SMILES
stringlengths 2
756
| IUPAC
stringlengths 6
1.26k
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|---|---|
Cc1cc(N2CCN(c3ccc(NC(=O)Cc4c(-c5ccccc5)cc5ccccn45)cc3)CC2)nc(C)n1
|
N-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]phenyl]-2-(2-phenylindolizin-3-yl)acetamide
|
CC1(CC(=O)O[C@@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N(C2CCCCC2)C2CCCCC2)C3(C)C)OCCc2c1[nH]c1ccccc21
|
[(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
|
CCCCNC1=C(N2CC2)C(=O)c2ccccc2C1=O
|
2-(aziridin-1-yl)-3-(butylamino)naphthalene-1,4-dione
|
O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](C(F)(F)F)C1
|
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
|
CC(C)(C)C(=O)NC(=CSc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
|
[2-(4-chlorophenyl)sulfanyl-1-(2,2-dimethylpropanoylamino)ethenyl]-triphenylphosphanium
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CC(O)=CC(C)O.CC(O)=CC(C)O.CC(O)=CC(C)O.CC(O)=CC(C)O.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncc(-c3ccccc3)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncnc(C(C)C)n2)cc(C)c1.Cc1ncnc(-c2[c-]c(C(C)C)cc(C(C)C)c2)n1.[Ir].[Ir].[Ir].[Ir]
|
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-phenylpyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-propan-2-yl-1,3,5-triazine;2-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4-methyl-1,3,5-triazine;iridium;pent-2-ene-2,4-diol
|
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)CC(C)(C)O2
|
(2R)-2-benzylsulfanyl-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CCCCCCC
|
[2-[(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoyl]oxy-3-hydroxypropyl] (28Z,31Z,34Z)-dotetraconta-28,31,34-trienoate
|
CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(CN(C)C)cc2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
|
N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-4-[(dimethylamino)methyl]benzamide
|
Cc1ccc(C(=O)NCCC(C)(C)C(=O)O)cc1NC(=O)c1ccccc1
|
4-[(3-benzamido-4-methylbenzoyl)amino]-2,2-dimethylbutanoic acid
|
CCCC1(CNC2C3C4CCC(C4)C23)CCNC1
|
N-[(3-propylpyrrolidin-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
|
COOSc1cccc(C2=CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1
|
N-[2-[[1-[4-(3-methylperoxysulfanylphenyl)cyclohex-3-en-1-yl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
|
CC(CC#N)n1cc(-c2ccnc3c2C=CCN3)cn1
|
3-[4-(7,8-dihydro-1,8-naphthyridin-4-yl)pyrazol-1-yl]butanenitrile
|
O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@@H]2CCCC[C@@H]2C1
|
1-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]pyrrolidin-2-one
|
CCOC(=O)CCNCc1cc(C(C)=O)ccc1OCC
|
ethyl 3-[(5-acetyl-2-ethoxyphenyl)methylamino]propanoate
|
CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)B2c3ccccc3N(c3ccccc3)c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc(c32)N5c2ccccc2)cc1
|
15-N,15-N,25-N,25-N-tetrakis(4-tert-butylphenyl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
|
O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1cccc(C(F)(F)F)c1
|
2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
|
CC(C)(C)n1nc(F)c(I)c1C(F)F
|
1-tert-butyl-5-(difluoromethyl)-3-fluoro-4-iodopyrazole
|
COC1=CC2=NC(=O)N(C3CC3)C(=O)C2C=C1OC
|
3-cyclopropyl-6,7-dimethoxy-4aH-quinazoline-2,4-dione
|
CC1CN(c2n[nH]c(Cc3ccc(F)cc3)n2)CCN1
|
1-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
|
COc1c(C)c(C)c(-c2noc(CN)n2)c(C)c1Br
|
[3-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
|
Cc1cccc(NC(=O)c2cc3c(=O)c4ccccc4oc3o2)c1
|
N-(3-methylphenyl)-4-oxofuro[2,3-b]chromene-2-carboxamide
|
Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1
|
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,5-dimethylphenyl)benzamide
|
NCC[C@@H](O)c1ccc([N+](=O)[O-])cc1Br
|
(1R)-3-amino-1-(2-bromo-4-nitrophenyl)propan-1-ol
|
O=C(c1cccs1)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12
|
1-(2,3-dihydroindol-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
|
CCCn1c(Cn2ccnc2-c2cc(C#N)ccc2F)nc2cccnc21
|
