AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-7

SMILES stringlengths 2 1.16k	IUPAC stringlengths 6 4.15k
Cc1cc(N2CC3CNCC3C2)n2ncnc2n1	7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CCCNC(=O)C(Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O	N-[(3-bromophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]butanamide
O=C1NCCCCC1NCc1cc2ccccc2o1	3-(1-benzofuran-2-ylmethylamino)azepan-2-one
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanone
Cc1cccc(-c2ccccc2)c1N1c2c(C#N)ccc(C#N)c2N(C)[C@@H]1C	(2S)-1,2-dimethyl-3-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4,7-dicarbonitrile
N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1cccc(OCc2ccccc2)c1	5-imino-1-(3-phenylmethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CC1c2cccc3cccc(c23)C1C.CCC(C)c1ccc(OC(C)=O)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1	(4-butan-2-ylphenyl) acetate;1,2-dimethyl-1,2-dihydroacenaphthylene;(1-ethylcyclopentyl) 2,2-dimethylbutanoate
Cc1ccccc1-c1ccnc(NC(=O)CO)c1	2-hydroxy-N-[4-(2-methylphenyl)pyridin-2-yl]acetamide
CC[C@@H](C)n1ncc2c(C(=O)NCCS(N)(=O)=O)cc(C)nc21	1-[(2R)-butan-2-yl]-6-methyl-N-(2-sulfamoylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
C=Cc1cccc(F)c1C(=O)N(C)c1cccc(Cl)c1CO	N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide
COc1ccc(CCC(C)NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)cc1	2-chloro-N-[4-(4-methoxyphenyl)butan-2-yl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CC(C)c1csc(NC(=O)[C@@H]2CCC[C@@H]2CN)n1.Cl	(1R,2S)-2-(aminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1	(2R)-2-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)COc1ccc(Cl)cc1Cl	ethyl 4-(4-bromophenyl)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate
CCCCc1cn(C2C(CC)CCCCC2C(C)=O)c(=O)n1Cc1cc(-c2cccc(-c3nn[nH]n3)c2)ccn1	1-(2-acetyl-7-ethylcycloheptyl)-4-butyl-3-[[4-[3-(2H-tetrazol-5-yl)phenyl]pyridin-2-yl]methyl]imidazol-2-one
NC(=O)n1cc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2)c2ccccc21	(2S)-2-N-benzyl-1-N-(1-carbamoylindol-3-yl)pyrrolidine-1,2-dicarboxamide
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCN1CCOCC1	(2R,8R)-6-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1	5-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CN=C(NCC1(C2CC2)CC1)N1CCC(C)C(n2ccnc2)C1	N-[(1-cyclopropylcyclopropyl)methyl]-3-imidazol-1-yl-N',4-dimethylpiperidine-1-carboximidamide
COCCCOC(=O)[C@H](C)NP1(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@](C)(O)[C@@H]2O1	3-methoxypropyl (2S)-2-[[(4aR,6R,7R,7aR)-6-(4-amino-2-oxopyrimidin-1-yl)-7-hydroxy-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate
COCC(Cl)Cc1ncccn1	2-(2-chloro-3-methoxypropyl)pyrimidine
NC(Cc1ccc(-c2ccccc2)cn1)C(=O)O	2-amino-3-(5-phenylpyridin-2-yl)propanoic acid
Cc1nsc(Nc2ccc(C(F)(F)F)c(C(N)=S)c2)n1	5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)N[C@@H](CS)C(=O)O	(2R)-3-sulfanyl-2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoylamino)propanoic acid
Cc1cc2nc(-c3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3Cl)oc2cc1C	N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(C(C)(C)c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(OC)cc%12)cc%11)c(CC=C)c%10)cc9CC=C)cc8)cc7)c(/C=C/C)c6)cc5/C=C/C)cc4)cc3)c(/C=C/C)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1	1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene
