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Japanese TGx project: TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) The Toxicogenomics Project (TGP) has established a large-scale toxicogenomics database known as TG-GATEs The primary goal of the TGP was to create a gene expression database by using the Affymetrix GeneChips of 150 chemicals, mainly medical drugs and the main target organ was the liver. The TGP was completed in 2007. The entire system consists of a database, an analysis system, and a prediction system and is named as TG-Genomics-Assisted Toxicity Evaluation System. 1 2 3 (132 chemicals) download  excel file 
CASEINECSChemical NameSMILES
10238-21-8 233-570-6GlibenclamideCOc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3
103-90-2 203-157-54-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
1069-66-5 213-961-8Pentanoic Acid, 2-Propyl-, Sodium Salt (1:1)C(CCC)(CCC)C(=O)[O-].[Na+]
107-18-6 203-470-7Allyl AlcoholOCC=C
1070-11-7 213-970-7[S-(R*,R*)]-2,2'-(Ethylenediimino)Dibutan-1-Ol DihydrochlorideCCC(CO)NCCNC(CC)CO
108-86-1 203-623-8BromobenzeneBrc1ccccc1
1083-57-4 214-109-8BucetinCCOc1ccc(NC(=O)CC(C)O)cc1
11103-57-4 234-328-2Vitamin AC\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
1115-70-4 214-230-6Metformin HydrochlorideCN(C)C(=N)NC(=N)N
113-52-0 204-030-7Imipramine HydrochlorideCN(C)CCCN1c2ccccc2CCc3ccccc13
118-74-1 204-273-9HexachlorobenzeneClc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
1229-29-4 214-966-8Doxepin HydrochlorideCN(C)CC\C=C\1/c2ccccc2COc3ccccc13
126-07-8 204-767-4GriseofulvinCOC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O
1264-62-6 215-033-8Erythromycin Ethyl SuccinateCCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
127-48-0 204-845-8TrimethadioneCN1C(=O)OC(C)(C)C1=O
130-61-0 204-992-8Thioridazine Hydrochloridec1cc2N(CC[C@@H]3[N@@](C)CCCC3)c3c(Sc2cc1)ccc(c3)SC.Cl
13010-47-4 235-859-2LomustineClCCN(N=O)C(=O)NC1CCCCC1
13292-46-1 236-312-0Rifampicin[H][C@]1(OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)C(=O)NC2=C(\C=N\N3CCN(C)CC3)C(O)=C3C4=C(O[C@](C)(O\C=C\[C@H](OC)[C@H]1C)C4=O)C(C)=C(O)C3=C2O
13311-84-7 236-341-9FlutamideCC(C)C(=O)NC1=CC(=C(C=C1)[N](=O)=O)C(F)(F)F
135-23-9 205-184-8Methapyrilene HydrochlorideCN(C)CCN(Cc1cccs1)c2ccccn2.Cl
1404-93-9 604-193-8Vancomycin, HydrochlorideCl.[H][C@@]1(C[C@](C)(N)[C@H](O)[C@H](C)O1)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC1=C2OC3=CC=C(C=C3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3([H])C(C=C1OC1=CC=C(C=C1Cl)[C@@H](O)[C@]1([H])NC(=O)[C@]([H])(NC3=O)C3=CC(=C(O)C=C3)C3=C(C=C(O)C=C3O)[C@]([H])(NC1=O)C(O)=O)=C2
1405-41-0 215-778-9Gentamicin, Sulfate (Salt)CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O
146-56-5 205-674-1Fluphenazine DihydrochlorideOCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
15676-16-1 239-753-7(±)-SulpirideCCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
15687-27-1 239-784-6Benzeneacetic Acid, α-Methyl-4-(2-Methylpropyl)-CC(C)Cc1ccc(cc1)C(C)C(=O)O
1684-40-8 216-867-51,2,3,4-Tetrahydroacridin-9-Amine MonohydrochlorideNc1c2CCCCc2nc3ccccc13
17321-77-6 241-344-3Clomipramine HydrochlorideCN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13
19774-82-4 243-293-2Amiodarone Hydrochloridec1(c2c(cccc2)oc1CCCC)C(c1cc(c(OCC[NH+](CC)CC)c(c1)I)I)=O.[ClH-]
20187-55-7 243-569-2BendazacOC(=O)COc1nn(Cc2ccccc2)c3ccccc13
2152-34-3 218-438-8PemolineNC1=NC(=O)C(O1)c2ccccc2
