Ion channel Na"	"Unkown; pesticide degradate and impurity; pharmaceutical"	"phenyl-phenyl [C] chloro"	"phenyl chloro"	0	0	1	1
"C532025"	"532-02-5"	"Sodium 2-naphthalenesulfonate"	"DSSTox_41442"	""	"Inert in non-food use pesticides"	"naphthalene sulfuric acid"	NA	0	0	1	1
"C53219219"	"53219-21-9"	"7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv."	"DSSTox_41557"	""	"Fragrance agent"	"alcohol ter ene"	"alcohol"	0	0	1	1
"C532274"	"532-27-4"	"2-Chloroacetophenone"	"DSSTox_20293"	""	"Irritant e.g. tear gas"	"phenyl ketone halide"	NA	0	1	0	1
"C532321"	"532-32-1"	"Sodium benzoate"	"DSSTox_20140"	""	"Chemical intermediate/Preservative/flavoring agent"	"phenyl carboxylic acid"	"phenyl carboxylic acid"	0	1	0	1
"C5329146"	"5329-14-6"	"Sulfamic acid"	"DSSTox_34005"	""	"Herbicide/chemical reagent"	"sulfamate"	NA	0	0	1	1
"C533233"	"533-23-3"	"2,4-D-ethyl ester"	"DSSTox_41346"	""	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C5333426"	"5333-42-6"	"2-Octyl-1-dodecanol"	"DSSTox_36288"	""	"Fragrance agent"	"alcohol pri"	"alcohol"	0	0	1	1
"C533744"	"533-74-4"	"Dazomet"	"DSSTox_24902"	"Unknown"	"Herbicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C534134"	"534-13-4"	"N,N'-Dimethylthiourea"	"DSSTox_42191"	""	"Unknown"	"thiourea"	NA	0	0	1	1
"C53430"	"53-43-0"	"Dehydroepiandrosterone"	"DSSTox_20379"	"AR"	"Pharmaceutical"	"steroid A"	"steroid"	0	0	1	1
"C534521"	"534-52-1"	"2-Methyl-4,6-dinitrophenol"	"DSSTox_22053"	"Unknown"	"Insecticide"	"phenol nitro di"	"phenol nitro"	0	1	0	1
"C5349519"	"5349-51-9"	"4-(2-Methylbutan-2-yl)cyclohexanol"	"DSSTox_40716"	""	"Fragrance agent"	"alcohol sec alkane cyclo"	"alcohol"	0	1	1	1
"C53703"	"53-70-3"	"Dibenz(a,h)anthracene"	"DSSTox_20409"	""	"Research chemical (no commercial use)"	"PAH"	NA	0	0	1	1
"C53861"	"53-86-1"	"Indomethacin"	"DSSTox_20740"	"PTGS2"	"Pharmaceutical"	"Pharma Class 3.172"	NA	0	1	0	1
"C53894238"	"53894-23-8"	"Triisononyl trimellitate"	"DSSTox_28033"	""	"Plasticizer"	"phthalate carboxylate"	"phthalate"	0	1	0	1
"C5392405"	"5392-40-5"	"3,7-Dimethyl-2,6-octadienal"	"DSSTox_24836"	""	"flavor and fragrance agent"	"aldehyde ene"	"aldehyde"	0	1	0	1
"C53939289"	"53939-28-9"	"(Z)-11-Hexadecenal"	"DSSTox_32303"	""	"Natural substance/pesticide (pheromone)"	"aldehyde ene"	"aldehyde"	0	0	1	1
"C5394365"	"5394-36-5"	"5-Ethyl-5-methylhydantoin"	"DSSTox_41368"	""	"Inert no longer used in pesticides"	"hydantoin"	NA	0	0	1	1
"C540181"	"540-18-1"	"Pentyl butyrate"	"DSSTox_41604"	""	"flavor and fragrance agent/solvent"	"carboxylate"	"carboxylate"	0	0	1	1
"C5407987"	"5407-98-7"	"Cyclobutyl phenyl ketone"	"DSSTox_48201"	""	"Chemical reactant"	"phenyl ketone"	NA	0	0	1	1
"C540885"	"540-88-5"	"tert-Butyl acetate"	"DSSTox_22055"	""	"Solvent"	"carboxylate"	"carboxylate"	0	0	1	1
"C541026"	"541-02-6"	"Decamethylcyclopentasiloxane"	"DSSTox_27184"	""	"Solvent/chemical reactant (polymers)"	"silicate"	"silicate"	0	0	1	1
"C54115"	"54-11-5"	"Nicotine"	"DSSTox_20930"	"CHRNAx [ CHRNA2 CHRNA7 ]"	"Natural product/Pesticide/Pharmaceutical"	"pyridine amine"	NA	0	1	0	1
"C541731"	"541-73-1"	"1,3-Dichlorobenzene"	"DSSTox_22056"	""	"Insecticide/chemical intermediate"	"phenyl halide"	"phenyl halide"	0	1	0	1
"C542927"	"542-92-7"	"1,3-Cyclopentadiene"	"DSSTox_27191"	""	"Chemical reactant (resins)"	"alkene cyclo"	"alkene"	0	0	1	1
"C5437456"	"5437-45-6"	"Benzyl bromoacetate"	"DSSTox_40343"	""	"Preservative/Parmaceutical intermediate"	"phenyl carboxylate halide"	NA	0	0	1	1
"C544638"	"544-63-8"	"Tetradecanoic acid"	"DSSTox_21666"	""	"flavor and fragrance agent/natural proeuct"	"carboxylic acid"	"carboxylic acid"	0	0	1	1
"C544763"	"544-76-3"	"Hexadecane"	"DSSTox_27195"	""	"Solvent/Chemical intermediate"	"alkane"	"alkane"	0	1	0	1
"C54593838"	"54593-83-8"	"Chlorethoxyfos"	"DSSTox_32344"	"ACHE"	"Insecticide"	"thiophosphate alkyl halide"	NA	1	0	0	1
"C54626"	"54-62-6"	"4-Aminofolic acid"	"DSSTox_22588"	""	"Rodenticide"	"folic acid-like"	NA	0	1	0	1
"C54853"	"54-85-3"	"Isoniazid"	"DSSTox_20755"	"Inha"	"Pharmaceutical"	"pyridine amide"	NA	0	1	0	1
"C548629"	"548-62-9"	"Gentian Violet"	"DSSTox_20653"	""	"Fungicide"	"aniline dye"	"aniline dye"	0	1	0	1
"C54965241"	"54965-24-1"	"Tamoxifen citrate"	"DSSTox_21301"	"ESR1"	"Pharmaceutical"	"tamoxifen-like"	NA	0	1	0	1
"C550447"	"550-44-7"	"N-Methylphthalimide"	"DSSTox_27198"	""	"Chemical Intermediate"	"phthalimide"	NA	0	0	1	1
"C55185"	"55-18-5"	"N-Nitrosodiethylamine"	"DSSTox_21028"	""	"Additive (antioxidant and stabilizer)"	"nitrosoamine"	NA	0	1	0	1
"C55219653"	"55219-65-3"	"Triadimenol"	"DSSTox_32493"	"Unknown"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	1	0	1
"C552307"	"552-30-7"	"Trimellitic anhydride"	"DSSTox_26235"	""	"Curing agent (resins)"	"phenyl carboxylic acid di"	"phenyl carboxylic acid"	0	0	1	1
"C55283686"	"55283-68-6"	"Ethalfluralin"	"DSSTox_32386"	"Microtuble"	"Herbicide"	"aniline alkylate dinitro fluoro"	"aniline alkylate dinitro"	1	0	0	1
"C55285148"	"55285-14-8"	"Carbosulfan"	"DSSTox_23950"	"ACHE"	"Insecticide"	"phenol ethoxylate carbamate"	NA	0	1	0	1
"C55290647"	"55290-64-7"	"Dimethipin"	"DSSTox_24052"	"Microtuble"	"Herbicide"	"sulfate alkyl cycle ene"	NA	0	1	0	1
"C553264"	"553-26-4"	"4,4'-Bipyridine"	"DSSTox_27200"	""	"Pesticide degration product (paraquat)?pyrolysis product of tobacco"	"pyridine"	NA	0	1	0	1
"C55335063"	"55335-06-3"	"Triclopyr"	"DSSTox_32497"	"Unknown"	"Herbicide"	"pyridine alkoxy carboxylic acid halide"	NA	1	0	0	1
"C5536618"	"5536-61-8"	"Sodium methacrylate"	"DSSTox_44823"	""	"Chemical Intermediate"	"carboxylic acid ene"	"carboxylic acid"	0	0	1	1
"C553708"	"553-70-8"	"Magnesium dibenzoate"	"DSSTox_44693"	""	"Preservative (cosmetics)/drug no longer used"	"phenyl carboxylic acid"	"phenyl carboxylic acid"	0	0	1	1
"C55389"	"55-38-9"	"Fenthion"	"DSSTox_20620"	"ACHE"	"Insecticide"	"phenyl thiophosphate sulfide"	NA	1	0	0	1
"C55406536"	"55406-53-6"	"3-Iodo-2-propynyl-N-butylcarbamate"	"DSSTox_28038"	""	"Microbicide"	"carbamate"	"carbamate"	1	0	0	1
"C55512339"	"55512-33-9"	"Pyridate"	"DSSTox_32639"	"Unknown"	"Herbicide"	"diazine  carboxylate halide sulfide"	NA	0	0	1	1
"C55589623"	"55589-62-3"	"Acesulfame potassium"	"DSSTox_30606"	""	"Artificial sweetener"	"carbamate sulfide"	NA	0	0	1	1
"C556525"	"556-52-5"	"Glycidol"	"DSSTox_20666"	""	"Stabilizer (polymers)"	"alcohol pri epoxide"	NA	0	1	0	1
"C556616"	"556-61-6"	"Methyl isothiocyanate"	"DSSTox_27204"	""	"Insecticide/Funigant/Chemical warfare agent/Breakdown product of metam K and metam Na"	"thiocyanate"	NA	1	0	0	1
"C556672"	"556-67-2"	"Octamethylcyclotetrasiloxane"	"DSSTox_27205"	""	"Chemical reagent and additive"	"silicate"	"silicate"	0	1	0	1
"C55814410"	"55814-41-0"	"Mepronil"	"DSSTox_37565"	"Unknown"	"Fungicide"	"phenyl-phenyl [amide] alkoxy"	"http://www.alanwood.net/pesticides/class_fungicides.html"	0	0	1	1
"C55934935"	"55934-93-5"	"Tripropylene glycol butyl ether"	"DSSTox_42503"	""	"Solvent"	"alcohol sec alkoxy"	"alcohol alkoxy"	0	0	1	1
"C55981"	"55-98-1"	"Busulfan"	"DSSTox_20910"	"DNA"	"Pharmaceutical"	"sulfate alkyl"	NA	0	1	0	1
"C5598130"	"5598-13-0"	"Chlorpyrifos-methyl"	"DSSTox_32352"	"ACHE"	"Insecticide"	"pyridine thiophosphate halide"	NA	1	0	0	1
"C5598152"	"5598-15-2"	"Chlorpyrifos oxon"	"DSSTox_38666"	"ACHE"	"Insecticide metabolite of chlorpyrifos (CASRN 2921-88-2 )"	"pyridine thiophosphate halide"	NA	1	0	0	1
"C56042"	"56-04-2"	"6-Methyl-2-thiouracil"	"DSSTox_20890"	"TPO"	"Pharmaceutical"	"uracil"	NA	0	1	0	1
"C563122"	"563-12-2"	"Ethion"	"DSSTox_24086"	"ACHE"	"Insecticide"	"thiophosphate alkyl"	NA	0	1	0	1
"C56375792"	"56375-79-2"	"N,N-Dibutyl-N-methylbutan-1-aminium chloride"	"DSSTox_44443"	""	"Antioxidant/Metal extractant/catalyst"	"quaternary ammonium salt"	NA	0	0	1	1
"C56382"	"56-38-2"	"Parathion"	"DSSTox_21100"	"ACHE"	"Insecticide"	"phenyl thiophosphate nitrate"	NA	1	0	0	1
"C56531"	"56-53-1"	"Diethylstilbestrol"	"DSSTox_20465"	"ESR1 ESR2"	"Pharmaceutical"	"phenol-phenol [CC]"	"phenol"	0	1	1	1
"C56553"	"56-55-3"	"Benz(a)anthracene"	"DSSTox_23902"	""	"Research chemical/natural product (coal tar)"	"PAH"	NA	0	1	1	1
"C56724"	"56-72-4"	"Coumaphos"	"DSSTox_20347"	"ACHE"	"Insecticide"	"heterocyclic one thiophosphate"	NA	1	0	0	1
"C56815"	"56-81-5"	"Glycerol"	"DSSTox_20663"	""	"Natural product"	"alcohol-3"	"alcohol"	0	1	0	1
"C56951"	"56-95-1"	"Chlorhexidine diacetate"	"DSSTox_32345"	""	"Biocide"	"phenyl-phenyl [CNn] halide"	"phenyl halide"	0	0	1	1
"C5700492"	"5700-49-2"	"1,2-Ethanediamine dihydriodide"	"DSSTox_44570"	""	"Veterminary feed additive"	"amine pri"	"amine"	0	0	1	1
"C57067"	"57-06-7"	"Allyl isothiocyanate"	"DSSTox_20047"	""	"fungicide/pharmaceutical/chemical reactant"	"thiocyanate"	NA	0	0	1	1
"C57090"	"57-09-0"	"Hexadecyltrimethylammonium bromide"	"DSSTox_37028"	""	"Algaecide/antiseptic/anti-static agent"	"quaternary ammonium salt"	NA	0	0	1	1
"C57103"	"57-10-3"	"Hexadecanoic acid"	"DSSTox_21602"	""	"Natural product/emulsifier"	"carboxylic acid"	"carboxylic acid"	0	0	1	1
"C57114"	"57-11-4"	"Octadecanoic acid"	"DSSTox_21642"	""	"Chemical intermediate/natural product/emulsifier"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C57136"	"57-13-6"	"Urea"	"DSSTox_21426"	""	"Natural product"	"urea"	NA	0	1	0	1
"C57147"	"57-14-7"	"1,1-Dimethylhydrazine"	"DSSTox_20516"	""	"Fuels/chemical reactant/plant growth regulator"	"hydrazine"	NA	0	0	1	1
"C571584"	"571-58-4"	"1,4-Dimethylnaphthalene"	"DSSTox_35423"	""	"Plant growth regulator"	"napthalene"	NA	0	0	1	1
"C57307"	"57-30-7"	"Phenobarbital sodium"	"DSSTox_21123"	""	"Pharmaceutical (API)"	"pyrimidine trione"	NA	0	1	0	1
"C57410"	"57-41-0"	"5,5-Diphenylhydantoin"	"DSSTox_20541"	"Ion channel Na"	"Pharmaceutical"	"hydantoin"	NA	0	1	0	1
"C57501"	"57-50-1"	"Sucrose"	"DSSTox_21288"	"Unknown"	"Sweetening Agents"	"sugar alcohol"	NA	0	1	0	1
"C57556"	"57-55-6"	"1,2-Propylene glycol"	"DSSTox_21206"	""	"Anti-freeze/solvent"	"alcohol-2"	"alcohol"	0	1	0	1
"C576261"	"576-26-1"	"2,6-Dimethylphenol"	"DSSTox_24063"	""	"Chemical intermediate"	"phenol alkyl"	"phenol"	0	1	0	1
"C57636"	"57-63-6"	"17alpha-Ethinylestradiol"	"DSSTox_20576"	"ESR1 AR"	"Pharmaceutical"	"steroid E"	"steroid"	0	1	1	1
"C577117"	"577-11-7"	"Docusate sodium"	"DSSTox_22959"	"Unknown"	"Pharmaceutical"	"sulfuric acid alkyl carboxylate"	"sulfuric acid alkyl"	0	1	0	1
"C57749"	"57-74-9"	"Chlordane"	"DSSTox_20267"	"GABARx [ GABAR1 ]"	"Insecticide"	"polychloro-bicycle"	"polychloro-bicycle"	0	1	0	1
"C57754855"	"57754-85-5"	"Clopyralid-olamine"	"DSSTox_34265"	"Unknown"	"Herbicide"	"pyridine carboxylic acid halide"	NA	1	0	0	1
"C57830"	"57-83-0"	"Progesterone"	"DSSTox_22370"	"PGR"	"Pharmaceutical"	"steroid P"	"steroid"	0	1	1	1
"C57837191"	"57837-19-1"	"Metalaxyl"	"DSSTox_24175"	"RNA"	"Fungicide"	"phenyl acetanilide ether carboxylate"	NA	1	0	0	1
"C57852"	"57-85-2"	"Testosterone propionate"	"DSSTox_36515"	"AR"	"Pharmaceutical"	"steroid A"	"steroid"	0	1	1	1
"C57910"	"57-91-0"	"17alpha-Estradiol"	"DSSTox_22377"	"ESR1 AR"	"Pharmaceutical"	"steroid E"	"steroid"	0	1	1	1