COCCCC1(C#N)CCC(C)CC1	1-(3-methoxypropyl)-4-methylcyclohexane-1-carbonitrile
O=C=Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Br)cc1F	1-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-fluoro-4-isocyanatobenzene
CC(NCc1cnc[nH]1)c1ccc(Br)o1	1-(5-bromofuran-2-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine
C#CCC(O)c1cnn2ccncc12	1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-ol
O=S(=O)(c1cccnc1)N1CC=C(c2ccccc2)CC1	3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyridine
Cn1ncc(Cl)c1S(=O)(=O)NC1CCCC1C#N	4-chloro-N-(2-cyanocyclopentyl)-2-methylpyrazole-3-sulfonamide
CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCC(=O)OCc1ccccc1	benzyl 2-[2-(4-tert-butylphenoxy)propanoylamino]acetate
COCCN(C)c1ccc(CC(/C(=N/O)c2ccncc2)c2ccccc2C)cc1	(NZ)-N-[3-[4-[2-methoxyethyl(methyl)amino]phenyl]-2-(2-methylphenyl)-1-pyridin-4-ylpropylidene]hydroxylamine
[N-]=[N+]=NC1[C@H](O)OC(CO)[C@@H](N=[N+]=[N-])[C@@H]1O	(2R,4S,5S)-3,5-diazido-6-(hydroxymethyl)oxane-2,4-diol
CCNc1cc(NC(C)CN2CCOCC2)nc(N)n1	6-N-ethyl-4-N-(1-morpholin-4-ylpropan-2-yl)pyrimidine-2,4,6-triamine
O=C(NCCOc1cccc(Cl)c1)NCC1(CO)CC1	1-[2-(3-chlorophenoxy)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
C=CCC[C@H](OCc1ccccc1)[C@H]1OC(OC)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1	(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-[(1S)-1-phenylmethoxypent-4-enyl]oxolane
OC1=CC2=CC=CC(O)=C3OOC(=C1O)C23	2,3-dioxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8,10-pentaene-5,6,12-triol
COCCNS(=O)(=O)c1cccc(Nc2ncc3nnn(-c4cccc(F)c4)c3n2)c1	3-[[3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(CCc4nccs4)c3)CC2)cc1C	4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[2-(1,3-thiazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
CCCC1CCC(c2cc(F)c(C(=O)Oc3ccc4cc(F)c(F)cc4c3)c(F)c2)CC1	(6,7-difluoronaphthalen-2-yl) 2,6-difluoro-4-(4-propylcyclohexyl)benzoate
Cc1cc(NC(C)c2ccncc2F)nc(-c2cccnc2)n1	N-[1-(3-fluoropyridin-4-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
O=C(OC[C@@H]1CCCC[C@@H]1Cn1ncc2cnc(Cl)nc21)c1ccccc1	[(1R,2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclohexyl]methyl benzoate
CCOc1ccc2c(c1)c(C)c(C(=O)N1CCCC(C)C1)n2CC	(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(3-methylpiperidin-1-yl)methanone
CC.O=C(O)C1CCCC1.O=C(O)Cc1ccccc1	cyclopentanecarboxylic acid;ethane;2-phenylacetic acid
O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1ccccc1Cl	2-chloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CCN(CC)CCOc1ccc(CNc2ccccn2)cc1OC	N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]pyridin-2-amine
CCc1cc(N)c(CC)c(S(=O)(=O)NC(C)C(=O)NC)c1	2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N-methylpropanamide
O=C(NCCN1CCCC1)c1cccc(-c2cccc(CN(CCc3ccc(O)cc3)C(=O)CCc3c[nH]c4ccccc34)c2)c1.O=C(O)C(F)(F)F	3-[3-[[2-(4-hydroxyphenyl)ethyl-[3-(1H-indol-3-yl)propanoyl]amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
COCCOc1ccc(C(=O)N2CC[C@@H]3CNC[C@@H]3CC2)cc1.Cl	[(3aS,8aR)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]-[4-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CCNC(=O)[C@@H]1Cc2ccc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cc2N2CCOC[C@@H]12	(4aR,5R)-N-ethyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide
CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(OC)OC)cc1	(1R,2S,6S,7R)-1,7,8,9-tetrachloro-4-(4-ethylphenyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