2192-20-3 218-586-3Hydroxyzine HydrochlorideO(CCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(cc1)Cl)CCO.Cl.Cl
24868-20-0 Dantrolene Sodium Hemiheptahydratec1(c2ccc([N+](=O)[O-])cc2)oc(\C=N\N2CC(=O)[NH-]C2=O)cc1.[Na+]
25316-40-9 246-818-3(8s-Cis)-10-[(3-Amino-2,3,6-Trideoxy-Alpha-L-Lyxo-Hexopyranosyl)Oxy]-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxynaphthacene-5,12-Dione HydrochlorideC[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O.Cl
2576-47-8 219-924-22-Bromoethylamine HydrobromideC(C[NH3+])Br.[BrH-]
25812-30-0 247-280-2GemfibrozilCc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
298-46-4 206-062-7CarbazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
302-22-7 206-118-0Chlormadinone AcetateCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C
305-33-9 206-164-1Iproniazid PhosphateCC(C)NNC(=O)c1ccncc1
315-22-0 MonocrotalineC=12[C@@H]3[C@@H](CC[N@@]3CC1)OC([C@@H]([C@@](C)(O)[C@@](C(OC2)=O)(C)O)C)=O
315-30-0 206-250-9AllopurinolOc1ncnc2[nH]ncc12
32780-64-6 251-211-15-[1-Hydroxy-2-[(1-Methyl-3-Phenylpropyl)Amino]Ethyl]Salicylamide MonohydrochlorideCC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N
33286-22-5 251-443-3(2s-Cis)-3-Acetoxy-5-[2-(Dimethylamino)Ethyl]-2,3-Dihydro-2-(4-Methoxyphenyl)-1,5-Benzothiazepin-4(5h)-One MonohydrochlorideCOc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
3562-84-3 222-630-7BenzbromaroneCCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3
3737-09-5 223-110-2Disopyramiden1ccccc1C(c2ccccc2)(C(=O)N)CCN(C(C)C)C(C)C
38194-50-2 253-819-2SulindacCC1=C(CC(=O)O)c2cc(F)ccc2/C/1=C\c3ccc(cc3)S(=O)C
41575-94-4 255-446-0Diammine[Cyclobutane-1,1-Dicarboxylato(2-)-O,O']PlatinumC12(C(O[Pt](OC1=O)([NH3])[NH3])=O)CCC2
4360-12-7 224-439-4AjmalineCC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]46C[C@@H](C2[C@H]6O)N3[C@@H]1O
446-86-6 207-175-4AzathioprineCn1cnc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-]
49562-28-9 256-376-3FenofibrateCC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
50-33-9 200-029-0PhenylbutazoneCCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
50-54-4 200-046-3Quinidine SulphateS(=O)(O)(O)=O.c12c([C@@H]([C@@H]3[N@@]4C[C@H](C=C)[C@@H](C3)CC4)O)ccnc1ccc(OC)c2.c12c([C@@H]([C@@H]3[N@@]4C[C@H](C=C)[C@@H](C3)CC4)O)ccnc1ccc(c2)OC
50-78-2 200-064-1Acetylsalicylic AcidO=C(Oc(c(ccc1)C(=O)O)c1)C
50892-23-4 Pirinixic AcidCc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
51481-61-9 257-232-2CimetidineCN\C(=N\C#N)\NCCSCc1nc[nH]c1C
52-67-5 200-148-8PenicillamineCC(C)(S)[C@@H](N)C(O)=O
53-86-1 200-186-5IndometacinCOc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
53-96-3 200-188-6Acetamide, N-9h-Fluoren-2-Yl-CC(=O)Nc1ccc2c(Cc3ccccc23)c1
536-33-4 208-628-9EthionamideCCc1cc(ccn1)C(=S)N
53885-35-1 258-837-45-(O-Chlorobenzyl)-4,5,6,7-Tetrahydrothieno[3,2-C]Pyridinium ChlorideClc1ccccc1CN2CCc3sccc3C2
54-31-9 200-203-6FurosemideNS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl
54-85-3 200-214-6IsoniazidNNC(=O)c1ccncc1
549-18-8 208-964-6Amitriptyline HydrochlorideCl.CN(C)CC\C=C1/c2ccccc2CCc3ccccc13
54965-24-1 259-415-2(Z)-[2-[4-(1,2-Diphenylbut-1-Enyl)Phenoxy]Ethyl]Dimethylammonium Dihydrogen 2-Hydroxypropane-1,2,3-TricarboxylateCC/C(=C(c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
55-18-5 200-226-1DiethylnitrosoamineCCN(CC)N=O
555-30-6 209-089-2MethyldopaC(O)(=O)[C@@](Cc1cc(c(O)cc1)O)(C)N