4-fluoro-3-[1-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]imidazol-2-yl]benzonitrile
|
CC1(C)CCCC1C(O)Cc1cc(F)cc(F)c1
|
2-(3,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanol
|
Clc1cccc([C@H](C2CCOCC2)N2CCNCC2)c1Cl
|
1-[(S)-(2,3-dichlorophenyl)-(oxan-4-yl)methyl]piperazine
|
C[C@H](O)c1ccc(Br)cc1OCc1ccccc1Br
|
(1S)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
|
CCCCCCCCC/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
|
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-icosanoyloxypropan-2-yl] (Z)-henicos-11-enoate
|
CC1(C)OB(c2ccc3oc(=O)n(CS(C)(=O)=O)c3c2)OC1(C)C
|
3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one
|
COc1cccc(N)c1C(=O)NCc1cccnc1
|
2-amino-6-methoxy-N-(pyridin-3-ylmethyl)benzamide
|
CCOc1cc(/C=C2\SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1
|
4-[[(5Z)-5-[[2-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
|
CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C#N)cc2Br)C1=O)NC(=O)OC(C)(C)C
|
tert-butyl N-[4-[[(3R)-1-[[2-bromo-4-(2-cyanophenyl)phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-2-methyl-4-oxobutan-2-yl]carbamate
|
CC(Sc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
|
5-[2-[3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chlorobenzoic acid
|
CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]21.O.O.O.O.O.O.O.[Na+]
|
sodium;(6S,7S)-7-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;heptahydrate
|
COC(=O)[C@@H](OC(=O)c1ccccc1)[C@@]1(OC)CC2(SCCS2)[C@@H](C)[C@@H](C)O1
|
[(1S)-2-methoxy-1-[(6S,7R,9R)-9-methoxy-6,7-dimethyl-8-oxa-1,4-dithiaspiro[4.5]decan-9-yl]-2-oxoethyl] benzoate
|
CC1CC(N)=NC2C1[C@H]2Cl
|
(7R)-7-chloro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
|
Cc1n[nH]c(=S)n1/N=C\c1ccc2[nH]c3ccccc3c2c1
|
4-[(Z)-9H-carbazol-3-ylmethylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
|
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O
|
4-[[4-[(Z)-[3-[(2R)-1-ethoxy-1-oxopropan-2-yl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
|
CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1
|
4-butoxy-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
|
CC(C#N)CN(C)C(=O)C1CCC(C(F)(F)F)CC1
|
N-(2-cyanopropyl)-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
|
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C
|
ethyl (2E,5S)-2-[[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
|
CCOC(=O)[C@@H]1C[C@@]1(Br)Cn1cnc(C(=O)OC)c1C(=O)OC
|
dimethyl 1-[[(1S,2S)-1-bromo-2-ethoxycarbonylcyclopropyl]methyl]imidazole-4,5-dicarboxylate
|
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC[C@@H]2C)c1
|
methyl 4-methoxy-3-[[2-[(2S)-2-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
|
COC1(C)CCN(c2ccc(CN3C(=O)c4cccc(c4)S(=O)(=O)Nc4nc(cc(-c5c(C)cccc5C)n4)OC[C@H]3CC(C)(C)C)nc2)CC1
|
(11R)-6-(2,6-dimethylphenyl)-11-(2,2-dimethylpropyl)-12-[[5-(4-methoxy-4-methylpiperidin-1-yl)pyridin-2-yl]methyl]-2,2-dioxo-9-oxa-2λ6-thia-3,5,12,19-tetrazatricyclo[12.3.1.14,8]nonadeca-1(17),4,6,8(19),14(18),15-hexaen-13-one
|
O=c1cc2oc(-c3ccc(O)cc3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](COC(=[OH+])C=Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)cc-2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
|
[1-[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-7-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-(4-hydroxyphenyl)prop-2-enylidene]oxidanium
|
COc1ccc(O)c(C(=S)S)c1
|
2-hydroxy-5-methoxybenzenecarbodithioic acid
|
CCCn1c(CC(=O)C2CCC(N)C2)nc2ccccc21
|
1-(3-aminocyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
|
CCCCC(CC)C(=O)c1ccc(Br)o1
|
1-(5-bromofuran-2-yl)-2-ethylhexan-1-one
|
O=C1C[C@H](C(=O)O)Cc2ccsc21
|
(5R)-7-oxo-5,6-dihydro-4H-1-benzothiophene-5-carboxylic acid
|
CC(C)(C)S(C)(=O)=NC(=O)c1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1
|
N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)-7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
|
CC(C)(C)C(=O)n1c(N)nc2ccccc21
|
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
|
CC1C(CO)CN1C#N
|
3-(hydroxymethyl)-2-methylazetidine-1-carbonitrile