O=C(CCCC(=O)Nc1cccc([C@@H]2O[C@H](Cn3cnc4ccccc43)C[C@H](c3ccc(CO)cc3)O2)c1)NO	N-[3-[(2S,4S,6R)-4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxypentanediamide
C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)[C@H](c2ccccc2)CC[C@@H]1c1ccccc1	(2S)-2-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(3S,4R,7S)-1-methyl-2-oxo-4,7-diphenylazepan-3-yl]propanamide
COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1cccs1	N-[2-[(3R)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
COc1ccccc1CC(=O)NC1CNCCC1c1ccc(F)c(F)c1.Cl	N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-(2-methoxyphenyl)acetamide;hydrochloride
COc1ccc([C@@]23CC[C@@H](NC(=O)Nc4cc(Cl)ccc4C)C[C@@H]2N(C2CCN(C)CC2)CC3)cc1OC.O=C(O)C(F)(F)F	1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-(1-methylpiperidin-4-yl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(5-chloro-2-methylphenyl)urea;2,2,2-trifluoroacetic acid
C=Nn1c([C@@H]2O[C@H](CO)C[C@@H]2C)cnc1C(N)=NC	5-[(2R,3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N'-methyl-1-(methylideneamino)imidazole-2-carboximidamide
C=CCNC(=S)N1C[C@@H](C(=O)NC)Oc2ccccc21	(2S)-N-methyl-4-(prop-2-enylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CSc1ccc(Br)cc1CCC=O	3-(5-bromo-2-methylsulfanylphenyl)propanal
CCOC(=O)[C@H]1CCON1.Cl	ethyl (3R)-1,2-oxazolidine-3-carboxylate;hydrochloride
Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1	N-(2-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CC(C(=O)NCc1cccs1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1	2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CN(c1ncnc2[nH]ccc12)C1C[C@H]2CCNC[C@@H]2C1.Cl	N-[(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CC(C)(C)C(CO)n1c[n+](Cc2ccccc2)c2ccccc21	2-(3-benzylbenzimidazol-3-ium-1-yl)-3,3-dimethylbutan-1-ol
O=C1[C@@H]2[C@H](C(=O)N1CCCN1C(=O)[C@@H]3[C@H](C1=O)[C@@H]1CC[C@H]3O1)[C@@H]1CC[C@H]2O1	(3aS,4S,7R,7aR)-2-[3-[(3aS,4S,7R,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]propyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)Cc2ccccc2)O1)C1CCCC1	N-[[(1R,3R,6R)-7-benzylsulfonyl-2-oxa-7-azabicyclo[4.2.0]octan-3-yl]methyl]cyclopentanecarboxamide
O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2C(=O)CCC2=O)CC1	1-[2-[4-[3-(2-nitrophenyl)prop-2-enoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=C[C@H](O)[C@]89C(=O)O[C@@](C)(CCC=C(C)C)[C@H]8CC[C@@]9(C)[C@@H]7CC[C@H]6C5(C)C)OC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)O[C@@H]3C)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O	(1S,2S,5S,6S,9S,10S,13S,16S,18R)-16-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-3-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one
CCN(CC)C(CNC(=O)c1nnn(C2CCNCC2)c1C)CC(C)C	N-[2-(diethylamino)-4-methylpentyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
Cc1ncc(-c2cc(C(C)(C)C)nn2C)o1	5-(5-tert-butyl-2-methylpyrazol-3-yl)-2-methyl-1,3-oxazole
COCCn1ncc(Cl)c1C(N)c1ccc2c(c1)CCO2	[4-chloro-2-(2-methoxyethyl)pyrazol-3-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
COCc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	5-(4-fluorophenyl)-N'-[2-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccn(COc2ccc(Br)cc2Cl)n1	1-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
COc1ncccc1-c1ccc(O)c(-c2nc3cc4c[nH][nH]c4cc3n2)c1	2-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-4-(2-methoxypyridin-3-yl)phenol