"C579668"	"579-66-8"	"2,6-Diethylaniline"	"DSSTox_27218"	""	"Chemical reagent/metabolite of acetanilide herbicides, including alachlor"	"aniline"	"aniline"	0	1	0	1
"C57966957"	"57966-95-7"	"Cymoxanil"	"DSSTox_32358"	"Unknown"	"Fungicide"	"acetamide carboxylate amine"	NA	1	0	0	1
"C57976"	"57-97-6"	"7,12-Dimethylbenz(a)anthracene"	"DSSTox_20510"	""	"Biochemical research"	"PAH"	NA	0	1	0	1
"C58082"	"58-08-2"	"Caffeine"	"DSSTox_20232"	"ADORA2A"	"Natural product/Pharmaceutica;"	"caffeine-like"	NA	0	1	0	1
"C58140"	"58-14-0"	"Pyrimethamine"	"DSSTox_21217"	"DHFR"	"Pharmaceutical"	"diazine-phenyl amine halide"	NA	0	1	0	1
"C58184"	"58-18-4"	"17-Methyltestosterone"	"DSSTox_33664"	"AR"	"Pharmaceutical"	"steroid A"	"steroid"	0	1	1	1
"C583788"	"583-78-8"	"2,5-Dichlorophenol"	"DSSTox_25003"	""	"Chemical intermediate"	"phenol halide"	"phenol halide"	0	0	1	1
"C58394642"	"58394-64-2"	"Benzyloctyl adipate"	"DSSTox_47528"	""	"plasticizer (proposed)"	"phenyl carboxylate"	"phenyl carboxylate"	0	1	0	1
"C584134"	"584-13-4"	"4-Amino-1,2,4-triazole"	"DSSTox_33058"	""	"Chemical intermediate (fungicides)"	"triazole amine"	NA	0	1	0	1
"C58430947"	"58430-94-7"	"3,5,5-Trimethylhexyl acetate"	"DSSTox_41270"	""	"flavor and fragrance agent"	"carboxylate"	"carboxylate"	0	0	1	1
"C584792"	"584-79-2"	"Allethrin"	"DSSTox_35180"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	1	0	1
"C584849"	"584-84-9"	"Toluene-2,4-diisocyanate"	"DSSTox_26156"	""	"Chemical reactant"	"phenyl isocynate"	NA	0	1	0	1
"C5850862"	"5850-86-2"	"C.I. Acid Orange 8, monosodium salt"	"DSSTox_41709"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C585342"	"585-34-2"	"3-tert-Butylphenol"	"DSSTox_44825"	""	"Pharmaceuticals/chemical reagent"	"phenol alkyl"	"phenol"	0	0	1	1
"C58559"	"58-55-9"	"Theophylline"	"DSSTox_21336"	"ENPPx"	"Pharmaceutical"	"caffeine-like"	NA	0	1	0	1
"C58560"	"58-56-0"	"Pyridoxine hydrochloride"	"DSSTox_40792"	"Unknown"	"Vitamin"	"pyridine alcohol-2"	NA	0	0	1	1
"C586629"	"586-62-9"	"Terpinolene"	"DSSTox_27222"	""	"flavor and fragrance agent"	"alkene cyclo"	"alkene"	0	0	1	1
"C5870939"	"5870-93-9"	"Heptyl butanoate"	"DSSTox_42038"	""	"flavor and fragrance agent"	"carboxylate"	"carboxylate"	0	0	1	1
"C58720"	"58-72-0"	"Triphenylethylene"	"DSSTox_22320"	""	"Chemical reactant"	"triphenyl [C]"	NA	0	0	1	1
"C587655"	"587-65-5"	"2-Chloro-N-phenylacetamide"	"DSSTox_41409"	""	"EPA inert (pesticides)"	"phenyl amide chloro"	"phenyl acetanilide halide"	0	0	1	1
"C587859"	"587-85-9"	"Diphenylmercury(II)"	"DSSTox_42130"	""	"few uses/ catalyst (pharm)"	"organometallic"	"organometallic"	0	0	1	1
"C58846778"	"58846-77-8"	"Decyl beta-D-glucopyranoside"	"DSSTox_41208"	""	"Natural product"	"sugar alcohol"	NA	0	0	1	1
"C58855"	"58-85-5"	"Biotin"	"DSSTox_22679"	"Unknown"	"Natural product"	"imidazole carboxylic acid"	NA	0	0	1	1
"C58866"	"58-86-6"	"D-Xylose"	"DSSTox_23745"	""	"Natural product/Sweetener"	"sugar alcohol"	NA	0	0	1	1
"C58899"	"58-89-9"	"Lindane"	"DSSTox_20686"	"Ion channel"	"Insecticide"	"alkane cyclo chloro"	"alkane cyclo chloro"	1	0	0	1
"C58935"	"58-93-5"	"Hydrochlorothiazide"	"DSSTox_20713"	"SLCxAy [ SLC18A2 SLC29A1 SLC6A2 SLC6A3 SLC6A4"	"Pharmaceutical"	"chlorothiazide"	NA	0	1	0	1
"C589684"	"589-68-4"	"Tetradecanoic acid, 2,3-dihydroxypropyl ester"	"DSSTox_42454"	""	"Cosmetic agent (emulsifier)"	"alcohol-2 carboxylate"	"alcohol"	0	0	1	1
"C5902512"	"5902-51-2"	"Terbacil"	"DSSTox_24317"	"Unknown"	"Herbicide"	"uracil"	NA	1	0	0	1
"C59052"	"59-05-2"	"Methotrexate"	"DSSTox_20822"	"DNA"	"Pharmaceutical"	"folic acid-like"	NA	0	1	0	1
"C5915413"	"5915-41-3"	"Terbuthylazine"	"DSSTox_27608"	"Unknown"	"Herbicide"	"triazine chloro"	NA	0	1	0	1
"C59227893"	"59227-89-3"	"Laurocapram"	"DSSTox_42086"	""	"Excipient (cosmetics)"	"amide"	"amide"	0	0	1	1
"C59303"	"59-30-3"	"Folic acid"	"DSSTox_22519"	"Unknown"	"Vitamin"	"folic acid-like"	NA	0	1	0	1
"C59405"	"59-40-5"	"Sulfaquinoxaline"	"DSSTox_42424"	"ALS"	"Anti-microbial"	"aniline sulfate"	NA	0	0	1	1
"C594207"	"594-20-7"	"2,2-Dichloropropane"	"DSSTox_30060"	""	"Chemical reagent"	"alkane halide"	"alkane halide"	0	0	1	1
"C59507"	"59-50-7"	"4-Chloro-3-methylphenol"	"DSSTox_21717"	""	"Biocide/Fungicide/Disinfectant"	"phenol halide"	"phenol halide"	0	1	0	1
"C59669260"	"59669-26-0"	"Thiodicarb"	"DSSTox_32578"	"ACHE"	"Insecticide"	"carbamate sulfide"	NA	1	0	0	1
"C59676"	"59-67-6"	"Nicotinic acid"	"DSSTox_20932"	"Unknown"	"Vitamin"	"pyridine carboxylic acid"	NA	0	1	1	1
"C59756604"	"59756-60-4"	"Fluridone"	"DSSTox_24107"	"Unknown"	"Herbicide"	"Pharma Class 3.110"	NA	0	1	0	1
"C598550"	"598-55-0"	"Methyl carbamate"	"DSSTox_20834"	""	"Chemical reactant"	"carbamate"	"carbamate"	0	0	1	1
"C59870"	"59-87-0"	"Nitrofurazone"	"DSSTox_20944"	"Unknown"	"Bactericide"	"furan nitro amine nitrate"	NA	0	1	0	1
"C599644"	"599-64-4"	"4-Cumylphenol"	"DSSTox_22536"	""	"Industrial intermediate"	"phenol-phenyl [C]"	"phenol"	0	1	1	1
"C599791"	"599-79-1"	"Sulfasalazine"	"DSSTox_21256"	"Bacterial target"	"Pharmaceutical"	"phenol benzoic acid sulfate"	NA	0	1	0	1
"C60093"	"60-09-3"	"4-Aminoazobenzene"	"DSSTox_24460"	""	"Dye/chemical reagent (dyes)/Insecticice"	"aniline-phenyl [NN]"	"aniline"	0	1	0	1
"C60128"	"60-12-8"	"2-Phenylethanol"	"DSSTox_26342"	""	"flavor and fragrance agent/natural product/preservative"	"phenyl alcohol"	"alcohol"	0	0	1	1
"C60168889"	"60168-88-9"	"Fenarimol"	"DSSTox_32390"	"Unknown"	"Fungicide"	"phenyl-phenyl [C] halide alcohol diazine"	NA	1	0	0	1
"C602017"	"602-01-7"	"2,3-Dinitrotoluene"	"DSSTox_27236"	""	"Munitions"	"phenyl nitro di"	"phenyl nitro"	0	1	0	1
"C60207901"	"60207-90-1"	"Propiconazole"	"DSSTox_24280"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C60333"	"60-33-3"	"Linoleic acid"	"DSSTox_25505"	""	"Industrial chemical/Natural product/adjuvant for flavorings"	"carboxylic acid ene"	"carboxylic acid"	0	0	1	1
"C603350"	"603-35-0"	"Triphenylphosphine"	"DSSTox_26251"	""	"Chemical intermediate"	"triphenyl [P]"	"phenyl"	0	0	1	1
"C60355"	"60-35-5"	"Acetamide"	"DSSTox_20005"	""	"Solvent/plasticizer"	"amide"	"amide"	0	1	1	1
"C604751"	"604-75-1"	"Oxazepam"	"DSSTox_21087"	"GABARx [ GABAR1 ]"	"Pharmaceutical"	"phenyl-phenyl [C] amide halide"	NA	0	0	1	1
"C60515"	"60-51-5"	"Dimethoate"	"DSSTox_20479"	"ACHE"	"Insecticide"	"thiophosphate amide"	NA	1	0	0	1
"C605458"	"605-45-8"	"Diisopropyl phthalate"	"DSSTox_40731"	""	"Plastics"	"phthalate"	"phthalate"	0	0	1	1
"C60548"	"60-54-8"	"Tetracycline"	"DSSTox_23645"	"Bacterial target"	"Pharmaceutical"	"tetracycline-like"	NA	0	1	0	1
"C6055192"	"6055-19-2"	"Cyclophosphamide monohydrate"	"DSSTox_24888"	"DNA"	"Pharmaceutical"	"phosphamide"	NA	0	1	0	1
"C60560"	"60-56-0"	"Methimazole"	"DSSTox_20820"	"TPO"	"Pharmaceutical"	"thiourea"	NA	0	1	0	1
"C60571"	"60-57-1"	"Dieldrin"	"DSSTox_20453"	"Ion channel"	"Insecticide"	"polychloro-bicycle epoxide"	"polychloro-bicycle"	0	1	0	1
"C606202"	"606-20-2"	"2,6-Dinitrotoluene"	"DSSTox_20528"	""	"Chemical reactant (explosives)(polymers)"	"phenyl nitro di"	"phenyl nitro"	0	1	0	1
"C6088513"	"6088-51-3"	"6-Hydroxy-2-naphthyl disulfide"	"DSSTox_25429"	""	"No uses known"	"phenolnaphthalene-phenolnaphthalene [SS] alcohol"	"PAH-ol"	0	0	1	1
"C609541"	"609-54-1"	"2,5-Dimethylbenzenesulfonic acid"	"DSSTox_41641"	""	"Unknown"	"phenyl sulfuric acid"	NA	0	0	1	1
"C611201"	"611-20-1"	"Benzonitrile, 2-hydroxy-"	"DSSTox_41661"	""	"Chemical intermediate (Pharma) (pesticide)"	"phenol nitrile"	NA	0	0	1	1
"C611701"	"611-70-1"	"Isopropyl phenyl ketone"	"DSSTox_48202"	""	"Chemical intermediate (Fine chemicals)"	"phenyl ketone"	NA	0	0	1	1
"C612828"	"612-82-8"	"3,3'-Dimethylbenzidine dihydrochloride"	"DSSTox_20511"	""	"Chemical reactant (dyes)"	"aniline-aniline"	"aniline"	0	0	1	1
"C614459"	"614-45-9"	"tert-Butyl perbenzoate"	"DSSTox_24699"	""	"Chemical intermediate/curing agent"	"phenyl carboxylate"	"phenyl carboxylate"	0	1	0	1
"C6149037"	"6149-03-7"	"Sodium 4-octylbenzenesulfonate"	"DSSTox_47594"	""	"Surfactant"	"phenyl sulfuric acid"	NA	0	0	1	1
"C6152336"	"6152-33-6"	"Sodium 2-phenylphenate tetrahydrate"	"DSSTox_40794"	""	"post-harvest pesticide"	"phenol-phenylphenol-2"	"phenol"	0	0	1	1
"C6153646"	"6153-64-6"	"Oxytetracycline dihydrate"	"DSSTox_23412"	"Bacterial target"	"Pharmaceutical"	"tetracycline-like"	NA	1	0	0	1
"C616455"	"616-45-5"	"2-Pyrrolidinone"	"DSSTox_27246"	""	"Chemical intermediate/industrial colvent"	"pyrrolidone"	NA	0	0	1	1
"C61734"	"61-73-4"	"Methylene blue"	"DSSTox_23296"	""	"Dye"	"phenyl-phenyl [N:S] amine"	NA	0	0	1	1
"C61791126"	"61791-12-6"	"Cremophor(R) EL"	"DSSTox_47696"	""	"Emulsifier/lubricant"	"oil"	NA	0	0	1	1
"C61825"	"61-82-5"	"Amitrole"	"DSSTox_20076"	"Unknown"	"Herbicide"	"triazole amine"	NA	0	0	1	1
"C618451"	"618-45-1"	"3-Isopropylphenol"	"DSSTox_44571"	""	"flavor and fragrance agent"	"phenol alkyl"	"phenol"	0	0	1	1
"C6190654"	"6190-65-4"	"Deethylatrazine"	"DSSTox_37494"	""	"Degradation product of Atrazine"	"triazine chloro"	NA	0	0	1	1
"C620177"	"620-17-7"	"3-Ethylphenol"	"DSSTox_22480"	""	"Chemical reactant/flavoring agent"	"phenol alkyl"	"phenol"	0	0	1	1
"C621647"	"621-64-7"	"N-Nitrosodipropylamine"	"DSSTox_21032"	""	"research use only/by-product of several reactions"	"nitrosoamine"	NA	0	1	0	1
"C62237"	"62-23-7"	"4-Nitrobenzoic acid"	"DSSTox_20966"	""	"Chemical reactant"	"phenyl carboxylic acid nitrate"	NA	0	1	0	1
"C622979"	"622-97-9"	"4-Methylstyrene"	"DSSTox_20889"	""	"Chemical reactant (polymers)"	"phenyl alkyl"	"phenyl"	0	0	1	1
"C62384"	"62-38-4"	"Phenylmercuric acetate"	"DSSTox_21150"	""	"Fungicide"	"organometallic"	"organometallic"	0	1	0	1
"C625558"	"625-55-8"	"Isopropyl formate"	"DSSTox_27258"	""	"Fumigant/chemical reactant/flavor and fragrance agent"	"formate"	NA	0	0	1	1
"C62566"	"62-56-6"	"Thiourea"	"DSSTox_21348"	""	"Cleaning agent/antioxidant"	"thiourea"	NA	0	0	1	1
"C6259763"	"6259-76-3"	"Hexyl salicylate"	"DSSTox_38924"	""	"flavor and fragrance agent"	"salicylate"	NA	0	0	1	1
"C626437"	"626-43-7"	"3,5-Dichloroaniline"	"DSSTox_30307"	""	"Chemical reactant"	"aniline chloride"	"aniline halide"	0	0	1	1
"C62737"	"62-73-7"	"Dichlorvos"	"DSSTox_20449"	"ACHE"	"Insecticide"	"phosphate alkyl halide"	NA	1	0	0	1
"C62748"	"62-74-8"	"Sodium fluoroacetate"	"DSSTox_24311"	""	"Poison (coyotes and rodents)"	"carboxylic acid halide"	"carboxylic acid"	0	0	1	1
"C62759"	"62-75-9"	"N-Nitrosodimethylamine"	"DSSTox_21029"	""	"Chemical intermediate/industrial by-product"	"nitrosoamine"	NA	0	1	1	1
"C627930"	"627-93-0"	"Dimethyl adipate"	"DSSTox_25096"	""	"Plasticizer/solvent"	"carboxylate di"	"carboxylate"	0	1	0	1
"C6285058"	"6285-05-8"	"Ethyl 4-chlorophenyl ketone"	"DSSTox_48203"	""	"Pharmaceuticals/chemical synthesis"	"phenyl chloro ketone"	NA	0	0	1	1
"C628637"	"628-63-7"	"Pentyl acetate"	"DSSTox_27263"	""	"Solvent/Flavoring agent/insecticide"	"carboxylate"	"carboxylate"	0	1	0	1
"C62924703"	"62924-70-3"	"Flumetralin"	"DSSTox_32553"	"Microtuble"	"Herbicide (plant growth regulator)"	"aniline alkylate dinitro fluoro"	"aniline alkylate dinitro"	1	0	0	1
