SMILES
stringlengths 2
1.18k
| IUPAC
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N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2)C(=O)[C@@H](CC(=O)O)C3)cc1
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2-[(4R)-8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-2-(2-phenylethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid
|
CC(C)(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(N)n1C1CC1
|
2-tert-butyl-3-cyclopropyl-5-(3,4-dichlorophenyl)imidazol-4-amine
|
CC.CN(C(=S)N(c1ccc(/C=C/CO)cc1)C1(C)CCC1)c1ccc(C#N)c(C(F)(F)F)c1
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1-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1-methyl-3-(1-methylcyclobutyl)thiourea;ethane
|
CN1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3cc(C(=O)O)cnc32)CC1
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3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrrolo[2,3-b]pyridine-5-carboxylic acid
|
NCCN1CC2CC3CN(C(=O)N3OS(=O)(=O)O)C2C1=O
|
[4-(2-aminoethyl)-3,10-dioxo-1,4,9-triazatricyclo[6.2.1.02,6]undecan-9-yl] hydrogen sulfate
|
O=C(NCCN1CCOCC1)c1ccc(-c2nc3ccc(Nc4ccc(N5CCCC5)cc4)cc3[nH]2)cc1
|
N-(2-morpholin-4-ylethyl)-4-[6-(4-pyrrolidin-1-ylanilino)-1H-benzimidazol-2-yl]benzamide
|
Cc1cc2c(cc1C)-c1oc(CN(C)C)c(C)c1C(=O)C2=O
|
2-[(dimethylamino)methyl]-3,7,8-trimethylbenzo[g][1]benzofuran-4,5-dione
|
C=C(C)C(=O)O.O=NO
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2-methylprop-2-enoic acid;nitrous acid
|
NC(N)=NCCC[C@H](NC(=O)Cc1ccc(CNC=O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCCS
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(3S)-3-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-(formamidomethyl)phenyl]acetyl]amino]pentanoyl]amino]-4-oxo-4-(2-sulfanylethylamino)butanoic acid
|
Cn1cc(Cn2cc(CN3CC(NC(=O)c4cn(C5CC5)nn4)C3)cn2)cn1
|
1-cyclopropyl-N-[1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]triazole-4-carboxamide
|
NCc1nc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cs1
|
2-(aminomethyl)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
|
C[C@@H]1[C@H](c2ccc(F)c(F)c2OC(F)F)[C@@H](C(=O)Nc2ccc(C(N)=O)nc2)O[C@]1(C)C(F)(F)F
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5-[[(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
|
CO[C@@H](Cc1ccc(O[C@H](C)CCOc2ccc(Oc3ccccc3)c(C)c2)cc1)C(=O)O
|
(2S)-2-methoxy-3-[4-[(2R)-4-(3-methyl-4-phenoxyphenoxy)butan-2-yl]oxyphenyl]propanoic acid
|
CCCC(=O)ONC(=O)c1ccccc1
|
benzamido butanoate
|
COc1ccc(Br)cc1CCOCCNC1CC1
|
N-[2-[2-(5-bromo-2-methoxyphenyl)ethoxy]ethyl]cyclopropanamine
|
CC(CNCC(C)C1CNC1)C1CC1
|
N-[2-(azetidin-3-yl)propyl]-2-cyclopropylpropan-1-amine
|
CCCCCC[C@H](O)CCCC(=O)OC
|
methyl (5S)-5-hydroxyundecanoate
|
CC(C)(C)C1C(=O)c2ccccc2S1(=O)=O
|
2-tert-butyl-1,1-dioxo-1-benzothiophen-3-one
|
O=S(=O)(Cc1ccc(Cl)cc1)N1CCC(Oc2ccccn2)C1
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2-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxypyridine
|
CC1CC(=O)N(C(C)C)C=C1C(=O)O
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4-methyl-2-oxo-1-propan-2-yl-3,4-dihydropyridine-5-carboxylic acid
|
CCOC(=O)C(C(=O)OCC)=C(C)c1cccc([N+](=O)[O-])c1
|
diethyl 2-[1-(3-nitrophenyl)ethylidene]propanedioate
|
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccncc1F
|
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
|
CC(CC(=O)Nc1ccccn1)(C(=O)O)c1ccccc1
|
2-methyl-4-oxo-2-phenyl-4-(pyridin-2-ylamino)butanoic acid
|
COCCNCC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
|
1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-(2-methoxyethylamino)ethanone
|
CCCCc1nc(Cl)nc(NC2CCC2)n1
|
4-butyl-6-chloro-N-cyclobutyl-1,3,5-triazin-2-amine
|
CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
|
N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
|