COC[C@H]1CCCN1C(=O)C[C@@H]1CCN2C[C@@H]1CC(=O)NCC[C@H]1CN(Cc3cccc(OC)c3)CC[C@H]1CC(=O)NCCc1nc(C)c(s1)C2=O	(12S,17R,23R,24S)-24-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-[(3-methoxyphenyl)methyl]-4-methyl-28-thia-1,5,9,15,20-pentazatetracyclo[21.3.1.13,6.012,17]octacosa-3,5-diene-2,10,21-trione
COc1cccc(C[NH+](C)[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	(3-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium
C[C@@H](O/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(N)c(N)c(N)[n+]3C)CSC12)c1csc(N)n1)C(=O)O	7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1R)-1-carboxyethoxy]iminoacetyl]amino]-8-oxo-3-[(4,5,6-triamino-1-methylpyrimidin-1-ium-2-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C.C.C.CCCC[NH3+].CCCN.CCCNC(C)=O.CCOC(=O)NC.[V]	butylazanium;ethyl N-methylcarbamate;methane;propan-1-amine;N-propylacetamide;vanadium
CC(C(=O)O)N1CCCC(C(=O)N2CCOCC2)C1	2-[3-(morpholine-4-carbonyl)piperidin-1-yl]propanoic acid
CN1CCC(C(=O)Nc2nc3ccc(NSc4cn5c(n4)CCC5)cc3s2)CC1	N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanylamino)-1,3-benzothiazol-2-yl]-1-methylpiperidine-4-carboxamide
COc1ccc(C(C=N)NC(=O)c2cn(CCNC(=O)c3ccc(OC)c(OC)c3OC)nn2)cn1	N-[2-imino-1-(6-methoxypyridin-3-yl)ethyl]-1-[2-[(2,3,4-trimethoxybenzoyl)amino]ethyl]triazole-4-carboxamide
Cc1cnc(-c2ccc(-c3ccc(Cl)cc3)cc2)n1CC1CCN(C(=O)C2CC2)C1	[3-[[2-[4-(4-chlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
Cc1csc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2C)n1	3,4-dichloro-N-[(1S)-2-methyl-1-[4-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
CC(C#N)N(C)C1CC(C)(C)C1	2-[(3,3-dimethylcyclobutyl)-methylamino]propanenitrile
CCOc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3OC)c2)cc1	2-(4-ethoxyphenoxy)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]acetamide
CCOC(=O)c1c(C)c(S(=O)(=O)NC[C@H]2CCCO2)c(C)n1C	ethyl 1,3,5-trimethyl-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]pyrrole-2-carboxylate
CC(CCN)NCCc1ccncc1	3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine
CCOc1ccc(C(=O)NC(=NCc2ccncc2)Nc2ccc([C@@H](C)CC)cc2)cc1	N-[N-[4-[(2S)-butan-2-yl]phenyl]-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-ethoxybenzamide
CC(C)C(CNC(=O)NC1CC1(C)C)C(=O)O	2-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-3-methylbutanoic acid
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-[4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanoyl]amino]butanamide
CCCOc1ccccc1/C=C/C(=O)N(CCC(=O)OCC)C1CC1	ethyl 3-[cyclopropyl-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]amino]propanoate
C=C/C(CCC)=C(\C=C)c1ccccc1	[(3E)-4-ethenylhepta-1,3-dien-3-yl]benzene
CCN1CCN(c2nc3c(cc2C(N)=NO)CCC3)CC1	2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CC1CCC(C(C)C)[C@H]2CC(CCC1=O)C(=O)O2	(9R)-5-methyl-8-propan-2-yl-10-oxabicyclo[7.2.1]dodecane-4,11-dione
COc1ccc(C2=NC(Cc3ccc4ccccc4c3)C(=O)N(C)c3ccc(Cl)cc32)cc1	7-chloro-5-(4-methoxyphenyl)-1-methyl-3-(naphthalen-2-ylmethyl)-3H-1,4-benzodiazepin-2-one
Cc1ccc(C(C)C)cc1-c1nc(CN)nn1C	[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanamine
CCCS(=O)(=O)c1ccccc1C(=O)NCc1ncc(-c2ccccc2)o1	N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-propylsulfonylbenzamide
C=C(COc1cccc(N2CCCC2=O)c1)C(=O)O	2-[[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl]prop-2-enoic acid