"C629629"	"629-62-9"	"Pentadecane"	"DSSTox_27268"	""	"Solvent/chemical intermediate"	"alkane"	"alkane"	0	1	0	1
"C629765"	"629-76-5"	"1-Pentadecanol"	"DSSTox_27270"	""	"Chemical intermediate/may be naturally-occurring"	"alcohol pri"	"alcohol"	0	1	0	1
"C630568"	"630-56-8"	"Hydroxyprogesterone caproate"	"DSSTox_43915"	"PGR"	"Pharmaceutical"	"steroid P"	"steroid"	0	0	1	1
"C63058"	"63-05-8"	"4-Androstene-3,17-dione"	"DSSTox_24523"	"AR"	"Pharmaceutical"	"steroid A"	"steroid"	0	1	1	1
"C6317186"	"6317-18-6"	"Methylene bis(thiocyanate)"	"DSSTox_25599"	""	"Microbicide"	"thiocyanate"	NA	1	0	0	1
"C63252"	"63-25-2"	"Carbaryl"	"DSSTox_20247"	"ACHE"	"Insecticide"	"naphthalene carbamate"	NA	1	0	0	1
"C633965"	"633-96-5"	"C.I. Acid Orange 7"	"DSSTox_38881"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C63423"	"63-42-3"	"Lactose"	"DSSTox_23193"	"Unknown"	"Food additive/filler"	"sugar alcohol"	NA	0	0	1	1
"C6344678"	"6344-67-8"	"3-Hydroxyfluorene"	"DSSTox_47540"	""	"Urinary metabolite of Fluorene"	"PAH-ol"	"PAH-ol"	0	1	0	1
"C63449412"	"63449-41-2"	"C8-18-Alkydimethylbenzyl ammonium chlorides"	"DSSTox_48122"	""	"Microbiocide"	"quaternary ammonium salt"	NA	0	0	1	1
"C6359826"	"6359-82-6"	"Acid Yellow 11"	"DSSTox_47451"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C6359906"	"6359-90-6"	"C.I. Acid Yellow 34, monosodium salt"	"DSSTox_41646"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C6359984"	"6359-98-4"	"C.I. Acid Yellow 17, disodium salt"	"DSSTox_41719"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C63612500"	"63612-50-0"	"Nilutamide"	"DSSTox_34165"	"AR"	"Pharmaceutical"	"phenyl nitro halide amide"	NA	0	1	1	1
"C636215"	"636-21-5"	"2-Methylaniline hydrochloride"	"DSSTox_21364"	""	"Chemical intermediate"	"aniline"	"aniline"	0	0	1	1
"C637070"	"637-07-0"	"Clofibrate"	"DSSTox_20336"	"PPARA"	"Pharmaceutical"	"phenol ethoxylate carboxylic acid halide"	NA	0	1	0	1
"C6381777"	"6381-77-7"	"Sodium erythorbate (1:1)"	"DSSTox_20570"	""	"Food additive (preservative)"	"ascorbate"	NA	0	1	0	1
"C64108"	"64-10-8"	"Urea, phenyl-"	"DSSTox_42507"	""	"Pesticide breakdown product/Industrial intermediate"	"phenyl urea"	"phenyl urea"	0	0	1	1
"C6422862"	"6422-86-2"	"Bis(2-ethylhexyl) terephthalate"	"DSSTox_27625"	""	"Plasticizer"	"phthalate tere"	"phthalate"	0	1	0	1
"C64359815"	"64359-81-5"	"4,5-Dichloro-2-octyl-3(2H)-isothiazolone"	"DSSTox_32315"	""	"Microbiocide"	"thiazole ketone halide"	NA	0	0	1	1
"C643798"	"643-79-8"	"1,2-Benzenedicarboxaldehyde"	"DSSTox_32514"	""	"Chemical reagent"	"phenyl aldehyde"	"aldehyde"	0	1	0	1
"C644973"	"644-97-3"	"Phenyl phosphorus dichloride"	"DSSTox_27282"	""	"Chemical intermediate/Chemical additive"	"phenyl chlorphosphene"	NA	0	0	1	1
"C645567"	"645-56-7"	"4-Propylphenol"	"DSSTox_22100"	""	"flavor and fragrance agent"	"phenol alkyl"	"phenol"	0	0	1	1
"C645625"	"645-62-5"	"2-Ethyl-2-hexenal"	"DSSTox_25296"	""	"Insecticide/Chemical intermediate"	"aldehyde ene"	"aldehyde"	0	0	1	1
"C6459945"	"6459-94-5"	"C.I. Acid Red 114"	"DSSTox_21224"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C64675"	"64-67-5"	"Diethyl sulfate"	"DSSTox_24045"	""	"Chemical reagent (Dyes)"	"sulfate alkyl"	NA	0	1	0	1
"C64700567"	"64700-56-7"	"Triclopyr-butotyl"	"DSSTox_32579"	""	"Herbicide"	"pyridine carboxylate halide"	NA	0	0	1	1
"C647427"	"647-42-7"	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	"DSSTox_44572"	""	"Chemical intermediate"	"perfluoro alcohol"	NA	0	1	0	1
"C6485401"	"6485-40-1"	"R-(-)-Carvone"	"DSSTox_41413"	""	"flavor and fragrance agent/natural product"	"ketone cycloalkyl"	"ketone"	0	0	1	1
"C64868"	"64-86-8"	"Colchicine"	"DSSTox_24845"	"TUBBx [ TUBB TUBB3 TUBA1A ]"	"Pharmaceutical"	"Pharma Class 4.306"	NA	0	1	0	1
"C648917139"	"648917-13-9"	"AVE2865"	"DSSTox_47376"	"PYGM"	"Pharmaceutical"	"Pharma Class 3.485"	NA	0	1	0	1
"C65236"	"65-23-6"	"Pyridoxine"	"DSSTox_23541"	"Unknown"	"Vitamin"	"pyridine alcohol-2"	NA	0	1	0	1
"C65277421"	"65277-42-1"	"Ketoconazole"	"DSSTox_29879"	"Sterol synthesis"	"Fungicide"	"conazole"	"conazole"	0	1	0	1
"C654055013"	"654055-01-3"	"Morin hydrate"	"DSSTox_40776"	""	"research chemical/natural product"	"genistein-like"	NA	0	0	1	1
"C65452"	"65-45-2"	"Salicylamide"	"DSSTox_21726"	"Unknown"	"Pharmaceutical"	"phenol amide"	NA	0	0	1	1
"C657841"	"657-84-1"	"Sodium 4-methylbenzenesulfonate"	"DSSTox_42415"	""	"Chemical reagent (dyes)/Solvent"	"phenyl sulfuric acid"	NA	0	0	1	1
"C65850"	"65-85-0"	"Benzoic acid"	"DSSTox_20143"	""	"Preservative(Food and Drugs)/Chemical intermediate"	"phenyl carboxylic acid"	"phenyl carboxylic acid"	0	1	0	1
"C6610293"	"6610-29-3"	"N-Methylhydrazinecarbothioamide"	"DSSTox_44390"	""	"Chemical intermediate (Pesticides)"	"thiourea"	NA	0	0	1	1
"C66215278"	"66215-27-8"	"Cyromazine"	"DSSTox_23999"	"Unknown"	"Insecticide"	"triazine amine"	NA	1	0	0	1
"C66230044"	"66230-04-4"	"Esfenvalerate"	"DSSTox_32667"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C6624733"	"6624-73-3"	"Pentane-1,5-diyl dibenzoate"	"DSSTox_47538"	""	"Chemical reagent"	"phenyl carboxylate"	"phenyl carboxylate"	0	1	0	1
"C6625463"	"6625-46-3"	"C.I. Acid Violet 12, disodium salt"	"DSSTox_41715"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C66273"	"66-27-3"	"Methyl methanesulfonate"	"DSSTox_20845"	""	"Insect repellent/insect attractant/Experimental chemical"	"sulfate alkyl"	NA	0	1	0	1
"C66332965"	"66332-96-5"	"Flutolanil"	"DSSTox_24109"	"Unknown"	"Fungicide"	"phenyl-phenyl [amide] alkoxy"	NA	1	0	0	1
"C66357355"	"66357-35-5"	"Ranitidine"	"DSSTox_45191"	"HRH2"	"Pharmaceutical"	"furan nitro amine nitrate"	NA	0	0	1	1
"C66441234"	"66441-23-4"	"Fenoxaprop-ethyl"	"DSSTox_32392"	"ACACA"	"Herbicide"	"aryloxyphenoxypropionic"	NA	1	0	0	1
"C66456539"	"66456-53-9"	"Adipic acid, polypropyleneglycol, laurate"	"DSSTox_47527"	""	"Unknown"	"carboxylic acid carboxylate"	NA	0	1	0	1
"C66575299"	"66575-29-9"	"Forskolin"	"DSSTox_40484"	"GNAS"	"Pharmaceutical"	"steroid-like"	NA	0	0	1	1
"C66717"	"66-71-7"	"1,10-Phenanthroline"	"DSSTox_25857"	"Iron chelator"	"Pharmaceutical"	"quinoline"	NA	0	0	1	1
"C66819"	"66-81-9"	"Cycloheximide"	"DSSTox_24882"	"DNA"	"Fungicide"	"Pharma Class 4.193"	NA	0	1	1	1
"C6683198"	"6683-19-8"	"Irganox 1010"	"DSSTox_27633"	""	"Antioxidant"	"phenol carboxylate chelator 4"	NA	0	0	1	1
"C668981020"	"668981-02-0"	"CP-863187"	"DSSTox_47294"	"MAPKx [  MAPK11 ]"	"Pharmaceutical"	"Pharma Class 4.167"	NA	0	1	0	1
"C6706598"	"6706-59-8"	"L-Glucitol"	"DSSTox_42096"	""	"Natural product"	"sugar alcohol"	NA	0	0	1	1
"C67209"	"67-20-9"	"Nitrofurantoin"	"DSSTox_20972"	"Bacterial target"	"Pharmaceutical"	"furan nitro amine nitrate"	NA	0	1	0	1
"C6728263"	"6728-26-3"	"(2E)-2-Hexenal"	"DSSTox_41425"	""	"flavor and fragrance agent"	"aldehyde ene"	"aldehyde"	0	0	1	1
"C67301"	"67-30-1"	"Tetrac"	"DSSTox_48186"	"THRA"	"Pharmaceutical"	"phenol-phenyl [O] iodo  carboxylic acid"	"phenol"	0	1	1	1
"C6734801"	"6734-80-1"	"Metam-sodium hydrate"	"DSSTox_40361"	"Unknown"	"Herbicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C67485294"	"67485-29-4"	"Hydramethylnon"	"DSSTox_23868"	"Mitochondria"	"Insecticide"	"conazole (imidazoles)"	"conazole"	0	0	1	1
"C67564914"	"67564-91-4"	"(2R,6S)-Fenpropimorph"	"DSSTox_34601"	""	"Fungicide"	"morpholine"	NA	0	0	1	1
"C676116044"	"676116-04-4"	"PD 0343701"	"DSSTox_47271"	"HTR2C"	"Pharmaceutical"	"Pharma Class 4.340"	NA	0	1	0	1
"C67685"	"67-68-5"	"Dimethyl sulfoxide"	"DSSTox_21735"	""	"Solvent/pharmaceutical/occurs naturally"	"sulfoxide"	NA	0	0	1	1
"C67747095"	"67747-09-5"	"Prochloraz"	"DSSTox_24270"	"Unknown"	"Fungicide"	"conazole (imidazoles) amide"	"conazole"	1	0	0	1
"C67786145"	"67786-14-5"	"Acid Red 337"	"DSSTox_44713"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C678397"	"678-39-7"	"1,1,2,2-Tetrahydroperfluoro-1-decanol"	"DSSTox_29904"	""	"Industrial raw material"	"perfluoro alcohol"	NA	0	1	0	1
"C6789884"	"6789-88-4"	"Hexyl benzoate"	"DSSTox_25403"	""	"flavor and fragrance agent"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C68111"	"68-11-1"	"Thioglycolic acid"	"DSSTox_26141"	""	"Chemical reactant"	"carboxylic acid sulfide"	NA	0	0	1	1
"C68122"	"68-12-2"	"N,N-Dimethylformamide"	"DSSTox_20515"	""	"Solvent"	"amide"	"amide"	0	1	0	1
"C68157608"	"68157-60-8"	"Forchlorfenuron"	"DSSTox_34634"	"Unknown"	"Plant Growth Regulator"	"pyridine phenyl urea halide"	NA	1	0	0	1
"C68169039"	"68169-03-9"	"2-(Dihydrocyclopentadienyloxy)ethyl methacrylate"	"DSSTox_41302"	""	"Unknown"	"carboxylate ether"	NA	0	0	1	1
"C682019"	"682-01-9"	"Tetrapropyl orthosilicate"	"DSSTox_42382"	""	"Chemical reagent"	"silicate"	"silicate"	0	0	1	1
"C68224"	"68-22-4"	"Norethindrone"	"DSSTox_23380"	"PGR"	"Pharmaceutical"	"steroid P"	"steroid"	0	1	1	1
"C68268"	"68-26-8"	"Retinol"	"DSSTox_23556"	"RARA RARB RARG"	"Pharmaceutical"	"alcohol pri ene cyclo"	"alcohol"	0	1	0	1
"C683181"	"683-18-1"	"Dibutyltin dichloride"	"DSSTox_27292"	""	"Microbicide"	"organometallic"	"organometallic"	0	0	1	1
"C68359375"	"68359-37-5"	"Cyfluthrin"	"DSSTox_35957"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C68392358"	"68392-35-8"	"4-Hydroxytamoxifen"	"DSSTox_37094"	"ESR1 ESR2"	"Pharmaceutical"	"tamoxifen-like"	NA	0	1	1	1
"C6846500"	"6846-50-0"	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	"DSSTox_27635"	""	"Chemical additive (plastics)"	"carboxylate di"	"carboxylate"	0	1	0	1
"C684935"	"684-93-5"	"N-Nitroso-N-methylurea"	"DSSTox_21006"	""	"research chemical (no production)"	"urea"	NA	0	0	1	1
"C68515480"	"68515-48-0"	"DINP branched"	"DSSTox_28665"	""	"Plastics"	"phthalate"	"phthalate"	0	0	1	1
"C68515491"	"68515-49-1"	"1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich"	"DSSTox_28666"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C68515753"	"68515-75-3"	"Hexanedioic acid, di-C7-9-branched and linear alkyl esters"	"DSSTox_47517"	""	"Plasticizer"	"carboxylate di"	"carboxylate"	0	0	1	1
"C68555862"	"68555-86-2"	"Acid Orange 156"	"DSSTox_44718"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C68609972"	"68609-97-2"	"C12-14-Alkyl glycidyl ether"	"DSSTox_28774"	""	"Chemical Intermediate"	"ether epoxide"	NA	0	0	1	1
"C68694111"	"68694-11-1"	"Triflumizole"	"DSSTox_32500"	"Unknown"	"Fungicide"	"conazole (imidazoles)"	"conazole"	1	0	0	1
"C68917180"	"68917-18-0"	"Cornmint oil"	"DSSTox_47712"	""	"Natural product"	"oil"	NA	0	0	1	1
"C6893023"	"6893-02-3"	"3,5,3'-Triiodothyronine"	"DSSTox_23216"	"THRB"	"Pharmaceutical"	"phenol-phenyl [O] iodo carboxylic acid"	"phenol"	0	1	1	1
"C68959206"	"68959-20-6"	"Disiquonium chloride "	"DSSTox_35589"	""	"Microbiocide"	"quaternary ammonium oxide"	NA	0	0	1	1
"C68962"	"68-96-2"	"17alpha-Hydroxyprogesterone"	"DSSTox_40747"	"PGR"	"Pharmaceutical"	"steroid P"	"steroid"	0	1	1	1
"C69090"	"69-09-0"	"Chlorpromazine hydrochloride"	"DSSTox_24827"	"DRD1 DRD2 DRD3 HTR2A HTR1A HRH1 ADRA1A ADRA2A"	"Pharmaceutical"	"phenyl halide amine"	"phenyl halide"	0	1	0	1
"C6915157"	"6915-15-7"	"Malic acid"	"DSSTox_27640"	""	"Chemical reagent/Natural product"	"alcohol sec carboxylic acid di"	"alcohol carboxylic acid"	0	1	0	1