|
O=C(C1CC1c1cccc(C(F)(F)F)c1)N1CCCC(N2CCNCC2=O)C1
|
1-[1-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]piperazin-2-one
|
O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(N2CC=CC2)C1
|
[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-[1-(4-nitrophenyl)pyrazol-3-yl]methanone
|
CC1CCCCC(=O)CC1C
|
3,4-dimethylcyclooctan-1-one
|
O=Cc1cc[nH+]c2ccccc12
|
quinolin-1-ium-4-carbaldehyde
|
C[N+](C)(CC=CC1=C(C(=O)O)N2C(=O)C[C@@H]2SC1)[C@H](CO)C(N)=O
|
[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-[3-[(6S)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethylazanium
|
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
|
[(2S)-1-octadecanoyloxy-3-octanoyloxypropan-2-yl] 20-methylhenicosanoate
|
CC1C(C(F)(F)F)C(C)[C@@H](C)C1C(F)(F)F.CC1C(F)C(F)[C@@H](C)C1F.CC1CC(C(F)(F)F)C(C(F)(F)F)C(C(F)(F)F)C1.CC1CC(C(F)(F)F)CC(C(F)(F)F)C1.CC1CCCC(C(F)(F)F)[C@@H]1C.CC1C[C@H](C)CC1C(F)(F)F.C[C@H]1C(F)(F)C(C)(F)C(F)(F)C1(F)F.[2H]C1(C)CC(C(F)(F)F)CC(C(F)(F)F)C1.[2H][C@@]1(C)C(C)CCCC1C(F)(F)F
|
(1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;5-methyl-1,2,3-tris(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane
|
Cc1ccc(N([C@H](C)C(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1C
|
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
|
CCN(CC)C(=O)COc1ccc(NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1Cl
|
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
|
CCN1CCOC(CNC)C1c1ccc(OC)c(F)c1
|
1-[4-ethyl-3-(3-fluoro-4-methoxyphenyl)morpholin-2-yl]-N-methylmethanamine
|
COCCNCc1ccc(Cl)c(N)c1
|
2-chloro-5-[(2-methoxyethylamino)methyl]aniline
|
O=C1COc2ccc(C(=O)CSc3ccccc3Cl)cc2N1
|
6-[2-(2-chlorophenyl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one
|
COc1ccc(-n2ncc3c2-c2ccccc2OC3c2ccc(Cl)cc2)cc1
|
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-4H-chromeno[4,3-c]pyrazole
|
COCc1nc(-c2ccc(C(C)C)cc2)no1
|
5-(methoxymethyl)-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
|
O=C(O)C1C=Nc2nc(N3CCNCC3)ccc2C1=O
|
4-oxo-7-piperazin-1-yl-3H-1,8-naphthyridine-3-carboxylic acid
|
Cc1c(Cl)ccc(CC(C)CN)c1F
|
3-(4-chloro-2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
|
CC(C)=CCCc1cc(C(=O)C=Cc2ccc3c(c2)C=CC(C)(C)O3)ccc1O
|
3-(2,2-dimethylchromen-6-yl)-1-[4-hydroxy-3-(4-methylpent-3-enyl)phenyl]prop-2-en-1-one
|
CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)nc21.CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc21.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)C(C)(C)c4ccccc4-5)c3)c21
|
12-[2-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;12-[3-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
|
CC(=Cc1ccco1)/C=N\NC(=O)c1cccs1
|
N-[(Z)-[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]thiophene-2-carboxamide
|
Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(NCC(=O)c5ccccc5)ccc4n3CCc3cccnc3)s2)o1
|
5-(2-methyl-1,3-oxazol-5-yl)-N-[5-(phenacylamino)-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
|
Cc1ccsc1C(=O)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1
|
(3-methylthiophen-2-yl)-[(7R)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
|
NCCCCCC(=O)N(C(=O)[C@H](CCCN=C(N)N)Nc1cnccn1)[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C=O
|
6-amino-N-[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]-N-[(2S)-5-(diaminomethylideneamino)-2-(pyrazin-2-ylamino)pentanoyl]hexanamide
|
[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4nc(C)c(C)s4)cc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)n1
|
N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-5-[(6-isocyanopyridin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
|
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)C(C)(F)[C@H]1O)Oc1ccccc1
|
propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
|
CC(NC(=O)CCCn1cc(CCCCNC(=S)Nc2ccc(O[C@H]3O[C@H](CCP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]3O)cc2)nn1)C(=O)NC(C)C(=O)NC(C)C(=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F
|