Cc1cc(N2CC3CNCC3C2)n2ncnc2n1

7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

CCCNC(=O)C(Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O

N-[(3-bromophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]butanamide

O=C1NCCCCC1NCc1cc2ccccc2o1

3-(1-benzofuran-2-ylmethylamino)azepan-2-one

O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanone

Cc1cccc(-c2ccccc2)c1N1c2c(C#N)ccc(C#N)c2N(C)[C@@H]1C

(2S)-1,2-dimethyl-3-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4,7-dicarbonitrile

N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1cccc(OCc2ccccc2)c1

5-imino-1-(3-phenylmethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol

CC1c2cccc3cccc(c23)C1C.CCC(C)c1ccc(OC(C)=O)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1

(4-butan-2-ylphenyl) acetate;1,2-dimethyl-1,2-dihydroacenaphthylene;(1-ethylcyclopentyl) 2,2-dimethylbutanoate

Cc1ccccc1-c1ccnc(NC(=O)CO)c1

2-hydroxy-N-[4-(2-methylphenyl)pyridin-2-yl]acetamide

CC[C@@H](C)n1ncc2c(C(=O)NCCS(N)(=O)=O)cc(C)nc21

1-[(2R)-butan-2-yl]-6-methyl-N-(2-sulfamoylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C=Cc1cccc(F)c1C(=O)N(C)c1cccc(Cl)c1CO

N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide

COc1ccc(CCC(C)NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)cc1

2-chloro-N-[4-(4-methoxyphenyl)butan-2-yl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

CC(C)c1csc(NC(=O)[C@@H]2CCC[C@@H]2CN)n1.Cl

(1R,2S)-2-(aminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride

COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1

(2R)-2-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide

CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)COc1ccc(Cl)cc1Cl

ethyl 4-(4-bromophenyl)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate

CCCCc1cn(C2C(CC)CCCCC2C(C)=O)c(=O)n1Cc1cc(-c2cccc(-c3nn[nH]n3)c2)ccn1

1-(2-acetyl-7-ethylcycloheptyl)-4-butyl-3-[[4-[3-(2H-tetrazol-5-yl)phenyl]pyridin-2-yl]methyl]imidazol-2-one

NC(=O)n1cc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2)c2ccccc21

(2S)-2-N-benzyl-1-N-(1-carbamoylindol-3-yl)pyrrolidine-1,2-dicarboxamide

O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCN1CCOCC1

(2R,8R)-6-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1

5-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

CN=C(NCC1(C2CC2)CC1)N1CCC(C)C(n2ccnc2)C1

N-[(1-cyclopropylcyclopropyl)methyl]-3-imidazol-1-yl-N',4-dimethylpiperidine-1-carboximidamide

COCCCOC(=O)[C@H](C)NP1(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@](C)(O)[C@@H]2O1

3-methoxypropyl (2S)-2-[[(4aR,6R,7R,7aR)-6-(4-amino-2-oxopyrimidin-1-yl)-7-hydroxy-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate

COCC(Cl)Cc1ncccn1

2-(2-chloro-3-methoxypropyl)pyrimidine

NC(Cc1ccc(-c2ccccc2)cn1)C(=O)O

2-amino-3-(5-phenylpyridin-2-yl)propanoic acid

Cc1nsc(Nc2ccc(C(F)(F)F)c(C(N)=S)c2)n1

5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)N[C@@H](CS)C(=O)O

(2R)-3-sulfanyl-2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoylamino)propanoic acid

Cc1cc2nc(-c3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3Cl)oc2cc1C

N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide

C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(C(C)(C)c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(OC)cc%12)cc%11)c(CC=C)c%10)cc9CC=C)cc8)cc7)c(/C=C/C)c6)cc5/C=C/C)cc4)cc3)c(/C=C/C)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1

1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene

COCCCC1(C#N)CCC(C)CC1

1-(3-methoxypropyl)-4-methylcyclohexane-1-carbonitrile

O=C=Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Br)cc1F

1-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-fluoro-4-isocyanatobenzene