"C6923224"	"6923-22-4"	"Monocrotophos"	"DSSTox_34816"	"ACHE"	"Insecticide"	"phosphate alkyl ene amide"	NA	1	0	0	1
"C692864"	"692-86-4"	"Ethyl undec-10-enoate"	"DSSTox_44828"	""	"flavor and fragrance agent"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C69327760"	"69327-76-0"	"Buprofezin"	"DSSTox_34401"	"Unknown"	"Insecticide"	"benzimidazolyl carbamate"	NA	1	0	0	1
"C69377817"	"69377-81-7"	"Fluroxypyr"	"DSSTox_34627"	"Unknown"	"Herbicide"	"pyridine alkoxy carboxylic acid halide"	NA	1	0	0	1
"C695067"	"695-06-7"	"gamma-Caprolactone"	"DSSTox_41298"	""	"inert in non-food pesticides/Flavoring agent"	"olide"	NA	0	0	1	1
"C69655056"	"69655-05-6"	"2',3'-Dideoxyinosine"	"DSSTox_22927"	"HIV Reverse Transcriptase"	"Pharmaceutical"	"stavudine-like"	NA	0	1	0	1
"C69658"	"69-65-8"	"D-Mannitol"	"DSSTox_23235"	"Unknown"	"Sweetening Agents"	"sugar alcohol"	NA	0	1	0	1
"C69727"	"69-72-7"	"Salicylic acid"	"DSSTox_26368"	""	"Natural product"	"phenol carboxylic acid"	NA	0	0	1	1
"C69749"	"69-74-9"	"Cytarabine hydrochloride"	"DSSTox_24891"	"DNA"	"Pharmaceutical"	"stavudine-like"	NA	0	1	0	1
"C69806402"	"69806-40-2"	"Haloxyfop-methyl"	"DSSTox_24123"	"ACACA"	"Herbicide"	"pyridine alkoxy carboxylic acid halide"	NA	0	0	1	1
"C69806504"	"69806-50-4"	"Fluazifop-butyl"	"DSSTox_34612"	"ACACA"	"Herbicide"	"phenyl-pyradine [O] alkoxy carboxylate halide"	NA	1	0	0	1
"C7011838"	"7011-83-8"	"2(3H)-Furanone, 5-hexyldihydro-5-methyl-"	"DSSTox_41299"	""	"flavor and fragrance agent"	"olide"	NA	0	0	1	1
"C70553"	"70-55-3"	"4-Toluenesulfonamide"	"DSSTox_29105"	""	"Fungus growth regulator/plasticizer/Chemical intermediate (pesticides)"	"phenyl sulfonamide"	NA	0	0	1	1
"C705602"	"705-60-2"	"(2-Nitro-1-propenyl)benzene"	"DSSTox_41188"	""	"Unknown"	"phenyl nitro"	"phenyl nitro"	0	0	1	1
"C70568604"	"70568-60-4"	"4-Butylcyclohexanol"	"DSSTox_48204"	""	"Chemical Intermediate"	"alcohol sec alkane cyclo"	"alcohol"	0	0	1	1
"C706149"	"706-14-9"	"gamma-Decanolactone"	"DSSTox_22109"	""	"flavor and fragrance agent"	"olide"	NA	0	0	1	1
"C7080504"	"7080-50-4"	"Chloramine-T trihydrate"	"DSSTox_40795"	""	"Biocide/chemical reactant"	"phenyl sulfonamide"	NA	0	0	1	1
"C709988"	"709-98-8"	"Propanil"	"DSSTox_22111"	"Unknown"	"Herbicide"	"phenyl amide halide"	"phenyl halide"	1	0	0	1
"C71238"	"71-23-8"	"1-Propanol"	"DSSTox_21739"	""	"Solvent/antiseptic/Chemical intermediate"	"alcohol pri"	"alcohol"	0	0	1	1
"C712505"	"712-50-5"	"Cyclohexylphenylketone"	"DSSTox_48182"	""	"Fragrance agent"	"phenyl ketone"	NA	0	1	1	1
"C71283802"	"71283-80-2"	"Fenoxaprop-P-ethyl"	"DSSTox_34598"	"ACACA"	"Herbicide"	"aryloxyphenoxypropionic"	NA	0	0	1	1
"C71526073"	"71526-07-3"	"MON-4660"	"DSSTox_44575"	""	"Herbicide Safener"	"benoxacor-like"	NA	0	0	1	1
"C7173515"	"7173-51-5"	"Didecyldimethylammonium chloride"	"DSSTox_32537"	""	"Bactericide"	"quaternary ammonium salt"	NA	0	1	0	1
"C71751412"	"71751-41-2"	"Abamectin"	"DSSTox_23892"	"GABARx [ GABAR1 ]"	"Insecticide"	"mectin"	NA	1	0	0	1
"C717748"	"717-74-8"	"1,3,5-Triisopropylbenzene"	"DSSTox_41232"	""	"Chemical Intermediate"	"phenyl alkyl"	"phenyl"	0	0	1	1
"C7212444"	"7212-44-4"	"Nerolidol"	"DSSTox_22247"	""	"flavor and fragrance agent"	"alcohol ter ene"	"alcohol"	0	0	1	1
"C72178020"	"72178-02-0"	"Fomesafen"	"DSSTox_24112"	"PPO"	"Herbicide"	"phenyl-phenyl [O] nitro halide sulfonamide"	NA	0	1	0	1
"C72208"	"72-20-8"	"Endrin"	"DSSTox_20561"	"Ion channel"	"Insecticide"	"polychloro-bicycle epoxide"	"polychloro-bicycle"	0	1	0	1
"C72333"	"72-33-3"	"Mestranol"	"DSSTox_20814"	"ESR1"	"Pharmaceutical"	"steroid E"	"steroid"	0	0	1	1
"C72435"	"72-43-5"	"Methoxychlor"	"DSSTox_20827"	"Ion channel Na"	"Insecticide"	"phenyl-phenyl [C] alkoxy halide"	NA	1	0	1	1
"C72490018"	"72490-01-8"	"Fenoxycarb"	"DSSTox_32393"	"Unknown"	"Insecticide"	"phenyl-phenyl [O] alkoxy carbamate"	NA	1	0	0	1
"C725228455"	"725228-45-5"	"AVE5638"	"DSSTox_47371"	"TPSAB1"	"Pharmaceutical"	"Pharma Class 4.58"	NA	0	1	0	1
"C72548"	"72-54-8"	"p,p'-DDD"	"DSSTox_20373"	"Ion channel Na"	"Insecticide"	"phenyl-phenyl [C] chloro"	"phenyl chloro"	0	1	0	1
"C72559"	"72-55-9"	"p,p'-DDE"	"DSSTox_20374"	"Ion channel Na"	"Degradate of DDT ( CASRN 50-29-3)"	"phenyl-phenyl [C] chloro"	"phenyl chloro"	0	1	1	1
"C7287196"	"7287-19-6"	"Prometryn"	"DSSTox_24272"	"Unknown"	"Herbicide"	"triazine amine"	NA	1	0	0	1
"C732116"	"732-11-6"	"Phosmet"	"DSSTox_24261"	"ACHE"	"Insecticide"	"isoindole thiophosphate phthalimide"	NA	0	1	0	1
"C73223"	"73-22-3"	"l-Tryptophan"	"DSSTox_21419"	""	"Dietary supplement/natural product"	"amino acid"	NA	0	1	0	1
"C732263"	"732-26-3"	"2,4,6-Tris(tert-butyl)phenol"	"DSSTox_21311"	""	"Plastic Auxiliary agent (antioxidant)"	"phenol alkyl"	"phenol"	0	1	0	1
"C73314"	"73-31-4"	"Melatonin"	"DSSTox_22421"	"MTNR1A"	"Natural product/Pharmaceutical"	"Pharma Class 3.172"	NA	0	0	1	1
"C7378996"	"7378-99-6"	"N,N-Dimethyloctylamine"	"DSSTox_36299"	""	"Chemical intermediate"	"amine ter"	"amine"	0	1	0	1
"C7398698"	"7398-69-8"	"Dimethyldiallylammonium chloride"	"DSSTox_27650"	""	"Chemical reactant"	"quaternary ammonium salt"	NA	0	0	1	1
"C74051802"	"74051-80-2"	"Sethoxydim"	"DSSTox_24304"	"ACACA"	"Herbicide"	"cyclohexene oxime"	NA	1	0	0	1
"C74115245"	"74115-24-5"	"Clofentezine"	"DSSTox_23881"	"Unknown"	"Insecticide"	"phenyl-phenyl [tetrazine] halide"	NA	1	0	0	1
"C741582"	"741-58-2"	"Bensulide"	"DSSTox_32329"	"cyp19a1 (?)"	"Herbicide"	"phenyl sulfonamide thiophosphate"	NA	1	0	0	1
"C742693385"	"742693-38-5"	"SSR504734"	"DSSTox_47348"	"SLC6A9"	"Pharmaceutical"	"Pharma Class 3.485"	NA	0	1	0	1
"C744456"	"744-45-6"	"Diphenyl isophthalate"	"DSSTox_37752"	""	"Plasticizer"	"phthalate iso"	"phthalate"	0	1	0	1
"C7487947"	"7487-94-7"	"Mercuric chloride"	"DSSTox_20811"	""	"Bactericide"	"heavy metal salt"	"organometallic"	0	1	0	1
"C75330755"	"75330-75-5"	"Lovastatin"	"DSSTox_20784"	"HMGCR"	"Pharmaceutical"	"statin"	NA	0	1	0	1
"C753731"	"753-73-1"	"Dimethyltin dichloride"	"DSSTox_27304"	""	"Microbicide"	"organometallic"	"organometallic"	0	0	1	1
"C7540514"	"7540-51-4"	"(S)-(-)-beta-Citronellol"	"DSSTox_41550"	""	"flavor and fragrance agent"	"alcohol pri ene"	"alcohol"	0	0	1	1
"C754916"	"754-91-6"	"PFOSA"	"DSSTox_38939"	""	"Fluorosurfactant"	"perfluoro sulfonamide"	NA	0	1	0	1
"C75503"	"75-50-3"	"Trimethylamine"	"DSSTox_26238"	""	"Chemical reactant/Insect attractant"	"amine ter"	"amine"	0	0	1	1
"C75605"	"75-60-5"	"Dimethylarsinic acid"	"DSSTox_20508"	""	"Herbicide"	"organometallic"	"organometallic"	1	0	0	1
"C75649"	"75-64-9"	"tert-Butylamine"	"DSSTox_24681"	""	"Chemical intermediate"	"amine pri"	"amine"	0	0	1	1
"C756796"	"756-79-6"	"Dimethyl methylphosphonate"	"DSSTox_20494"	""	"Flame retardant/Chemical additive"	"phosphate alkyl"	NA	0	0	1	1
"C75865"	"75-86-5"	"2-Hydroxy-2-methylpropanenitrile"	"DSSTox_25427"	""	"Chemical reactant"	"alcohol ter nitrile"	"alcohol nitrile"	0	0	1	1
"C75990"	"75-99-0"	"Dalapon"	"DSSTox_21575"	"Unknown"	"Herbicide"	"carboxylic acid halide"	"carboxylic acid"	0	1	0	1
"C759944"	"759-94-4"	"EPTC"	"DSSTox_24091"	"cyp19a1 (?)"	"Herbicide"	"thiocarbamate"	"carbamate"	1	0	0	1
"C760236"	"760-23-6"	"3,4-Dichloro-1-butene"	"DSSTox_22113"	""	"Chemical intermediate"	"alkene chloride"	NA	0	0	1	1
"C76039"	"76-03-9"	"Trichloroacetic acid"	"DSSTox_21378"	""	"Pharmaceutical/Chemical reactant"	"carboxylic acid halide"	"carboxylic acid"	0	1	0	1
"C762049"	"762-04-9"	"Diethyl phosphite"	"DSSTox_41861"	""	"Solvent/Chemical intermediate"	"phosphite alkyl"	NA	0	0	1	1
"C7632000"	"7632-00-0"	"Sodium nitrite"	"DSSTox_20941"	""	"Chemical additive/Chemical intermediate"	"inorganic"	NA	0	1	0	1
"C76448"	"76-44-8"	"Heptachlor"	"DSSTox_20679"	"Unknown"	"Insecticide"	"polychloro-bicycle"	"polychloro-bicycle"	0	1	0	1
"C76493"	"76-49-3"	"Bornyl acetate"	"DSSTox_41675"	""	"flavor and fragrance agent"	"isobornyl"	NA	0	0	1	1
"C76578148"	"76578-14-8"	"Quizalofop-ethyl"	"DSSTox_23889"	"ACACA"	"Herbicide"	"pyridine alkoxy carboxylic acid halide"	NA	1	0	0	1
"C7659861"	"7659-86-1"	"2-Ethylhexyl sulfanylacetate"	"DSSTox_27656"	""	"Chemical intermediate"	"carboxylate sulfide"	NA	0	0	1	1
"C7664382"	"7664-38-2"	"Phosphoric acid"	"DSSTox_24263"	""	"Chemical reactant/water treatment"	"phosphoric acid"	NA	0	0	1	1
"C76738620"	"76738-62-0"	"Paclobutrazol"	"DSSTox_24242"	"Unknown"	"Herbicide (Plant growth regulator)"	"conazole"	"conazole"	1	0	0	1
"C7681767"	"7681-76-7"	"Ronidazole"	"DSSTox_45400"	"RNA"	"Unknown; primarily pharmaceutical"	"imidazole nitro carbamate"	NA	0	0	1	1
"C7681825"	"7681-82-5"	"Sodium iodide"	"DSSTox_41125"	""	"Solvent/human and veterinary medicine"	"inorganic"	NA	0	0	1	1
"C76879"	"76-87-9"	"Triphenyltin hydroxide"	"DSSTox_21409"	""	"Fungicide"	"organometallic"	"organometallic"	1	0	0	1
"C7696120"	"7696-12-0"	"Tetramethrin"	"DSSTox_32649"	"Ion channel Na"	"Insecticide"	"pyrethroid ester phthalimide"	NA	1	0	0	1
"C769926"	"769-92-6"	"4-tert-Butylaniline"	"DSSTox_48181"	""	"Chemical reactant"	"aniline"	"aniline"	0	0	1	1
"C770354"	"770-35-4"	"1-Phenoxy-2-propanol"	"DSSTox_27312"	""	"Solvent/inert in non-food pesticides"	"phenol ethoxylate alcohol"	NA	0	0	1	1
"C77065"	"77-06-5"	"Gibberellic acid"	"DSSTox_20656"	""	"Plant growth regulator/natural product"	"steroid-like"	NA	0	0	1	1
"C77098"	"77-09-8"	"Phenolphthalein"	"DSSTox_21125"	""	"Dye (pH indicator)/pharmaceutical"	"phenol-phenol [Cn] carboxylate"	"phenol"	0	1	0	1
"C77407"	"77-40-7"	"Bisphenol B"	"DSSTox_22442"	""	"Plastics"	"phenol-phenol [C]"	"phenol"	0	1	1	1
"C7747355"	"7747-35-5"	"5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane"	"DSSTox_29289"	""	"Bactericide"	"morpholine"	NA	0	1	0	1
"C77474"	"77-47-4"	"Hexachlorocyclopentadiene"	"DSSTox_20688"	""	"Industrial intermediate"	"alkane cyclo chloro"	"alkane cyclo chloro"	0	1	1	1
"C77485"	"77-48-5"	"1,3-Dibromo-5,5-dimethylhydantoin"	"DSSTox_35341"	""	"Disinfectant/slimicide"	"hydantoin"	NA	0	1	0	1
"C77501634"	"77501-63-4"	"Lactofen"	"DSSTox_24160"	"PPO"	"Herbicide"	"phenyl-phenyl [O] nitro halide carboxylate"	NA	1	0	0	1
"C7757791"	"7757-79-1"	"Potassium nitrate"	"DSSTox_29692"	""	"Fireworks/funigant"	"inorganic"	NA	0	0	1	1
"C77714"	"77-71-4"	"5,5-Dimethylhydantoin"	"DSSTox_21754"	""	"inert in pesticides/chemical reactant"	"hydantoin"	NA	0	1	0	1
"C7773060"	"7773-06-0"	"Ammonium sulfamate"	"DSSTox_23875"	""	"Herbicide"	"sulfamate"	NA	0	0	1	1
"C77736"	"77-73-6"	"Dicyclopentadiene"	"DSSTox_25023"	""	"Chemical intermediate"	"alkene cyclo"	"alkene"	0	0	1	1
"C7775271"	"7775-27-1"	"Sodium persulfate"	"DSSTox_29698"	""	"Surfactant (Component)"	"sulfuric acid"	NA	0	0	1	1
"C77781"	"77-78-1"	"Dimethyl sulfate"	"DSSTox_24055"	""	"Chemical reactant"	"sulfate alkyl"	NA	0	1	0	1
"C7779273"	"7779-27-3"	"1,3,5-Triethylhexahydro-s-triazine"	"DSSTox_32511"	""	"Biocide"	"triazine"	NA	0	0	1	1
"C77838"	"77-83-8"	"Ethyl methylphenylglycidate"	"DSSTox_20591"	""	"flavor and fragrance agent"	"phenyl carboxylate epoxide"	NA	0	0	1	1