NC(=O)c1cc(N)cc(Cl)c1NCc1ccc(F)c(Cl)c1
|
5-amino-3-chloro-2-[(3-chloro-4-fluorophenyl)methylamino]benzamide
|
C=C(C(Nc1ccc2nc[nH]c2c1)c1ccc(Br)cc1)N(CCCN1CCCC1=O)/N=N\N
|
1-[3-[[(Z)-aminodiazenyl]-[3-(3H-benzimidazol-5-ylamino)-3-(4-bromophenyl)prop-1-en-2-yl]amino]propyl]pyrrolidin-2-one
|
CC1C=C(n2c(C(C)C)cc3cc4c(cnn4C4CCCCO4)cc32)C=C(C(F)(F)F)C1
|
5-[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole
|
Nc1onc(C2Cc3ccccc32)c1-c1ccccc1F
|
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
|
CCOC(=O)Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1Br
|
ethyl 2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]acetate
|
CCN(C)C(=O)c1ccc(OC)c(O)c1
|
N-ethyl-3-hydroxy-4-methoxy-N-methylbenzamide
|
C/C(=C\c1ccccc1)C1CC1NCC1CCN(CCC(=O)O)CC1.Cl.Cl
|
3-[4-[[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid;dihydrochloride
|
COC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21
|
methyl 2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-1-yl]acetate
|
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2C)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1.C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2C)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2CC)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
|
tert-butyl (3S)-3-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxyquinoxalin-2-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
|
Cc1ccccc1-n1nc(C(=O)O)c(/C=C\c2ccc(Cl)cc2Cl)c(C#N)c1=O
|
5-cyano-4-[(Z)-2-(2,4-dichlorophenyl)ethenyl]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylic acid
|
CNC1(CCNC2CCCCCC2)CCCCC1
|
N-[2-[1-(methylamino)cyclohexyl]ethyl]cycloheptanamine
|
COc1cccc2c1C(=O)C(=NO)C2(C)C
|
2-hydroxyimino-7-methoxy-3,3-dimethylinden-1-one
|
O=C(O)C1CCC(CNC2(C(F)(F)F)CC2)O1
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5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]oxolane-2-carboxylic acid
|
CC(=O)c1cc(Br)c2c(ccn2C)c1
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1-(7-bromo-1-methylindol-5-yl)ethanone
|
O=C(O)CC1CCC(NC(=O)C(C2CCCCC2)C2(c3ccc(Cl)cc3)Nc3cc(F)c(F)cc3N2)CC1
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2-[4-[[2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexylacetyl]amino]cyclohexyl]acetic acid
|
CCOc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1
|
(5Z)-5-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
|
CC1=CC=C(C(O)(c2ccc([NH2+]c3ccc(F)cc3)c(C=N)c2)C(F)(F)F)S1(=O)=O
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(4-fluorophenyl)-[2-methanimidoyl-4-[2,2,2-trifluoro-1-hydroxy-1-(5-methyl-1,1-dioxothiophen-2-yl)ethyl]phenyl]azanium
|
CC(C)(C)c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccc(C(=O)S)cc41)-c1ccc(C(C)(C)C)cc1-3)c1ccc(C(=O)CS)cc21
|
15,33-ditert-butyl-24-(2-sulfanylacetyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6-carbothioic S-acid
|
CCOC(=O)CCCCC(Cl)(Cl)C(=O)OCC
|
diethyl 2,2-dichloroheptanedioate
|
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1
|
benzyl (3S)-3-[[(2S)-1-methoxy-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
|
CCOC(=O)c1cc(CSc2nc3ccccc3o2)no1
|
ethyl 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2-oxazole-5-carboxylate
|
Cc1cc2c3c(c1)N(c1ccc4c(c1)oc1ccccc14)c1cc(N4c5cc6c(cc5C5(C)CCCCC45C)C(C)(C)CCC6(C)C)ccc1B3c1cc(C(C)(C)C)cc3c1C2CC1(C)CCCCC31C
|
6-(4a,7,7,10,10,11b-hexamethyl-1,2,3,4,8,9-hexahydrobenzo[b]carbazol-5-yl)-25-tert-butyl-9-dibenzofuran-3-yl-12,17,22-trimethyl-9-aza-2-boraheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3(8),4,6,10,12,14(28),23(27),24-nonaene
|
NC1CCC(NC(=O)C2N(S(=O)(=O)c3ccc(F)cc3)CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1
|
N-(4-aminocyclohexyl)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide
|
CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)[Se]c2ccccc21