CC(NCc1cnc[nH]1)c1ccc(Br)o1

1-(5-bromofuran-2-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine

C#CCC(O)c1cnn2ccncc12

1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-ol

O=S(=O)(c1cccnc1)N1CC=C(c2ccccc2)CC1

3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyridine

Cn1ncc(Cl)c1S(=O)(=O)NC1CCCC1C#N

4-chloro-N-(2-cyanocyclopentyl)-2-methylpyrazole-3-sulfonamide

CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCC(=O)OCc1ccccc1

benzyl 2-[2-(4-tert-butylphenoxy)propanoylamino]acetate

COCCN(C)c1ccc(CC(/C(=N/O)c2ccncc2)c2ccccc2C)cc1

(NZ)-N-[3-[4-[2-methoxyethyl(methyl)amino]phenyl]-2-(2-methylphenyl)-1-pyridin-4-ylpropylidene]hydroxylamine

[N-]=[N+]=NC1[C@H](O)OC(CO)[C@@H](N=[N+]=[N-])[C@@H]1O

(2R,4S,5S)-3,5-diazido-6-(hydroxymethyl)oxane-2,4-diol

CCNc1cc(NC(C)CN2CCOCC2)nc(N)n1

6-N-ethyl-4-N-(1-morpholin-4-ylpropan-2-yl)pyrimidine-2,4,6-triamine

O=C(NCCOc1cccc(Cl)c1)NCC1(CO)CC1

1-[2-(3-chlorophenoxy)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C=CCC[C@H](OCc1ccccc1)[C@H]1OC(OC)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-[(1S)-1-phenylmethoxypent-4-enyl]oxolane

OC1=CC2=CC=CC(O)=C3OOC(=C1O)C23

2,3-dioxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8,10-pentaene-5,6,12-triol

COCCNS(=O)(=O)c1cccc(Nc2ncc3nnn(-c4cccc(F)c4)c3n2)c1

3-[[3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide

COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(CCc4nccs4)c3)CC2)cc1C

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[2-(1,3-thiazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide

CCCC1CCC(c2cc(F)c(C(=O)Oc3ccc4cc(F)c(F)cc4c3)c(F)c2)CC1

(6,7-difluoronaphthalen-2-yl) 2,6-difluoro-4-(4-propylcyclohexyl)benzoate

Cc1cc(NC(C)c2ccncc2F)nc(-c2cccnc2)n1

N-[1-(3-fluoropyridin-4-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

O=C(OC[C@@H]1CCCC[C@@H]1Cn1ncc2cnc(Cl)nc21)c1ccccc1

[(1R,2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclohexyl]methyl benzoate

CCOc1ccc2c(c1)c(C)c(C(=O)N1CCCC(C)C1)n2CC

(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(3-methylpiperidin-1-yl)methanone

CC.O=C(O)C1CCCC1.O=C(O)Cc1ccccc1

cyclopentanecarboxylic acid;ethane;2-phenylacetic acid

O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1ccccc1Cl

2-chloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

CCN(CC)CCOc1ccc(CNc2ccccn2)cc1OC

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]pyridin-2-amine

CCc1cc(N)c(CC)c(S(=O)(=O)NC(C)C(=O)NC)c1

2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N-methylpropanamide

O=C(NCCN1CCCC1)c1cccc(-c2cccc(CN(CCc3ccc(O)cc3)C(=O)CCc3c[nH]c4ccccc34)c2)c1.O=C(O)C(F)(F)F

3-[3-[[2-(4-hydroxyphenyl)ethyl-[3-(1H-indol-3-yl)propanoyl]amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid

COCCOc1ccc(C(=O)N2CC[C@@H]3CNC[C@@H]3CC2)cc1.Cl

[(3aS,8aR)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]-[4-(2-methoxyethoxy)phenyl]methanone;hydrochloride

CCNC(=O)[C@@H]1Cc2ccc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cc2N2CCOC[C@@H]12

(4aR,5R)-N-ethyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide

CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(OC)OC)cc1

(1R,2S,6S,7R)-1,7,8,9-tetrachloro-4-(4-ethylphenyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

O=C(CCCC(=O)Nc1cccc([C@@H]2O[C@H](Cn3cnc4ccccc43)C[C@H](c3ccc(CO)cc3)O2)c1)NO

N-[3-[(2S,4S,6R)-4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxypentanediamide

C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)[C@H](c2ccccc2)CC[C@@H]1c1ccccc1

(2S)-2-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(3S,4R,7S)-1-methyl-2-oxo-4,7-diphenylazepan-3-yl]propanamide

COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1cccs1

N-[2-[(3R)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

COc1ccccc1CC(=O)NC1CNCCC1c1ccc(F)c(F)c1.Cl

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-(2-methoxyphenyl)acetamide;hydrochloride

COc1ccc([C@@]23CC[C@@H](NC(=O)Nc4cc(Cl)ccc4C)C[C@@H]2N(C2CCN(C)CC2)CC3)cc1OC.O=C(O)C(F)(F)F

1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-(1-methylpiperidin-4-yl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(5-chloro-2-methylphenyl)urea;2,2,2-trifluoroacetic acid

C=Nn1c([C@@H]2O[C@H](CO)C[C@@H]2C)cnc1C(N)=NC

5-[(2R,3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N'-methyl-1-(methylideneamino)imidazole-2-carboximidamide

C=CCNC(=S)N1C[C@@H](C(=O)NC)Oc2ccccc21

(2S)-N-methyl-4-(prop-2-enylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

CSc1ccc(Br)cc1CCC=O

3-(5-bromo-2-methylsulfanylphenyl)propanal

CCOC(=O)[C@H]1CCON1.Cl

ethyl (3R)-1,2-oxazolidine-3-carboxylate;hydrochloride

Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1

N-(2-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

CC(C(=O)NCc1cccs1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1

2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

CN(c1ncnc2[nH]ccc12)C1C[C@H]2CCNC[C@@H]2C1.Cl

N-[(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

CC(C)(C)C(CO)n1c[n+](Cc2ccccc2)c2ccccc21

2-(3-benzylbenzimidazol-3-ium-1-yl)-3,3-dimethylbutan-1-ol

O=C1[C@@H]2[C@H](C(=O)N1CCCN1C(=O)[C@@H]3[C@H](C1=O)[C@@H]1CC[C@H]3O1)[C@@H]1CC[C@H]2O1

(3aS,4S,7R,7aR)-2-[3-[(3aS,4S,7R,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]propyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)Cc2ccccc2)O1)C1CCCC1

N-[[(1R,3R,6R)-7-benzylsulfonyl-2-oxa-7-azabicyclo[4.2.0]octan-3-yl]methyl]cyclopentanecarboxamide

O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2C(=O)CCC2=O)CC1

1-[2-[4-[3-(2-nitrophenyl)prop-2-enoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=C[C@H](O)[C@]89C(=O)O[C@@](C)(CCC=C(C)C)[C@H]8CC[C@@]9(C)[C@@H]7CC[C@H]6C5(C)C)OC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)O[C@@H]3C)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O

(1S,2S,5S,6S,9S,10S,13S,16S,18R)-16-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-3-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one

CCN(CC)C(CNC(=O)c1nnn(C2CCNCC2)c1C)CC(C)C

N-[2-(diethylamino)-4-methylpentyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

Cc1ncc(-c2cc(C(C)(C)C)nn2C)o1

5-(5-tert-butyl-2-methylpyrazol-3-yl)-2-methyl-1,3-oxazole

COCCn1ncc(Cl)c1C(N)c1ccc2c(c1)CCO2

[4-chloro-2-(2-methoxyethyl)pyrazol-3-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine

COCc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1

5-(4-fluorophenyl)-N'-[2-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide

O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccn(COc2ccc(Br)cc2Cl)n1

1-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-3-carboxamide

COc1ncccc1-c1ccc(O)c(-c2nc3cc4c[nH][nH]c4cc3n2)c1

2-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-4-(2-methoxypyridin-3-yl)phenol

COC[C@H]1CCCN1C(=O)C[C@@H]1CCN2C[C@@H]1CC(=O)NCC[C@H]1CN(Cc3cccc(OC)c3)CC[C@H]1CC(=O)NCCc1nc(C)c(s1)C2=O

(12S,17R,23R,24S)-24-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-[(3-methoxyphenyl)methyl]-4-methyl-28-thia-1,5,9,15,20-pentazatetracyclo[21.3.1.13,6.012,17]octacosa-3,5-diene-2,10,21-trione