"C7785264"	"7785-26-4"	"(-)-alpha-Pinene"	"DSSTox_29290"	""	"flavor and fragrance agent"	"alkene cyclo"	"alkene"	0	0	1	1
"C77861"	"77-86-1"	"Tromethamine"	"DSSTox_23723"	"PTGxR"	"Pharmaceutical"	"alcohol-3 amine"	"alcohol amine"	0	0	1	1
"C7786347"	"7786-34-7"	"Mevinphos"	"DSSTox_32683"	"ACHE"	"Insecticide"	"phosphate alkyl ene carboxylate"	NA	1	0	0	1
"C77907"	"77-90-7"	"Acetyl tributyl citrate"	"DSSTox_26446"	""	"Flavor agent/Plasticizer"	"carboxylate multi"	"carboxylate"	0	1	1	1
"C77929"	"77-92-9"	"Citric acid"	"DSSTox_20332"	""	"Natural product/food additive (flavor)/Chelating agent"	"alcohol ter carboxylate multi"	"alcohol carboxylate"	0	1	0	1
"C77930"	"77-93-0"	"Triethyl citrate"	"DSSTox_40701"	""	"Plasticizer/emulsifier"	"alcohol ter carboxylate multi"	"alcohol carboxylate"	0	1	0	1
"C78079"	"78-07-9"	"Ethyltriethoxysilane"	"DSSTox_41962"	""	"Unknown"	"silicate"	"silicate"	0	0	1	1
"C78115"	"78-11-5"	"Pentaerythritol tetranitrate"	"DSSTox_23430"	""	"Explosives"	"alkane nitrate multi"	NA	0	0	1	1
"C78400"	"78-40-0"	"Triethyl phosphate"	"DSSTox_26228"	""	"Catalyst/Solvent/Chemical reactant"	"phosphate alkyl"	NA	0	0	1	1
"C78422"	"78-42-2"	"Tris(2-ethylhexyl) phosphate"	"DSSTox_21414"	""	"Flame retardant/plasticizer"	"phosphate alkyl"	NA	0	1	0	1
"C78473719"	"78473-71-9"	"Enterolactone"	"DSSTox_48183"	""	"Phytoestrogen"	"Pharma Class 4.70"	NA	0	0	1	1
"C78488"	"78-48-8"	"Tribufos"	"DSSTox_24174"	"Esterase"	"Insecticide"	"thiophosphate alkyl"	NA	1	0	0	1
"C78491028"	"78491-02-8"	"Diazolidinyl urea"	"DSSTox_29559"	""	"Preservative (releases formaldahyde)"	"hydantoin"	NA	0	0	1	1
"C78513"	"78-51-3"	"Tris(2-butoxyethyl) phosphate"	"DSSTox_21758"	""	"Plasticizer/flame retardant"	"phosphate alkyl"	NA	0	0	1	1
"C78587050"	"78587-05-0"	"Hexythiazox"	"DSSTox_24299"	"Unknown"	"Insecticide"	"phenyl dicarboximide chloro"	NA	1	0	0	1
"C78591"	"78-59-1"	"Isophorone"	"DSSTox_20759"	""	"Solvent/chemical intermediate"	"ketone cycloalkyl"	"ketone"	0	1	0	1
"C78637"	"78-63-7"	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	"DSSTox_25110"	""	"Industrial reaction initiator"	"peroxide"	NA	0	1	0	1
"C78693"	"78-69-3"	"3,7-Dimethyl-3-octanol"	"DSSTox_29110"	""	"Inert in non-food pesticides/Flavoring agent or adjuvant"	"alcohol ter"	"alcohol"	0	0	1	1
"C78706"	"78-70-6"	"Linalool"	"DSSTox_25502"	""	"flavor and fragrance agent/natural product"	"alcohol ter ene"	"alcohol"	0	0	1	1
"C78820"	"78-82-0"	"2-Methylpropanenitrile"	"DSSTox_26461"	""	"Chemical reactant/catalyst"	"nitrile"	NA	0	0	1	1
"C789026"	"789-02-6"	"o,p'-DDT"	"DSSTox_22345"	"Ion channel Na"	"Insecticide"	"phenyl-phenyl [C] chloro"	"phenyl chloro"	0	1	1	1
"C78966"	"78-96-6"	"1-Amino-2-propanol"	"DSSTox_21764"	""	"Emulsifier/Flavor agent"	"alcohol sec amine pri"	"alcohol amine"	0	0	1	1
"C79061"	"79-06-1"	"Acrylamide"	"DSSTox_20027"	""	"Chemical reactant (Polymers)"	"acrylamide"	NA	0	1	0	1
"C79098207"	"79098-20-7"	"4-Chloropentylbenzene"	"DSSTox_48206"	""	"Chemical reactant"	"phenyl halide alkyl"	"phenyl halide"	0	0	1	1
"C79141"	"79-14-1"	"Glycolic acid"	"DSSTox_25363"	""	"Chemical reactant"	"alcohol pri carboxylic acid"	"alcohol carboxylic acid"	0	0	1	1
"C79163"	"79-16-3"	"N-Methylacetamide"	"DSSTox_47167"	""	"Solvent/Pesticide"	"amide"	"amide"	0	1	0	1
"C79241466"	"79241-46-6"	"Fluazifop-P-butyl"	"DSSTox_34855"	"ACACA"	"Herbicide"	"phenyl-pyradine [O] alkoxy carboxylate halide"	NA	1	0	0	1
"C79243"	"79-24-3"	"Nitroethane"	"DSSTox_20969"	""	"Chemical reactant/Fuel additive/Explosives precursor"	"alkane nitrate"	NA	0	0	1	1
"C79277273"	"79277-27-3"	"Thifensulfuron-methyl"	"DSSTox_24124"	"ALS"	"Herbicide"	"metsulfuron-like"	NA	0	0	1	1
"C79390"	"79-39-0"	"Methacrylamide"	"DSSTox_29600"	""	"Chemical reactant (polymers)"	"acrylamide"	NA	0	1	0	1
"C79436"	"79-43-6"	"Dichloroacetic acid"	"DSSTox_20428"	""	"Chemical intermediate/Disinfectant"	"carboxylic acid halide"	"carboxylic acid"	0	1	0	1
"C79447"	"79-44-7"	"Dimethylcarbamoyl chloride"	"DSSTox_20512"	""	"Chemical reactant"	"amide halide"	"amide halide"	0	1	0	1
"C79538322"	"79538-32-2"	"Tefluthrin"	"DSSTox_32577"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C79572"	"79-57-2"	"Oxytetracycline"	"DSSTox_34260"	"Bacterial target"	"Pharmaceutical"	"tetracycline-like"	NA	0	0	1	1
"C79622596"	"79622-59-6"	"Fluazinam"	"DSSTox_32551"	"Unknown"	"Fungicide"	"phenyl-pyridine [urea] halide nitro fluoride"	NA	1	0	0	1
"C797637"	"797-63-7"	"Norgestrel"	"DSSTox_36496"	"PGR"	"Pharmaceutical"	"steroid P"	"steroid"	0	1	1	1
"C79902639"	"79902-63-9"	"Simvastatin"	"DSSTox_23581"	"HMGCR"	"Pharmaceutical"	"statin"	NA	0	1	0	1
"C79925"	"79-92-5"	"2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane"	"DSSTox_26488"	""	"Food additive/Flavor agent/Natural Product/Chemical intermediate"	"alkene cyclo"	"alkene"	0	0	1	1
"C79947"	"79-94-7"	"3,3',5,5'-Tetrabromobisphenol A"	"DSSTox_26081"	""	"Flame retardant"	"phenol-phenol [C] halide"	"phenol halide"	0	1	0	1
"C79958"	"79-95-8"	"2,2',6,6'-Tetrachlorobisphenol A"	"DSSTox_21770"	""	"Flame retardant"	"phenol-phenol [C] halide"	"phenol halide"	0	0	1	1
"C79983714"	"79983-71-4"	"Hexaconazole"	"DSSTox_34653"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C8000348"	"8000-34-8"	"Clove leaf oil"	"DSSTox_44175"	""	"Natural product"	"oil"	NA	0	1	1	1
"C8000417"	"8000-41-7"	"Terpineol"	"DSSTox_40775"	""	"cosmetic/flavor and fragrance agent"	"alcohol ter alkene cyclo"	"alcohol"	0	0	1	1
"C8001545"	"8001-54-5"	"Benzalkonium chloride"	"DSSTox_34317"	""	"Preservative/algaecide/cold sterilization"	"quaternary ammonium salt"	NA	0	0	1	1
"C8004920"	"8004-92-0"	"C.I. Acid Yellow 3 disodium salt"	"DSSTox_41721"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C80057"	"80-05-7"	"Bisphenol A"	"DSSTox_20182"	""	"Plastics"	"phenol-phenol [C]"	"phenol"	1	1	1	1
"C8006904"	"8006-90-4"	"Peppermint oil"	"DSSTox_21113"	""	"Natural product"	"alkane cyclo ketone carbxylate"	NA	0	0	1	1
"C8007703"	"8007-70-3"	"Anise oil"	"DSSTox_24528"	""	"Natural product"	"oil"	NA	0	0	1	1
"C80079"	"80-07-9"	"4,4'-Dichlorodiphenyl sulfone"	"DSSTox_24986"	""	"Chemical intermediate"	"phenyl-phenyl [SO2] halide"	NA	0	0	1	1
"C80080"	"80-08-0"	"Dapsone"	"DSSTox_20371"	"DHFR"	"Pharmaceutical"	"aniline-aniline [SO2]"	"aniline"	0	1	0	1
"C80091"	"80-09-1"	"4,4'-Sulfonyldiphenol"	"DSSTox_22409"	""	"Chemical reactant"	"phenol-phenol [SO2]"	"phenol"	0	0	1	1
"C80159"	"80-15-9"	"Cumene hydroperoxide"	"DSSTox_24869"	""	"Chemical reactant"	"phenyl peroxide"	NA	0	1	0	1
"C8018017"	"8018-01-7"	"Mancozeb"	"DSSTox_34695"	""	""	""	""	1	1	0	1
"C80262"	"80-26-2"	"alpha-Terpinyl acetate"	"DSSTox_26496"	""	"flavor and fragrance agent"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C80273"	"80-27-3"	"Terpinyl propionate"	"DSSTox_44833"	""	"flavor and fragrance agent"	"carboxylate ene"	"carboxylate"	0	0	1	1
"C80433"	"80-43-3"	"Dicumyl peroxide"	"DSSTox_25017"	""	"Chemical reactant"	"phenyl-phenyl [COOC]"	NA	0	1	0	1
"C80466"	"80-46-6"	"4-(2-Methylbutan-2-yl)phenol"	"DSSTox_21771"	""	"Chemical reactant"	"phenol alkyl"	"phenol"	0	1	0	1
"C80546"	"80-54-6"	"3-(4-tert-Butylphenyl)-2-methylpropanal"	"DSSTox_26500"	""	"Cosmetics/flavor and fragrance agent"	"phenyl aldehyde"	"aldehyde"	0	0	1	1
"C80568"	"80-56-8"	"alpha-Pinene"	"DSSTox_26501"	""	"Chemical reactant/Fragrance agent/Solvent"	"alkene cyclo"	"alkene"	0	0	1	1
"C80844071"	"80844-07-1"	"Etofenprox"	"DSSTox_32610"	"Ion channel Na"	"Insecticide"	"pyrethroid ether"	NA	0	1	0	1
"C81072"	"81-07-2"	"Saccharin"	"DSSTox_21251"	"Unknown"	"Sweetening Agents"	"phenyl isothiazole"	NA	0	0	1	1
"C81131706"	"81131-70-6"	"Pravastatin sodium"	"DSSTox_47525"	"HMGCR"	"Pharmaceutical"	"statin"	NA	0	1	0	1
"C81334341"	"81334-34-1"	"Imazapyr"	"DSSTox_34665"	"ALS"	"Herbicide"	"imidazolinone pyridine carboxylic acid"	NA	1	0	0	1
"C81335377"	"81335-37-7"	"Imazaquin"	"DSSTox_24152"	"ALS"	"Herbicide"	"imidazolinone pyridine carboxylic acid"	NA	1	0	0	1
"C81335775"	"81335-77-5"	"Imazethapyr"	"DSSTox_24287"	"ALS"	"Herbicide"	"imidazolinone pyridine carboxylic acid"	NA	1	0	0	1
"C81405858"	"81405-85-8"	"Imazmethabenz"	"DSSTox_32412"	"ALS"	"Herbicide"	"Pharma Class 4.306"	NA	0	0	1	1
"C81406373"	"81406-37-3"	"Fluroxypyr-meptyl"	"DSSTox_34303"	"Unknown"	"Herbicide"	"pyridine carboxylate halide amine"	NA	1	0	0	1
"C81741288"	"81741-28-8"	"Tributyltetradecylphosphonium chloride"	"DSSTox_34997"	""	"Mictobiocide"	"quaternary ammonium salt"	NA	0	0	1	1
"C81777891"	"81777-89-1"	"Clomazone"	"DSSTox_32355"	"Unknown"	"Herbicide"	"phenyl acetanilide chloro"	"phenyl acetanilide halide"	1	0	0	1
"C81812"	"81-81-2"	"Warfarin"	"DSSTox_23742"	"F2"	"Pharmaceutical"	"warfarin-like"	NA	0	1	0	1
"C818611"	"818-61-1"	"2-Hydroxyethyl acrylate"	"DSSTox_22123"	""	"imbed media/artificial nails"	"alcohol pri carboxylate"	"alcohol carboxylate"	0	0	1	1
"C81889"	"81-88-9"	"Rhodamine B"	"DSSTox_42369"	""	"Dye"	"aniline dye"	"aniline dye"	0	0	1	1
"C81903"	"81-90-3"	"Phenolphthalin"	"DSSTox_22439"	""	"Stains and dyes"	"phenol-phenol [C] phenyl carboxylic acid"	"phenol"	0	1	1	1
"C822060"	"822-06-0"	"1,6-Diisocyanatohexane"	"DSSTox_24143"	""	"Chemical reactant"	"isocyanate"	NA	0	1	0	1
"C82385420"	"82385-42-0"	"Sodium saccharin hydrate"	"DSSTox_21992"	""	"Food additive (Sweetener)"	"phenyl isothiazole"	NA	0	1	0	1
"C824395"	"824-39-5"	"Sodium 2-nitrophenolate"	"DSSTox_35616"	""	"Plant growth regulator"	"phenol nitro"	"phenol nitro"	0	0	1	1
"C82469792"	"82469-79-2"	"Butyryl trihexyl citrate"	"DSSTox_47535"	""	"Plasticizer"	"carboxylate multi"	"carboxylate"	0	1	0	1
"C824782"	"824-78-2"	"Sodium 4-nitrophenolate"	"DSSTox_27320"	""	"Plant growth regulator"	"phenol nitro"	"phenol nitro"	0	1	0	1
"C82558507"	"82558-50-7"	"Isoxaben"	"DSSTox_24159"	"Unknown"	"Herbicide"	"phenyl-oxazole [CON] alkoxy"	NA	1	0	0	1
"C82640048"	"82640-04-8"	"Raloxifene hydrochloride"	"DSSTox_34181"	"ESR1 ESR2"	"Pharmaceutical"	"phenol-phenol"	"phenol"	0	1	1	1
"C82657043"	"82657-04-3"	"Bifenthrin"	"DSSTox_20160"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	1	0	0	1
"C826620"	"826-62-0"	"3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione"	"DSSTox_47456"	""	"Food contact substance"	"phthalate anhydride"	"phthalate"	0	1	0	1
"C82688"	"82-68-8"	"Pentachloronitrobenzene"	"DSSTox_21105"	""	"Fungicide"	"phenyl nitro chloro"	"phenyl nitro chloro"	1	0	0	1
"C827190"	"827-19-0"	"Sodium 2,5-dimethylbenzenesulfonate"	"DSSTox_44578"	""	"Cleaner/degreaser"	"phenyl sulfuric acid"	NA	0	0	1	1
"C827214"	"827-21-4"	"Benzenesulfonic acid, 2,4-dimethyl-, sodium salt"	"DSSTox_41639"	""	"Hydrotrope (solubilizer)/not surfactant"	"phenyl sulfuric acid"	NA	0	0	1	1
"C828002"	"828-00-2"	"Dimethoxane"	"DSSTox_20480"	""	"Preservative/chemical additive"	"carboxylate ether"	NA	0	1	0	1
"C83329"	"83-32-9"	"Acenaphthene"	"DSSTox_21774"	""	"Chemical intermediate/coal tar component"	"PAH"	NA	0	1	0	1
"C83410"	"83-41-0"	"1,2-Dimethyl-3-nitrobenzene"	"DSSTox_25132"	""	"Chemical reagent"	"phenyl nitro"	"phenyl nitro"	0	1	0	1