57-30-7 200-322-3Phenobarbital Sodiumc1([C@@]2(C(NC([O-])=NC2=O)=O)CC)ccccc1.[Na+]
57-63-6 200-342-2Ethinylestradiol[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
58-08-2 200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-18-4 200-366-3Methyltestosterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
58-55-9 200-385-7Theophyllinec12c(n(c(=O)n(c1=O)C)C)nc[nH]2
58-60-6 200-388-33'-Amino-3'-Deoxy-N,N-DimethyladenosineCN(C)c1ncnc2c1ncn2[C@@H]3O[C@H](CO)C(N)[C@H]3O
58-71-9 200-394-6Cefalotin SodiumN12[C@@H]([C@@H](NC(Cc3cccs3)=O)C2=O)SCC(=C1C(=O)[O-])COC(C)=O.[Na+]
59-05-2 200-413-8MethotrexateCN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O
59-66-5 200-440-5AcetazolamideCC(=O)Nc1nnc(s1)S(=O)(=O)N
59-67-6 200-441-0Nicotinic Acidc1(cccnc1)C(O)=O
59-87-0 200-443-1NitrofuralNC(=O)N\N=C\c1oc(cc1)[N+](=O)[O-]
599-79-1 209-974-3SalazosulfapyridineOC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3
60-56-0 200-482-4Thiamazole[H][C@]12C[C@]([H])([C@@H]3O[C@H]13)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl
6055-19-2 Cyclophosphamide (Hydrated)C1CNP(=O)(OC1)N(CCCl)CCCl.O
61-25-6 200-502-1Papaverine Hydrochloridec12c(cc(c(c2)OC)OC)ccnc1Cc1cc(c(cc1)OC)OC.Cl
61-68-7 200-513-1Mefenamic Acidc1(c(cccc1)C(=O)O)Nc1c(c(ccc1)C)C
62-44-2 200-533-0PhenacetinCCOc1ccc(NC(=O)C)cc1
62-55-5 200-541-4ThioacetamideCC(=S)N
62571-86-2 263-607-1CaptoprilC[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
637-07-0 211-277-4ClofibrateCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
64-17-5 200-578-6EthanolC(C)O
64-75-5 200-593-8Tetracycline HydrochlorideCl.[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
64-77-7 200-594-3TolbutamideCCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
64-86-8 200-598-5ColchicineCOC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
65277-42-1 265-667-4KetoconazoleCC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
66357-59-3 266-333-0N-[2-[[5-[(Dimethylamino)Methyl]Furfuryl]Thio]Ethyl]-N'-Methyl-2-Nitrovinylidenediamine HydrochlorideCl.c1(oc(CSCCN\C(=C\[N+](=O)[O-])NC)cc1)CN(C)C
67-20-9 200-646-5Nitrofurantoinc1cc(oc1/C=N/N2CC(=O)NC2=O)[N+](=O)[O-]
6724-53-4 229-775-52-(2,2-Dicyclohexylethyl)Piperidinium Hydrogen MaleateC1(CCCCC1)C(C1CCCCC1)C[C@@H]1NCCCC1.C(\C=C/C(=O)O)(O)=O
68-90-6 200-695-2BenziodaroneCCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3
69-09-0 200-701-3Chlorpromazine HydrochlorideN1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCN(C)C.Cl
71125-38-7 615-253-82h-1,2-Benzothiazine-3-Carboxamide, 4-Hydroxy-2-Methyl-N-(5-Methyl-2-Thiazolyl)-, 1,1-DioxideCN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3
73590-58-6 615-996-81h-Benzimidazole, 6-Methoxy-2-[[(4-Methoxy-3,5-Dimethyl-2-Pyridinyl)Methyl]Sulfinyl]-COc1ccc2nc([nH]c2c1)S(=O)Cc3ncc(C)c(OC)c3C
76095-16-4 278-375-7(S)-1-[N-[1-(Ethoxycarbonyl)-3-Phenylpropyl]-L-Alanyl]-L-Proline MaleateN1(CCC[C@H]1C(O)=O)C([C@@H](N[C@H](CCc1ccccc1)C(OCC)=O)C)=O.OC(\C=C/C(O)=O)=O
76824-35-6 616-396-9Propanimidamide, 3-[[[2-[(Aminoiminomethyl)Amino]-4-Thiazolyl]Methyl]Thio]-N-(Aminosulfonyl)-NC(=N)Nc1nc(CSCCC(=N)NS(=O)(=O)N)cs1
78628-80-5 616-640-41-Naphthalenemethanamine, N-[(2e)-6,6-Dimethyl-2-Hepten-4-Yn-1-Yl]-N-Methyl-, Hydrochloride (1:1)CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
91-40-7 202-066-8N-Phenylanthranilic AcidOC(=O)c1ccccc1Nc2ccccc2
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