COc1cccc(C[NH+](C)[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1

(3-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium

C[C@@H](O/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(N)c(N)c(N)[n+]3C)CSC12)c1csc(N)n1)C(=O)O

7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1R)-1-carboxyethoxy]iminoacetyl]amino]-8-oxo-3-[(4,5,6-triamino-1-methylpyrimidin-1-ium-2-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C.C.C.CCCC[NH3+].CCCN.CCCNC(C)=O.CCOC(=O)NC.[V]

butylazanium;ethyl N-methylcarbamate;methane;propan-1-amine;N-propylacetamide;vanadium

CC(C(=O)O)N1CCCC(C(=O)N2CCOCC2)C1

2-[3-(morpholine-4-carbonyl)piperidin-1-yl]propanoic acid

CN1CCC(C(=O)Nc2nc3ccc(NSc4cn5c(n4)CCC5)cc3s2)CC1

N-[6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanylamino)-1,3-benzothiazol-2-yl]-1-methylpiperidine-4-carboxamide

COc1ccc(C(C=N)NC(=O)c2cn(CCNC(=O)c3ccc(OC)c(OC)c3OC)nn2)cn1

N-[2-imino-1-(6-methoxypyridin-3-yl)ethyl]-1-[2-[(2,3,4-trimethoxybenzoyl)amino]ethyl]triazole-4-carboxamide

Cc1cnc(-c2ccc(-c3ccc(Cl)cc3)cc2)n1CC1CCN(C(=O)C2CC2)C1

[3-[[2-[4-(4-chlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone

Cc1csc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2C)n1

3,4-dichloro-N-[(1S)-2-methyl-1-[4-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide

CC(C#N)N(C)C1CC(C)(C)C1

2-[(3,3-dimethylcyclobutyl)-methylamino]propanenitrile

CCOc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3OC)c2)cc1

2-(4-ethoxyphenoxy)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]acetamide

CCOC(=O)c1c(C)c(S(=O)(=O)NC[C@H]2CCCO2)c(C)n1C

ethyl 1,3,5-trimethyl-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]pyrrole-2-carboxylate

CC(CCN)NCCc1ccncc1

3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine

CCOc1ccc(C(=O)NC(=NCc2ccncc2)Nc2ccc([C@@H](C)CC)cc2)cc1

N-[N-[4-[(2S)-butan-2-yl]phenyl]-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-ethoxybenzamide

CC(C)C(CNC(=O)NC1CC1(C)C)C(=O)O

2-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-3-methylbutanoic acid

CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O

(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-[4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanoyl]amino]butanamide

CCCOc1ccccc1/C=C/C(=O)N(CCC(=O)OCC)C1CC1

ethyl 3-[cyclopropyl-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]amino]propanoate

C=C/C(CCC)=C(\C=C)c1ccccc1

[(3E)-4-ethenylhepta-1,3-dien-3-yl]benzene

CCN1CCN(c2nc3c(cc2C(N)=NO)CCC3)CC1

2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

CC1CCC(C(C)C)[C@H]2CC(CCC1=O)C(=O)O2

(9R)-5-methyl-8-propan-2-yl-10-oxabicyclo[7.2.1]dodecane-4,11-dione

COc1ccc(C2=NC(Cc3ccc4ccccc4c3)C(=O)N(C)c3ccc(Cl)cc32)cc1

7-chloro-5-(4-methoxyphenyl)-1-methyl-3-(naphthalen-2-ylmethyl)-3H-1,4-benzodiazepin-2-one

Cc1ccc(C(C)C)cc1-c1nc(CN)nn1C

[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanamine

CCCS(=O)(=O)c1ccccc1C(=O)NCc1ncc(-c2ccccc2)o1

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-propylsulfonylbenzamide

C=C(COc1cccc(N2CCCC2=O)c1)C(=O)O

2-[[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl]prop-2-enoic acid