"C834128"	"834-12-8"	"Ametryn"	"DSSTox_23869"	"Unknown"	"Herbicide"	"triazine amine sulfide"	NA	1	0	0	1
"C83657243"	"83657-24-3"	"Diniconazole"	"DSSTox_40363"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C83670"	"83-67-0"	"Theobromine"	"DSSTox_26132"	"PDEx (?) [ PDE3 PDE4 PDE5 ]"	"Natural product/Pharmaceutical"	"caffeine-like"	NA	0	1	0	1
"C83794"	"83-79-4"	"Rotenone"	"DSSTox_21248"	"Mitochondria"	"Insecticide"	"Class 4.247"	NA	1	0	0	1
"C83834597"	"83834-59-7"	"2-Ethylhexyl trans-4-methoxycinnamate"	"DSSTox_47205"	""	"Sunscreen"	"phenyl carboxylate alkoxy"	"phenyl carboxylate"	0	0	1	1
"C83885"	"83-88-5"	"Riboflavin"	"DSSTox_21777"	"Unknown"	"Vitamin"	"flavin"	NA	0	0	1	1
"C838857"	"838-85-7"	"Diphenyl phosphate"	"DSSTox_48207"	""	"Chemical intermediate"	"phenyl phosphate"	NA	0	0	1	1
"C838880"	"838-88-0"	"4,4'-Methylenebis(2-methylaniline)"	"DSSTox_20867"	""	"Dye precursor"	"aniline-aniline [C]"	"aniline"	0	1	0	1
"C84087014"	"84087-01-4"	"Quinclorac"	"DSSTox_32641"	"Unknown"	"Herbicide"	"quinoline carboxylic acid halide"	NA	1	0	0	1
"C84162"	"84-16-2"	"meso-Hexestrol"	"DSSTox_22381"	"ESR1"	"Pharmaceutical"	"phenol-phenol [CC]"	"phenol"	0	1	1	1
"C842079"	"842-07-9"	"C.I. Solvent Yellow 14"	"DSSTox_21135"	""	"Dye"	"phenyl-naphthalene [NN] alcohol"	NA	0	1	0	1
"C84371653"	"84371-65-3"	"Mifepristone"	"DSSTox_23322"	"NR3C1"	"Pharmaceutical"	"steroid P"	"steroid"	0	1	1	1
"C84617"	"84-61-7"	"Dicyclohexyl phthalate"	"DSSTox_25021"	""	"Plastics"	"phthalate"	"phthalate"	0	0	1	1
"C84662"	"84-66-2"	"Diethyl phthalate"	"DSSTox_21780"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C84695"	"84-69-5"	"Diisobutyl phthalate"	"DSSTox_22522"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C84742"	"84-74-2"	"Dibutyl phthalate"	"DSSTox_21781"	""	"Plastics"	"phthalate"	"phthalate"	1	0	1	1
"C84753"	"84-75-3"	"Dihexyl phthalate"	"DSSTox_25068"	""	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C84852153"	"84852-15-3"	"4-Nonylphenol, branched"	"DSSTox_29055"	"ESR1 ESR2"	"Industrial Precursor (detergents)"	"phenol alkyl"	"phenol"	0	1	1	1
"C85018"	"85-01-8"	"Phenanthrene"	"DSSTox_24254"	"TRPM4"	"Pharmaceutical"	"PAH"	NA	0	1	0	1
"C851916422"	"851916-42-2"	"MK-812"	"DSSTox_47335"	"CCR2"	"Pharmaceutical"	"Pharma Class 4.205"	NA	0	1	0	1
"C85264331"	"85264-33-1"	"(3,5-Dimethyl-1H-pyrazol-1-yl)methanol"	"DSSTox_32513"	""	"Microbiocide"	"pyrazole alcohol pri"	NA	0	0	1	1
"C85405"	"85-40-5"	"1,2,3,6-Tetrahydrophthalimide"	"DSSTox_26513"	""	"Fungicide"	"phthalimide"	NA	0	0	1	1
"C85416"	"85-41-6"	"Phthalimide"	"DSSTox_26514"	""	"Chemical reactant/fungicide"	"phthalimide"	NA	0	0	1	1
"C85507795"	"85507-79-5"	"Phthalic acid, diundecyl ester, branched and linear"	"DSSTox_29565"	""	"Plastics"	"phthalate"	"phthalate"	0	0	1	1
"C85509199"	"85509-19-9"	"Flusilazole"	"DSSTox_24235"	"Unknown"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C85532758"	"85532-75-8"	"PK 11195"	"DSSTox_41097"	"TSPO"	"Pharmaceutical (Mutagen)"	"phenyl halide pyrimidine"	NA	0	1	0	1
"C85687"	"85-68-7"	"Butyl benzyl phthalate"	"DSSTox_20205"	"ESR1"	"Plastics"	"phthalate"	"phthalate"	0	1	0	1
"C860220"	"860-22-0"	"C.I. Acid Blue 74"	"DSSTox_20190"	""	"Dye"	"phenyl sulfuric acid dye"	NA	0	0	1	1
"C862243296"	"862243-29-6"	"AVE9423"	"DSSTox_47375"	"PYGM"	"Pharmaceutical"	"phenyl halide benzoic acid"	NA	0	1	0	1
"C86306"	"86-30-6"	"N-Nitrosodiphenylamine"	"DSSTox_21030"	""	"Industrial raw material"	"phenyl-phenyl [N] nitro"	NA	0	1	0	1
"C86386734"	"86386-73-4"	"Fluconazole"	"DSSTox_20627"	"CYP51A1"	"Fungicide; primarily pharmaceutical"	"conazole"	"conazole"	0	1	0	1
"C864283487"	"864283-48-7"	"GSK232420A"	"DSSTox_47312"	"AR"	"Pharmaceutical"	"flutamide-like"	NA	0	1	0	1
"C86479063"	"86479-06-3"	"Hexaflumuron"	"DSSTox_32620"	"Unknown"	"Insecticide"	"phenyl phenylurea perfluoro"	NA	0	1	0	1
"C86500"	"86-50-0"	"Azinphos-methyl"	"DSSTox_20122"	"ACHE"	"Insecticide"	"benztriazineone thiophosphate halide"	NA	1	0	0	1
"C86737"	"86-73-7"	"Fluorene"	"DSSTox_24105"	""	"Chemical reactant"	"PAH"	NA	0	1	0	1
"C86873"	"86-87-3"	"1-Naphthaleneacetic acid"	"DSSTox_20915"	""	"Plant growth regulator"	"naphthalene carboxylic acid"	NA	0	0	1	1
"C868859"	"868-85-9"	"Dimethyl hydrogen phosphite"	"DSSTox_20493"	""	"Chemical reactant/chemical additive"	"phosphate alkyl"	NA	0	0	1	1
"C87014"	"87-01-4"	"7-(Dimethylamino)-4-methylcoumarin"	"DSSTox_41422"	""	"Chemical intermediate (Drugs)"	"coumarin-like"	NA	0	0	1	1
"C87183"	"87-18-3"	"4-tert-Butylphenyl salicylate"	"DSSTox_37745"	""	"indirect food additives: adhesives and components of coatings"	"salicylate"	"phenol"	0	0	1	1
"C87241"	"87-24-1"	"Ethyl 2-methylbenzoate"	"DSSTox_40711"	""	"Chemical intermediate"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C872504"	"872-50-4"	"N-Methyl-2-pyrrolidone"	"DSSTox_20856"	""	"Solvent"	"pyrrolidone"	NA	0	1	0	1
"C87252"	"87-25-2"	"Ethyl anthranilate"	"DSSTox_25272"	""	"flavor and fragrance agent/Natural product"	"aniline carboxylate"	NA	0	0	1	1
"C87392129"	"87392-12-9"	"S-Metolachlor"	"DSSTox_32431"	"Unknown"	"Herbicide"	"phenyl amide chloro ether"	"phenyl acetanilide halide"	0	0	1	1
"C87546187"	"87546-18-7"	"Flumiclorac-pentyl"	"DSSTox_32554"	"Unknown"	"Herbicide"	"Pharma Class 4.43"	NA	1	0	0	1
"C87616"	"87-61-6"	"1,2,3-Trichlorobenzene"	"DSSTox_26193"	""	"Chemical intermediate/Solvent"	"phenyl halide"	"phenyl halide"	0	1	0	1
"C87627"	"87-62-7"	"2,6-Dimethylaniline"	"DSSTox_26307"	""	"Chemical intermediate/Breakdown product of aniline pesticides and drugs"	"aniline"	"aniline"	0	1	0	1
"C87674688"	"87674-68-8"	"Dimethenamid"	"DSSTox_32376"	"Unknown"	"Herbicide"	"conazole (imidazoles)"	"conazole"	1	0	0	1
"C87683"	"87-68-3"	"Hexachloro-1,3-butadiene"	"DSSTox_20683"	""	"Solvent/Fumigant (Europe)/process by-product"	"alkene chloride"	NA	0	0	1	1
"C87694"	"87-69-4"	"L-Tartaric acid"	"DSSTox_23632"	""	"Anti-oxicant/flavor agent/natural product"	"alcohol-2 carboxylic acid di"	"alcohol carboxylic acid"	0	1	0	1
"C877247"	"877-24-7"	"Monopotassium phthalate"	"DSSTox_42167"	""	"buffer/standard"	"phenyl carboxylic acid di"	"phenyl carboxylic acid"	0	0	1	1
"C87818313"	"87818-31-3"	"Cinmethylin"	"DSSTox_34456"	"Unknown"	"Herbicide"	"phenyl ether"	NA	1	0	0	1
"C87820880"	"87820-88-0"	"Tralkoxydim"	"DSSTox_34973"	"ACACA"	"Herbicide"	"cyclohexene oxime"	NA	1	0	0	1
"C87865"	"87-86-5"	"Pentachlorophenol"	"DSSTox_21106"	""	"Wood preservative (previously)"	"phenol halide"	"phenol halide"	0	1	0	1
"C87901"	"87-90-1"	"Symclosene"	"DSSTox_26523"	"Unknown"	"Herbicide"	"triazinone"	NA	1	0	0	1
"C88040"	"88-04-0"	"4-Chloro-3,5-dimethylphenol"	"DSSTox_32316"	""	"Biocide"	"phenol halide"	"phenol halide"	0	0	1	1
"C88062"	"88-06-2"	"2,4,6-Trichlorophenol"	"DSSTox_21386"	""	"Herbicide/fungicide/chemical reactant"	"phenol halide"	"phenol halide"	0	1	0	1
"C88120"	"88-12-0"	"N-Vinyl-2-pyrrolidone"	"DSSTox_21440"	""	"Chemical reactant (polymers)"	"pyrrolidone"	"http://hazmap.nlm.nih.gov/category-details?id=1362&table=copytblagents"	0	1	0	1
"C88186"	"88-18-6"	"2-tert-Butylphenol"	"DSSTox_26525"	""	"Chemical intermediate/antioxidant"	"phenol alkyl"	"phenol"	0	1	0	1
"C88244"	"88-24-4"	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	"DSSTox_38864"	""	"Antioxidant"	"phenol-phenol [C]"	"phenol"	0	0	1	1
"C88302"	"88-30-2"	"3-Trifluoromethyl-4-nitrophenol"	"DSSTox_21788"	""	"Restricted use pesticide (sea lamprey)"	"phenol nitro fluoro"	"phenol nitro"	0	0	1	1
"C88415"	"88-41-5"	"2-tert-Butylcyclohexyl acetate"	"DSSTox_36105"	""	"Fragrance agent/Solvent"	"carboxylate"	"carboxylate"	0	0	1	1
"C88584"	"88-58-4"	"2,5-Di-tert-butylbenzene-1,4-diol"	"DSSTox_41248"	""	"Antioxidant (indirect food use)"	"phenol alkyl"	"phenol"	0	1	0	1
"C88608"	"88-60-8"	"2-tert-Butyl-5-methylphenol"	"DSSTox_26529"	""	"Chemical reagent/Antioxidant"	"phenol alkyl"	"phenol"	0	1	0	1
"C88671890"	"88671-89-0"	"Myclobutanil"	"DSSTox_24315"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C88697"	"88-69-7"	"2-Isopropylphenol"	"DSSTox_44391"	""	"flavor and fragrance agent"	"phenol alkyl"	"phenol"	0	0	1	1
"C88722"	"88-72-2"	"2-Nitrotoluene"	"DSSTox_25791"	""	"Chemical reactant"	"phenyl nitro"	"phenyl nitro"	0	1	0	1
"C88744"	"88-74-4"	"2-Nitroaniline"	"DSSTox_25726"	""	"Chemical reactant"	"aniline nitro"	NA	0	0	1	1
"C88755"	"88-75-5"	"2-Nitrophenol"	"DSSTox_21790"	""	"Chemical reactant"	"phenol nitro"	"phenol nitro"	0	0	1	1
"C88857"	"88-85-7"	"Dinoseb"	"DSSTox_20207"	"Unknown"	"Herbicide"	"phenol nitro di"	"phenol nitro"	0	1	0	1
"C89043"	"89-04-3"	"Trioctyl trimellitate"	"DSSTox_47533"	""	"Plasticizer"	"phthalate tri"	"phthalate"	0	1	0	1
"C89714"	"89-71-4"	"Methyl 2-methylbenzoate"	"DSSTox_48208"	""	"Chemical intermediate"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C89725"	"89-72-5"	"2-(Butan-2-yl)phenol"	"DSSTox_22331"	""	"Chemical intermediate"	"phenol alkyl"	"phenol"	0	1	0	1
"C89781"	"89-78-1"	"dl-Menthol"	"DSSTox_20805"	""	"flavor and fragrance agent/Natural product/herbal remedy"	"alcohol sec alkane cyclo"	"alcohol"	0	0	1	1
"C89838"	"89-83-8"	"Thymol"	"DSSTox_34972"	""	"Essential oil/Flavoring agent"	"phenol alkyl"	"phenol"	0	1	0	1
"C89872"	"89-87-2"	"1,3-Dimethyl-4-nitrobenzene"	"DSSTox_25135"	""	"Chemical intermediate"	"phenyl nitro"	"phenyl nitro"	0	0	1	1
"C90006"	"90-00-6"	"2-Ethylphenol"	"DSSTox_22479"	""	"Chemical reactant"	"phenol alkyl"	"phenol"	0	0	1	1
"C90028"	"90-02-8"	"Salicylaldehyde"	"DSSTox_21792"	""	"flavor and fragrance agent/Natural product/chemical reactant"	"phenol aldehyde"	NA	0	0	1	1
"C9003116"	"9003-11-6"	"Pluronic F-127"	"DSSTox_47597"	""	"Surfactant/food additive"	"epoxide"	NA	0	0	1	1
"C90040"	"90-04-0"	"2-Anisidine"	"DSSTox_23877"	""	"Chemical reactant"	"aniline alkoxy"	NA	0	1	0	1
"C9004824"	"9004-82-4"	"Sodium lauryl polyoxyethylene ether sulfate"	"DSSTox_29298"	""	"Surfactant"	"sulfuric acid alkyl"	"sulfuric acid alkyl"	0	0	1	1
"C9004960"	"9004-96-0"	"Polyoxyethylene monoleate"	"DSSTox_27713"	""	"Emulsifier"	"alcohol pri carboxylate ene"	"alcohol carboxylate"	0	0	1	1
"C90051"	"90-05-1"	"2-Methoxyphenol"	"DSSTox_23113"	""	"Antioxidant/Flavor agent/Natural product/Chemical intermediate"	"phenol alkoxy"	"phenol alkoxy"	0	0	1	1
"C9005656"	"9005-65-6"	"Polysorbate 80"	"DSSTox_21175"	""	"Emulsifier"	"sorbitan-like"	NA	0	0	1	1
"C90120"	"90-12-0"	"1-Methylnaphthalene"	"DSSTox_20877"	""	"Chemical reactant/Solvent/Coal tar product"	"napthalene"	NA	0	1	0	1
"C90153"	"90-15-3"	"1-Naphthol"	"DSSTox_21793"	""	"Chemical reactant/Pyrotechnics"	"naphthalene alcohol"	"PAH-ol"	0	0	1	1
"C9016006"	"9016-00-6"	"Polydimethylsiloxane"	"DSSTox_23833"	""	"Lubricant/de-foamer"	"silicate"	"silicate"	0	0	1	1
"C9016879"	"9016-87-9"	"Isocyanic acid, polymethylenepolyphenylene ester"	"DSSTox_47473"	""	"Binder/chemical reactant"	"phenyl-phenyl [C] isocynate"	NA	0	0	1	1
"C90302"	"90-30-2"	"N-Phenyl-1-naphthylamine"	"DSSTox_25892"	""	"Stabilizer/Anti-oxidant/Chemical intermediate"	"phenyl-naphthalene [N]"	NA	0	0	1	1
"C90357065"	"90357-06-5"	"Bicalutamide"	"DSSTox_22678"	"AR"	"Pharmaceutical"	"flutamide-like"	NA	0	0	1	1