2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[4-[4-[1-[4-oxo-4-[[1-oxo-1-[[1-oxo-1-[[1-oxo-1-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butyl]triazol-4-yl]butylcarbamothioylamino]phenoxy]oxan-2-yl]ethylphosphonic acid
|
CC1(C(=O)N[C@@H](Cc2ccc(C(O)c3ccccc3)cc2)C(=O)O)CCC(C(=O)O)C1(C)C
|
3-[[(1S)-1-carboxy-2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]carbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
|
CCCCNc1ncc2c(-c3ccc(N4CCCC4=O)cc3)nn(C3CCC(O)CC3)c2n1
|
1-[4-[6-(butylamino)-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]pyrrolidin-2-one
|
CCOC(OCC)c1c(N)nc[nH]c1=O
|
4-amino-5-(diethoxymethyl)-1H-pyrimidin-6-one
|
CCCCSC(C)C(=O)Nc1ccc(F)c(F)c1
|
2-butylsulfanyl-N-(3,4-difluorophenyl)propanamide
|
C[C@H]1NC(=O)[C@@H]2C[C@H]2CCCCCn2c(-c3nc4cc(C(=O)N5C[C@H](N)[C@@H]6CC[C@H]5C6)cc(F)c4n3C3CC3)cc3ccc1nc32
|
(2R,5R,7R)-14-[5-[(1S,4R,5R)-4-amino-2-azabicyclo[3.2.1]octane-2-carbonyl]-1-cyclopropyl-7-fluorobenzimidazol-2-yl]-2-methyl-3,13,19-triazatetracyclo[11.5.2.05,7.016,20]icosa-1(19),14,16(20),17-tetraen-4-one
|
C/C=C/CS(=O)(=O)[C@H](C)C(=O)N(C)c1ccccc1
|
(2R)-2-[(E)-but-2-enyl]sulfonyl-N-methyl-N-phenylpropanamide
|
CCOC(CN)CC(=O)NCc1ccccc1C
|
4-amino-3-ethoxy-N-[(2-methylphenyl)methyl]butanamide
|
CCOC1CCCc2nc(-c3ccc(CN)c([N+](=O)[O-])c3)sc21
|
[4-(7-ethoxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-nitrophenyl]methanamine
|
CC(C)(C)OC(=O)NC1CC(CC(=O)NN)C1.COC(=O)[C@H](C)O.C[C@H](O)c1nnc(CC2CC(N)C2)s1.C[C@H](O)c1nnc(CC2CC(N)C2)s1.C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)CC1CC(NC(=O)OC(C)(C)C)C1.C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[O-].Cl.Cl.[Li+]
|
lithium;(1S)-1-[5-[(3-aminocyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]ethanol;tert-butyl N-[3-[3-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-2-oxopropyl]cyclobutyl]carbamate;(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;tert-butyl N-[3-(2-hydrazinyl-2-oxoethyl)cyclobutyl]carbamate;methyl (2S)-2-hydroxypropanoate;dihydrochloride
|
COc1ccc(CO[C@H](CC(O)Cc2cc(=O)cco2)[C@@H](C)COCc2ccccc2)cc1
|
2-[(4R,5S)-2-hydroxy-4-[(4-methoxyphenyl)methoxy]-5-methyl-6-phenylmethoxyhexyl]pyran-4-one
|
CCCCC(C)C(NC(=O)c1ccc(C#N)cc1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
|
ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2,4-trimethyloctanoyl]amino]-3-phenylpropanoate
|
CCOC(=O)C(N)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1
|
ethyl 2-amino-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propanoate
|
CCCC[C@H](C)c1ncc(-c2ccc3c(c2)cc2n3C(c3ccccc3)Cc3cc(/C(C)=C/N=C(C)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)ccc3-2)[nH]1
|
methyl N-[(2S)-1-[(2S)-2-[N-[(E)-2-[10-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]-6-phenyl-5,6-dihydroindolo[2,1-a]isoquinolin-3-yl]prop-1-enyl]-C-methylcarbonimidoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
|
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CC(C)(C)NC4(C)C)cc2)CC1
|
ethyl 1-[4-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylate
|
CC(C)c1ccc(/C=C/c2cccc[n+]2CCN=O)cc1
|
1-(2-nitrosoethyl)-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium
|
Nc1cc(C(=O)O)ccc1Cc1ccccc1C(F)(F)F
|
3-amino-4-[[2-(trifluoromethyl)phenyl]methyl]benzoic acid
|
COc1cc(/C=C/c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)c(OC)cc1/C=C/c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
|
2-[4-[(E)-2-[4-[(E)-2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]-4,5-diphenyl-1H-imidazole
|
COC(=O)CCNC1C(OC)OC(CO)C(OC2OC(CO)C(C)C(O)C2N)C1O
|
methyl 3-[[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]propanoate
|
CC[C@H]1CCCN(C(=O)Nc2ccc(C)cc2Br)C1
|
(3S)-N-(2-bromo-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
|
COc1ccc(C)cc1NC(=O)c1ccc(C(=O)Nc2cc(C)ccc2C)cc1
|
1-N-(2,5-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
|
CCCCN(CCO)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
|
4-amino-N-butyl-2,6-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
|
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