"C90437"	"90-43-7"	"2-Phenylphenol"	"DSSTox_21151"	""	"Germicide/Fungicide"	"phenol-phenylphenol-2"	"phenol"	1	0	0	1
"C90722"	"90-72-2"	"2,4,6-Tris(dimethylaminomethyl)phenol"	"DSSTox_26548"	""	"inert ingredient in non-food pesticide products/Adhesive/Catalyst"	"phenol amine"	"phenol amine"	0	0	1	1
"C90823384"	"90823-38-4"	"Denatonium saccharide"	"DSSTox_34361"	""	"Repellent"	"quaternary ammonium salt"	NA	0	0	1	1
"C90948"	"90-94-8"	"Michler's ketone"	"DSSTox_20894"	""	"Industrial intermediate (dyes)"	"phenyl-phenyl [CO] amine"	NA	0	1	0	1
"C91082176"	"91082-17-6"	"C10-21 sulfonic acids phenyl esters"	"DSSTox_47526"	""	"Plasticizer/food contact"	"phenyl sulfate"	NA	0	1	0	1
"C91203"	"91-20-3"	"Naphthalene"	"DSSTox_20913"	""	"Chemical intermediate/Coal tar product/Moth repellent/Combustion product"	"PAH"	NA	0	1	0	1
"C91225"	"91-22-5"	"Quinoline"	"DSSTox_21798"	""	"Chemical reactant/Solvent/Preservative"	"quinoline"	NA	0	1	0	1
"C91465086"	"91465-08-6"	"lambda-Cyhalothrin"	"DSSTox_32559"	"Ion channel Na"	"Insecticide"	"pyrethroid ester"	NA	0	0	1	1
"C91532"	"91-53-2"	"Ethoxyquin"	"DSSTox_20582"	""	"Antioxidant (added to food and feed)/Preservative"	"quinoline alkoxy"	NA	0	1	0	1
"C91598"	"91-59-8"	"2-Naphthylamine"	"DSSTox_20921"	""	"No use today/Previously for research, chemical reactant/Restricted"	"naphthalene amine"	NA	0	1	0	1
"C91623"	"91-62-3"	"6-Methylquinoline"	"DSSTox_20887"	""	"flavor and fragrance agent"	"quinoline"	NA	0	1	0	1
"C91645"	"91-64-5"	"Coumarin"	"DSSTox_20348"	""	"Natural product/fragrance agent/banned in food"	"coumarin-like"	NA	0	1	0	1
"C91667"	"91-66-7"	"N,N-Diethylaniline"	"DSSTox_21800"	""	"Chemical reactant"	"aniline alkylate"	"aniline alkylate"	0	1	0	1
"C919302"	"919-30-2"	"3-Aminopropyltriethoxysilane"	"DSSTox_27333"	""	"Chemical reactant/Sizing"	"silicate amine pri"	"silicate"	0	0	1	1
"C92046"	"92-04-6"	"2-Chloro-4-phenylphenol"	"DSSTox_22353"	""	"Cancelled disinfectant and antimicrobial uses"	"phenol-phenyl halide"	"phenol"	0	0	1	1
"C924163"	"924-16-3"	"N-Nitrosodibutylamine"	"DSSTox_21026"	""	"Research chemical"	"nitrosoamine"	NA	0	1	0	1
"C92524"	"92-52-4"	"Biphenyl"	"DSSTox_20161"	""	"Chemical intermediate/Fungicide"	"phenyl-phenyl"	"phenyl"	0	1	0	1
"C92682"	"92-68-2"	"4-Cyclohexylcyclohexanone"	"DSSTox_40721"	""	"Cosmetic and fragrance agent"	"ketone cycloalkyl"	"ketone"	0	1	1	1
"C92693"	"92-69-3"	"4-Phenylphenol"	"DSSTox_21152"	""	"Chemical reactant"	"phenol-phenylphenol-2"	"phenol"	0	0	1	1
"C92842"	"92-84-2"	"Phenothiazine"	"DSSTox_21126"	""	"Chemical reactant (drugs)"	"phenyl-phenyl [N:S]"	"phenyl"	0	1	0	1
"C92875"	"92-87-5"	"Benzidine"	"DSSTox_20137"	""	"Captive consumption only/Restricted"	"aniline-aniline"	"aniline"	0	1	0	1
"C928961"	"928-96-1"	"(Z)-3-Hexen-1-ol"	"DSSTox_22137"	""	"flavor and fragrance agent"	"alcohol pri ene"	"alcohol"	0	0	1	1
"C929601092"	"929601-09-2"	"SR58611"	"DSSTox_47360"	"ADRB3"	"Pharmaceutical"	"Pharma Class 4.306"	NA	0	1	0	1
"C930552"	"930-55-2"	"N-Nitrosopyrrolidine"	"DSSTox_21062"	""	"Research chemical/natural product"	"pyrrolidine"	NA	0	0	1	1
"C93083"	"93-08-3"	"2'-Acetonaphthone"	"DSSTox_41389"	""	"flavoring agent or adjuvant (food)"	"naphthalene ketone"	NA	0	0	1	1
"C93152"	"93-15-2"	"Methyleugenol"	"DSSTox_25607"	""	"anesthetic (vet.)/insect attractant/flavor and fragrance agent"	"phenol ethoxylate alkyl"	NA	0	1	0	1
"C93561"	"93-56-1"	"Styrene glycol"	"DSSTox_42422"	""	"Metabolite of styrene"	"phenyl alcohol"	"alcohol"	0	0	1	1
"C93652"	"93-65-2"	"Mecoprop"	"DSSTox_24194"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C93765"	"93-76-5"	"2,4,5-Trichlorophenoxyacetic acid"	"DSSTox_21388"	""	"Herbicide (not produced in US)"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C938169"	"938-16-9"	"tert-Butyl phenyl ketone"	"DSSTox_48209"	""	"Unknown"	"phenyl ketone"	NA	0	0	1	1
"C93890"	"93-89-0"	"Ethyl benzoate"	"DSSTox_38696"	""	"flavor and fragrance agent/Solvent"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C93925"	"93-92-5"	"Benzenemethanol, alpha-methyl-, acetate"	"DSSTox_41636"	""	"flavor and fragrance agent"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C93992"	"93-99-2"	"Phenyl benzoate"	"DSSTox_48210"	""	"Preservative"	"phenyl-phenyl [OCO]"	"phenyl"	0	0	1	1
"C94086"	"94-08-6"	"Ethyl 4-methylbenzoate"	"DSSTox_48211"	""	"Chemical intermediate"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C94097"	"94-09-7"	"Benzocaine"	"DSSTox_21804"	"Ion channel Na"	"Pharmaceutical"	"aniline carboxylate"	NA	0	0	1	1
"C94133"	"94-13-3"	"Propylparaben"	"DSSTox_22527"	""	"Microbicide"	"paraben"	"phenol"	0	1	0	1
"C941695"	"941-69-5"	"1-Phenyl-1H-pyrrole-2,5-dione"	"DSSTox_41274"	""	"Chemical intermediate and additive"	"phenyl maleimide"	NA	0	0	1	1
"C94188"	"94-18-8"	"Benzylparaben"	"DSSTox_22526"	""	"Microbicide"	"paraben"	"phenol"	0	0	1	1
"C94268"	"94-26-8"	"Butylparaben"	"DSSTox_20209"	""	"Microbicide"	"paraben"	"http://www.pesticideinfo.org/List_Chemicals.jsp?ChemUseList=Microbiocide&dUseList=y&dDPR_Chem_Code=y&dEPA_PCCode=y&dCAS_No=y&dClassList=y&ChemRegList=&ChemUseList=&dS_BA=y&dEPA_Reg=y&offset=300"	0	1	1	1
"C94280"	"94-28-0"	"Triethylene glycol bis(2-ethylhexanoate)"	"DSSTox_26564"	""	"Solvent/Plasticizer"	"carboxylate di alkoxy"	NA	0	1	0	1
"C94361065"	"94361-06-5"	"Cyproconazole"	"DSSTox_32601"	"Sterol synthesis"	"Fungicide"	"conazole (triazoles)"	"conazole"	1	0	0	1
"C94462"	"94-46-2"	"Isopentyl benzoate"	"DSSTox_47185"	""	"flavor and fragrance agent"	"phenyl carboxylate"	"phenyl carboxylate"	0	0	1	1
"C94473"	"94-47-3"	"2-Phenylethyl benzoate"	"DSSTox_47590"	""	"Cosmetic/flavor and fragrance agent"	"phenyl-phenyl [C] carboxylic acid"	NA	0	0	1	1
"C94597"	"94-59-7"	"Safrole"	"DSSTox_21254"	""	"Fragrance/preservative/natural product"	"phenol ethoxylate ene"	NA	0	1	0	1
"C94600"	"94-60-0"	"Dimethyl hexahydroterephthalate"	"DSSTox_26566"	""	"chemical reactant (plasticizers and polymers)"	"carboxylate di"	"carboxylate"	0	0	1	1
"C94713"	"94-71-3"	"2-Ethoxyphenol"	"DSSTox_42276"	""	"Chemical intermediate"	"phenol alkoxy"	"phenol alkoxy"	0	0	1	1
"C94746"	"94-74-6"	"MCPA"	"DSSTox_24195"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	1	0	0	1
"C94757"	"94-75-7"	"2,4-Dichlorophenoxyacetic acid"	"DSSTox_20442"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	1	0	0	1
"C94804"	"94-80-4"	"2,4-D 1-butyl ester "	"DSSTox_20443"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C94815"	"94-81-5"	"MCPB"	"DSSTox_24193"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	0	0	1	1
"C94826"	"94-82-6"	"2,4-DB"	"DSSTox_24035"	"Unknown"	"Herbicide"	"phenol ethoxylate carboxylic acid halide"	NA	1	0	0	1
"C94917"	"94-91-7"	"N,N'-Disalicylidene-1,2-diaminopropane"	"DSSTox_41200"	""	"Chemical additive (chelator)"	"phenol-phenol [CNn]"	"phenol"	0	0	1	1
"C94962"	"94-96-2"	"2-Ethyl-1,3-hexanediol"	"DSSTox_25292"	""	"Solvent/Plasticizer/Chemical intermediate"	"alcohol-2"	"alcohol"	0	0	1	1
"C950378"	"950-37-8"	"Methidathion"	"DSSTox_20819"	"ACHE"	"Insecticide"	"thiadiazole thiophosphate"	NA	1	0	0	1
"C95136"	"95-13-6"	"Indene"	"DSSTox_42052"	""	"Chemical reactant (resins)"	"PAH"	NA	0	0	1	1
"C95147"	"95-14-7"	"1,2,3-Benzotriazole"	"DSSTox_20147"	""	"Anti-corrosion agent/Chemical intermediate"	"benzotriazole"	NA	0	1	1	1
"C95169"	"95-16-9"	"Benzothiazole"	"DSSTox_24586"	""	"Flavor agent/Antimicrobe/chemical reactant"	"benzothiazole"	NA	0	0	1	1
"C95266403"	"95266-40-3"	"Trinexapac-ethyl"	"DSSTox_32535"	""	"Herbicide/Plant growth regulator"	"alcohol tert ketone carboxylate"	NA	0	0	1	1
"C95385"	"95-38-5"	"1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-"	"DSSTox_36112"	"CCKAR"	"Additive (Inert pesticide ingredient)"	"alcohol pri ene cycloamine"	"alcohol amine"	0	0	1	1
"C95487"	"95-48-7"	"o-Cresol"	"DSSTox_21808"	""	"Chemical reactant/Solvant"	"phenol alkyl"	"phenol"	0	1	0	1
"C95498"	"95-49-8"	"2-Chlorotoluene"	"DSSTox_23977"	""	"Solvent/Chemical intermediate"	"phenyl halide alkyl"	"phenyl halide"	0	1	0	1
"C95501"	"95-50-1"	"1,2-Dichlorobenzene"	"DSSTox_20430"	""	"Chemical intermediate/Solvent"	"phenyl halide"	"phenyl halide"	0	1	0	1
"C95534"	"95-53-4"	"2-Methylaniline"	"DSSTox_26164"	""	"Chemical intermediate"	"aniline"	"aniline"	0	1	0	1
"C95545"	"95-54-5"	"1,2-Phenylenediamine"	"DSSTox_25881"	""	"Chemical intermediate"	"aniline"	"aniline"	0	1	0	1
"C95578"	"95-57-8"	"2-Chlorophenol"	"DSSTox_21544"	""	"Chemical intermediate/Disinfectant"	"phenol halide"	"phenol halide"	0	1	0	1
"C95636"	"95-63-6"	"1,2,4-Trimethylbenzene"	"DSSTox_21402"	""	"Solvent/Sterilizing agent"	"phenyl alkyl"	"phenyl"	0	1	0	1
"C95658"	"95-65-8"	"3,4-Dimethylphenol"	"DSSTox_24062"	""	"Chemical reactant/flavoring aagent"	"phenol alkyl"	""	0	1	0	1
"C95737681"	"95737-68-1"	"Pyriproxyfen"	"DSSTox_32640"	"Unknown"	"Insecticide"	"phenyl-phenyl [O] alkoxy pyridine"	NA	1	0	0	1
"C95749"	"95-74-9"	"3-Chloro-4-methylaniline"	"DSSTox_20286"	""	"Bird control/chemical reagent"	"aniline chloride"	""	0	0	1	1
"C957517"	"957-51-7"	"Diphenamid"	"DSSTox_24072"	"Unknown"	"Herbicide"	"phenyl-phenyl [C] amide"	NA	0	0	1	1
"C95761"	"95-76-1"	"3,4-Dichloroaniline"	"DSSTox_21815"	""	"Chemical reactant"	"aniline chloride"	""	0	0	1	1
"C95807"	"95-80-7"	"2,4-Diaminotoluene"	"DSSTox_20402"	""	"Chemical intermediate"	"aniline"	""	0	1	0	1
"C95830"	"95-83-0"	"4-Chloro-1,2-diaminobenzene"	"DSSTox_20283"	""	"Chemical intermediate/dye additive"	"aniline chloride"	""	0	1	0	1
"C95874"	"95-87-4"	"2,5-Dimethylphenol"	"DSSTox_25145"	""	"Chemical reactant/anti-oxidant"	"phenol alkyl"	""	0	1	0	1
"C95932"	"95-93-2"	"1,2,4,5-Tetramethylbenzene"	"DSSTox_29124"	""	"Coal tar compound"	"phenyl alkyl"	""	0	0	1	1
"C95943"	"95-94-3"	"1,2,4,5-Tetrachlorobenzene"	"DSSTox_24320"	""	"Chemical reactant"	"phenyl halide"	""	0	1	0	1
"C95954"	"95-95-4"	"2,4,5-Trichlorophenol"	"DSSTox_24359"	""	"Fungicide"	"phenol halide"	"phenol halide"	0	1	0	1
"C959988"	"959-98-8"	"Endosulfan I"	"DSSTox_37539"	"GABAR1"	"Insecticide"	"polychloro-bicycle"	"polychloro-bicycle"	0	0	1	1
"C960714"	"960-71-4"	"Triphenylborane"	"DSSTox_27345"	""	"Chemical intermediate"	"triphenyl [B]"	""	0	0	1	1
"C96093"	"96-09-3"	"Styrene oxide"	"DSSTox_21286"	""	"Chemical reactant/chemical additive"	"phenyl epoxide"	""	0	1	0	1
"C96182535"	"96182-53-5"	"Tebupirimfos"	"DSSTox_32482"	"ACHE"	"Insecticide"	"pyrimidine thiophosphate"	NA	1	0	0	1
"C96184"	"96-18-4"	"1,2,3-Trichloropropane"	"DSSTox_21390"	""	"Curing agent/Chemical intermediate"	"alkane halide"	""	0	1	1	1
"C96231"	"96-23-1"	"1,3-Dichloro-2-propanol"	"DSSTox_25010"	""	"Solvent/chemical intermediate"	"alcohol sec halide"	""	0	1	0	1
"C96242"	"96-24-2"	"3-Chloro-1,2-propanediol"	"DSSTox_20664"	""	"Chemosterilant/Solvent"	"alcohol-2 halide"	""	0	0	1	1
"C962583"	"962-58-3"	"Diazoxon"	"DSSTox_37523"	"ACHE"	"Degradate of Diazinon ( CASRN 333-41-5)"	"diazine phosphate"	NA	1	0	0	1
"C96297"	"96-29-7"	"2-Butanone oxime"	"DSSTox_21821"	""	"Chemical additive/corrosion inhibitor"	"oxime"	""	0	1	0	1
"C96413"	"96-41-3"	"Cyclopentanol"	"DSSTox_33371"	""	"Solvent/Chemical reactant"	"alcohol sec alkane cyclo"	""	0	0	1	1
"C96457"	"96-45-7"	"Ethylene thiourea"	"DSSTox_20601"	""	"Rubber accelerator/chemical reactant"	"thiourea"	""	1	0	0	1
"C96480"	"96-48-0"	"4-Butyrolactone"	"DSSTox_20224"	""	"Chemical intermediate/Nematicide/Solvent"	"lactone"	""	0	1	0	1
"C96489713"	"96489-71-3"	"Pyridaben"	"DSSTox_32573"	"Mitochondria"	"Insecticide"	"diazine phenyl sulfide halide ketone"	NA	1	0	0	1
"C96708"	"96-70-8"	"2-tert-Butyl-4-ethylphenol"	"DSSTox_44581"	""	"Chemical intermediate/Nematicide/Solvent"	"phenol alkyl"	""	0	1	0	1
"C96764"	"96-76-4"	"2,4-Di-tert-butylphenol"	"DSSTox_26602"	""	"Antioxidant"	"phenol alkyl"	"phenol"	0	1	0	1
"C96833"	"96-83-3"	"Iopanoic acid"	"DSSTox_23159"	""	"Medical use"	"aniline carboxylic acid halide"	NA	0	0	1	1
"C97007"	"97-00-7"	"1-Chloro-2,4-dinitrobenzene"	"DSSTox_20278"	""	"Chemical reagent/algaecide/drug use"	"phenyl nitro di chloro"	"phenyl nitro chloro"	0	0	1	1
"C97234"	"97-23-4"	"Dichlorophen"	"DSSTox_21824"	"Unknown"	"Fungicide"	"phenol-phenol [C] halide"	"phenol halide"	0	0	1	1
"C97322877"	"97322-87-7"	"Troglitazone"	"DSSTox_23719"	"PPARG"	"Pharmaceutical"	"Pharma Class 3.557"	NA	0	1	0	1
"C97529"	"97-52-9"	"2-Methoxy-4-nitroaniline"	"DSSTox_38700"	""	"Chemical intermediate/dye use"	"aniline nitro alkoxy"	NA	0	0	1	1
"C97530"	"97-53-0"	"Eugenol"	"DSSTox_20617"	""	"Natural product"	"phenol alkoxy"	"phenol alkoxy"	0	1	0	1
"C97541"	"97-54-1"	"Isoeugenol"	"DSSTox_22413"	""	"Natural product"	"phenol alkoxy"	"phenol alkoxy"	0	1	0	1
"C97563"	"97-56-3"	"2-Amino-5-azotoluene"	"DSSTox_20069"	""	"Chemical intermediate/dye use"	"aniline-phenyl [NN]"	"aniline"	0	1	0	1
"C97596"	"97-59-6"	"Allantoin"	"DSSTox_20043"	""	"Nataural product/drug use/chemical reactant"	"hydantoin"	NA	0	0	1	1
"C97778"	"97-77-8"	"Disulfiram"	"DSSTox_21322"	"ALDH1A1 ALDH2 ALDH1B1 ALDH5"	"Fungicide; primarily pharmaceutical"	"thiocarbamate"	"carbamate"	0	1	0	1
"C97789"	"97-78-9"	"N-Dodecanoyl-N-methylglycine"	"DSSTox_42011"	""	"Cosmetic agent/Surfactant"	"carboxylic acid amide"	NA	0	0	1	1
"C97886458"	"97886-45-8"	"Dithiopyr"	"DSSTox_32379"	"Microtuble"	"Herbicide"	"pyridine thio ketone fluoride"	NA	1	0	0	1
"C97994"	"97-99-4"	"Tetrahydrofurfuryl alcohol"	"DSSTox_29128"	""	"Solvent/chemical reactant"	"alcohol pri ether cyclo"	"alcohol ether"	0	0	1	1
"C98000"	"98-00-0"	"Furfuryl alcohol"	"DSSTox_25347"	""	"Solvent/Chemical intermediate"	"furan alcohol pri"	NA	0	0	1	1
"C98011"	"98-01-1"	"Furfural"	"DSSTox_20647"	""	"Solvent/Flavor agent/Chemical intermediate"	"furan aldehyde"	NA	0	1	0	1
"C98066"	"98-06-6"	"tert-Butylbenzene"	"DSSTox_47138"	""	"Chemical reactant/Solvent"	"phenyl alkyl"	"phenyl"	0	1	0	1
"C98077"	"98-07-7"	"Benzotrichloride"	"DSSTox_20148"	""	"Chemical intermediate"	"phenyl chloro"	"phenyl halide"	0	1	0	1
"C98319267"	"98319-26-7"	"Finasteride"	"DSSTox_20625"	"SRD5A2"	"Pharmaceutical"	"steroid T"	"steroid"	0	0	1	1
"C98511"	"98-51-1"	"4-tert-Butyltoluene"	"DSSTox_24704"	""	"Solvent/Chemical intermediate"	"phenyl alkyl"	"phenyl"	0	0	1	1
"C98522"	"98-52-2"	"4-tert-Butylcyclohexanol"	"DSSTox_26623"	""	"Fragrance agent"	"alcohol sec alkane cyclo"	"alcohol"	0	0	1	1
"C98533"	"98-53-3"	"4-tert-Butylcyclohexanone"	"DSSTox_44394"	""	"Fragrance agent"	"ketone cycloalkyl"	"ketone"	0	0	1	1
"C98544"	"98-54-4"	"4-tert-Butylphenol"	"DSSTox_20221"	""	"Plasticizer/chemical intermediate"	"phenol alkyl"	"phenol"	0	1	0	1
"C98566"	"98-56-6"	"1-Chloro-4-(trifluoromethyl)benzene"	"DSSTox_24821"	""	"Chemical intermediate/solvent"	"phenyl halide fluoro"	"phenyl halide"	0	0	1	1
"C98730042"	"98730-04-2"	"Benoxacor"	"DSSTox_29572"	"Unknown"	"Herbicide"	"benoxacor-like"	NA	0	0	1	1
"C98862"	"98-86-2"	"Acetophenone"	"DSSTox_21828"	""	"Textile coatings/flavor and fragrance agent/catalyst"	"phenyl ketone"	NA	0	1	0	1
"C98873"	"98-87-3"	"Benzal chloride"	"DSSTox_25014"	""	"dye component/chemical reactant"	"phenyl chloro"	"phenyl halide"	0	1	0	1
"C98886443"	"98886-44-3"	"Fosthiazate"	"DSSTox_34930"	"ACHE"	"Insecticide"	"thiophosphate alkyl"	NA	1	0	0	1
"C98920"	"98-92-0"	"Niacinamide"	"DSSTox_20929"	"Unknown"	"Vitamin"	"pyridine amide"	NA	0	0	1	1
"C989388"	"989-38-8"	"Rhodamine 6G"	"DSSTox_21243"	""	"Dye"	"aniline dye"	"aniline dye"	0	0	1	1
"C98953"	"98-95-3"	"Nitrobenzene"	"DSSTox_20964"	""	"Chemical reactant"	"phenyl nitro"	"phenyl nitro"	0	1	0	1
"C98967409"	"98967-40-9"	"Flumetsulam"	"DSSTox_32615"	"ALS"	"Herbicide"	"sulfonanilide triazolopyrimidine"	NA	1	0	0	1
"C99070"	"99-07-0"	"3-Dimethylaminophenol"	"DSSTox_25101"	""	"Chemical intermediate"	"phenol amine"	"phenol amine"	0	0	1	1
"C99081"	"99-08-1"	"3-Nitrotoluene"	"DSSTox_21831"	""	"Commercially insignificant"	"phenyl nitro"	"phenyl nitro"	0	1	0	1
"C99309"	"99-30-9"	"Dicloran"	"DSSTox_20426"	"Unknown"	"Fungicide"	"aniline nitro chloro"	"http://www.alanwood.net/pesticides/class_fungicides.html"	1	0	0	1
"C99514"	"99-51-4"	"1,2-Dimethyl-4-nitrobenzene"	"DSSTox_25133"	""	"Chemical reactant"	"phenyl nitro"	"phenyl nitro"	0	1	0	1
"C99547"	"99-54-7"	"3,4-Dichloronitrobenzene"	"DSSTox_24999"	""	"Chemical reactant"	"phenyl nitro chloro"	"phenyl nitro chloro"	0	1	0	1
"C99558"	"99-55-8"	"2-Methyl-5-nitroaniline"	"DSSTox_20959"	""	"Chemical intermediate (dyes)"	"aniline nitro"	""	0	1	0	1
"C99592"	"99-59-2"	"2-Methoxy-5-nitroaniline"	"DSSTox_20943"	""	"Chemical intermediate (dyes)/Dyes"	"aniline nitro alkoxy"	NA	0	1	0	1
"C99607702"	"99607-70-2"	"Cloquintocet-mexyl"	"DSSTox_41794"	"ALS"	"Herbicide"	"pyridine carboxylate halide"	NA	0	0	1	1
"C99627"	"99-62-7"	"1,3-Diisopropylbenzene"	"DSSTox_26640"	""	"Chemical intermediate/Solvent"	"phenyl alkyl"	"phenyl"	0	1	0	1
"C99638"	"99-63-8"	"1,3-Benzenedicarbonyl dichloride"	"DSSTox_26641"	""	"chemical additive (polymers and fibers)"	"phenyl aldehyde halide"	NA	0	0	1	1
"C99650"	"99-65-0"	"1,3-Dinitrobenzene"	"DSSTox_24065"	""	"Chemical intermediate"	"phenyl nitro di"	"phenyl nitro"	0	1	0	1
"C99661"	"99-66-1"	"Valproic acid"	"DSSTox_23733"	"GABARx [ GABAR1 ]"	"Pharmaceutical"	"carboxylic acid"	"carboxylic acid"	0	1	0	1
"C99718"	"99-71-8"	"4-(Butan-2-yl)phenol"	"DSSTox_22332"	""	"Chemical intermediate"	"phenol alkyl"	"phenol"	0	1	0	1
"C99763"	"99-76-3"	"Methylparaben"	"DSSTox_22529"	""	"Microbicide"	"paraben"	"phenol"	0	1	0	1
"C99854"	"99-85-4"	"gamma-Terpinene"	"DSSTox_41210"	""	"flavor and fragrance agent"	"alkene cyclo"	"alkene"	0	0	1	1
"C99865"	"99-86-5"	"alpha-Terpinene"	"DSSTox_41237"	""	"flavor and fragrance agent/natural product"	"alkene cyclo"	"alkene"	0	0	1	1
"C99876"	"99-87-6"	"p-Cymene"	"DSSTox_26645"	""	"Essential oils/Chemical intermediate"	"phenyl alkyl"	"phenyl"	0	1	0	1
"C99898"	"99-89-8"	"4-Isopropylphenol"	"DSSTox_42299"	""	"flavor and fragrance agent"	"phenol alkyl"	"phenol"	0	0	1	1
"C99934"	"99-93-4"	"4-Hydroxyacetophenone"	"DSSTox_29133"	""	"Flavoring agent"	"phenol ketone"	NA	0	0	1	1
"C99967"	"99-96-7"	"4-Hydroxybenzoic acid"	"DSSTox_26647"	""	"Chemical intermediate/Food preservative"	"phenol carboxylic acid"	NA	0	0	1	1
"C99978"	"99-97-8"	"N,N,4-Trimethylaniline"	"DSSTox_21832"	""	"Accelerator (polymers)"	"aniline alkylate alkyl"	"aniline alkylate"	0	1	0	1
"C99990"	"99-99-0"	"4-Nitrotoluene"	"DSSTox_23792"	""	"Chemical reactant"	"phenyl nitro"	"phenyl nitro"	0	1	0	1
"C999973"	"999-97-3"	"Hexamethyldisilazane"	"DSSTox_25395"	""	"Chemical reactant"	"silazane"	NA	0	0	1	1
"CNOCAS34742"	"NOCAS_34742"	"Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)"	"DSSTox_34742"	"Unknown"	"Pesticide"	NA	NA	0	1	0	1
"CNOCAS47248"	"NOCAS_47248"	"CI-1018"	"DSSTox_47248"	"PDE3 PDE4"	"Pharmaceutical"	"Pharma Class 4.334"	NA	0	1	0	1
"CNOCAS47255"	"NOCAS_47255"	"CP-465394"	"DSSTox_47255"	"IL1B"	"Pharmaceutical"	"Pharma Class 4.289"	NA	0	1	0	1
"CNOCAS47265"	"NOCAS_47265"	"CP-471358"	"DSSTox_47265"	"MMP13"	"Pharmaceutical"	"Pharma Class 4.43"	NA	0	1	0	1
"CNOCAS47267"	"NOCAS_47267"	"CP-642931"	"DSSTox_47267"	"SORD"	"Pharmaceutical"	"Pharma Class 4.318"	NA	0	1	0	1
"CNOCAS47291"	"NOCAS_47291"	"CI-1044"	"DSSTox_47291"	"PDE4"	"Pharmaceutical"	"Pharma Class 4.334"	NA	0	1	0	1
"CNOCAS47292"	"NOCAS_47292"	"PD 0200347"	"DSSTox_47292"	"EDN1"	"Pharmaceutical"	"Pharma Class 3.543"	NA	0	1	0	1
"CNOCAS47299"	"NOCAS_47299"	"CP-422935"	"DSSTox_47299"	"NPY"	"Pharmaceutical"	"Pharma Class 3.292"	NA	0	1	0	1
"CNOCAS47305"	"NOCAS_47305"	"CP-608039"	"DSSTox_47305"	"ADORA3"	"Pharmaceutical"	"Pharma Class 2.576"	NA	0	1	0	1
"CNOCAS47311"	"NOCAS_47311"	"GSK163929B"	"DSSTox_47311"	"CCR5"	"Pharmaceutical"	"Pharma Class 4.334"	NA	0	1	0	1
"CNOCAS47325"	"NOCAS_47325"	"SB413217A"	"DSSTox_47325"	"DRD3"	"Pharmaceutical"	"Pharma Class 3.539"	NA	0	1	0	1
"CNOCAS47328"	"NOCAS_47328"	"MK-274"	"DSSTox_47328"	"Ion channel Na"	"Pharmaceutical"	"Pharma Class 4.73"	NA	0	1	0	1
"CNOCAS47330"	"NOCAS_47330"	"PharmaGSID_47330"	"DSSTox_47330"	"GABAR1"	"Pharmaceutical"	"Pharma Class 4.157"	NA	0	1	0	1
"CNOCAS47333"	"NOCAS_47333"	"PharmaGSID_47333"	"DSSTox_47333"	"ITGB1"	"Pharmaceutical"	"Pharma Class 4.275"	NA	0	1	0	1
"CNOCAS47334"	"NOCAS_47334"	"MK-968"	"DSSTox_47334"	"GRIN2B"	"Pharmaceutical"	"Pharma Class 3.462"	NA	0	1	0	1
"CNOCAS47342"	"NOCAS_47342"	"SR125047"	"DSSTox_47342"	"SIGMAR1"	"Pharmaceutical"	"phenyl-phenyl [C] chloro"	"phenyl chloro"	0	1	0	1
"CNOCAS47346"	"NOCAS_47346"	"SSR162369"	"DSSTox_47346"	"DPP4"	"Pharmaceutical"	"Pharma Class 3.601"	NA	0	1	0	1
"CNOCAS47351"	"NOCAS_47351"	"SSR240612"	"DSSTox_47351"	"BDKRB1"	"Pharmaceutical"	"Pharma Class 4.44"	NA	0	1	0	1
"CNOCAS47353"	"NOCAS_47353"	"SSR241586"	"DSSTox_47353"	"ADORA3"	"Pharmaceutical"	"Pharma Class 4.58"	NA	0	1	0	1
"CNOCAS47362"	"NOCAS_47362"	"SSR150106"	"DSSTox_47362"	"Unknown"	"Pharmaceutical"	"Pharma Class 4.306"	NA	0	1	0	1
"CNOCAS47364"	"NOCAS_47364"	"SSR103800"	"DSSTox_47364"	"SLC6A9"	"Pharmaceutical"	"Pharma Class 3.485"	NA	0	1	0	1
"CNOCAS47366"	"NOCAS_47366"	"SAR115740"	"DSSTox_47366"	"TRPV1"	"Pharmaceutical"	"Pharma Class 3.110"	NA	0	1	0	1
"CNOCAS47374"	"NOCAS_47374"	"SSR161421"	"DSSTox_47374"	"ADORA3"	"Pharmaceutical"	"Class 5.157"	NA	0	1	0	1
"CNOCAS47377"	"NOCAS_47377"	"AVE6324"	"DSSTox_47377"	"F10"	"Pharmaceutical"	"Pharma Class 2.576"	NA	0	1	0	1
"CNOCAS47379"	"NOCAS_47379"	"SSR126768"	"DSSTox_47379"	"OXTR"	"Pharmaceutical"	"Pharma Class 4.86"	NA	0	1	0	1
"CNOCAS47383"	"NOCAS_47383"	"AVE3247"	"DSSTox_47383"	"F10"	"Pharmaceutical"	"Pharma Class 4.334"	NA	0	1	0	1
"CNOCAS47385"	"NOCAS_47385"	"SAR377142"	"DSSTox_47385"	"F10"	"Pharmaceutical"	"Pharma Class 2.576"	NA	0	1	0	1
"CNOCAS47387"	"NOCAS_47387"	"SAR102779"	"DSSTox_47387"	"TACR1"	"Pharmaceutical"	"Pharma Class 4.58"	NA	0	1	0	1
"CNOCAS47389"	"NOCAS_47389"	"SAR150640"	"DSSTox_47389"	"ADRB3"	"Pharmaceutical"	"Pharma Class 4.43"	NA	0	1	0	1
"CNOCAS47708"	"NOCAS_47708"	"Igepal CO-890"	"DSSTox_47708"	"Unknown"	"Unknown"	NA	NA	0	1	0	1
"CNOCAS47796"	"NOCAS_47796"	"Formalin"	"DSSTox_47796"	"Unknown"	"Unknown"	NA	NA	0	1	0	1