|
(2Z)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazole
|
CC(C)C(CNC(=O)CN(C)c1ncccn1)C(C)C
|
N-(3-methyl-2-propan-2-ylbutyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
|
Cc1cc2c(cc1C)N(C)C1=NC(=O)N(CC(=O)O)C(=O)C1(CC(C)(C)O)N2
|
2-[4a-(2-hydroxy-2-methylpropyl)-7,8,10-trimethyl-2,4-dioxo-5H-benzo[g]pteridin-3-yl]acetic acid
|
Cc1c(CCC(=O)O)cccc1NC(=O)C(c1ccc(Br)cc1)C1CC1
|
3-[3-[[2-(4-bromophenyl)-2-cyclopropylacetyl]amino]-2-methylphenyl]propanoic acid
|
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
|
(2R)-N-ethyl-2-[(3-methoxyphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]propanamide
|
CCOC(=O)NNC(=O)COc1ccc(Cl)c2ccccc12
|
ethyl N-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]carbamate
|
N#Cc1ccc(Cn2cncc2CNC(=O)C(N)=O)cc1F
|
N'-[[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methyl]oxamide
|
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CCc2ccc(OC)c(OC)c2)cc1
|
4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
|
CC(C)[C@@H]1CCC(C)(C)[C@H](/C=C/[C@@H](O)CC(=O)CC(=O)OC(C)(C)C)[C@H]1COCc1ccccc1
|
tert-butyl (E,5S)-7-[(1R,5S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-5-propan-2-ylcyclohexyl]-5-hydroxy-3-oxohept-6-enoate
|
C[n+]1ccc(/C=C/c2nc3ccccc3[nH]2)cc1.[I-]
|
2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-benzimidazole;iodide
|
Cc1cccc([N+](=O)[O-])c1NC=O.O=CO
|
formic acid;N-(2-methyl-6-nitrophenyl)formamide
|
Cc1ccc(N2C=[N+](C)c3ccc(C)cc3C2)cc1.[I-]
|
1,6-dimethyl-3-(4-methylphenyl)-4H-quinazolin-1-ium;iodide
|
c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4B4c5cc(-c6ccccc6-c6ccccc6)ccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)cc3c54)c2)cc1
|
11-(2,6-diphenylphenyl)-8,14-bis(3,5-diphenylphenyl)-4-(2-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
|
CC(=S)C(C)C(=S)C(=O)O
|
3-methyl-2,4-bis(sulfanylidene)pentanoic acid
|
CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncncc4C(N)=O)c3)cnc2n1
|
4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carboxamide
|
CC(C)(C)NCCSSCCC(=O)C(C)(C)C
|
1-[2-(tert-butylamino)ethyldisulfanyl]-4,4-dimethylpentan-3-one
|
COC(=[NH2+])c1ccnc2ccccc12.[Cl-]
|
[methoxy(quinolin-4-yl)methylidene]azanium;chloride
|
CC(C)CN(/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)C
|
(Z)-3-[bis(2-methylpropyl)amino]-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile
|
COc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(F)c3)nc12
|
3-fluoro-N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
|
CCCc1c(C)c(NC(=O)/C=C\C(C)=O)c(C)c(C)c1CC(=O)/C=C\C(=O)OC
|
methyl (Z)-4-oxo-5-[2,3,5-trimethyl-4-[[(Z)-4-oxopent-2-enoyl]amino]-6-propylphenyl]pent-2-enoate
|
C#CC1=C(CCCN(C(C)CC)C(C)c2ccccc2)CC(C)(c2ccccc2)C(c2ccccc2)=C1
|
N-[3-(2-ethynyl-5-methyl-4,5-diphenylcyclohexa-1,3-dien-1-yl)propyl]-N-(1-phenylethyl)butan-2-amine
|
COC(=O)c1cc(Cl)ccc1Oc1ccccc1Br
|
methyl 2-(2-bromophenoxy)-5-chlorobenzoate
|
CN=C(NCC1CCN(c2ccccc2OC)C1)NC1CCN(c2ccccc2OC)C1
|
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine
|
COCCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(OC)c21
|
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonylbenzamide
|
Nc1ncnn1C(=S)NCCc1ccccc1
|
5-amino-N-(2-phenylethyl)-1,2,4-triazole-1-carbothioamide
|
CCCCCCCCCCCCC/C=C/OCC
|
(E)-1-ethoxypentadec-1-ene
|
CCC(N)C(c1cc(Br)cs1)N(C)Cc1nccn1C
|
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
|
CC1CCN(C(=O)COC(=O)[C@H]2COc3ccccc3O2)CC1
|
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
|
COc1ccc(NC(N)=NCc2ccc(C#N)cc2)cc1Cl
|
1-(3-chloro-4-methoxyphenyl)-2-[(4-cyanophenyl)methyl]guanidine
|
COCCN1CC[C@@H](CNC(=O)c2cccc(-c3cncnc3)c2)C1
|
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-pyrimidin-5-ylbenzamide
|
CCO/C(CC(=O)NCc1ccc(Br)cc1)=N\Nc1ccccc1[N+](=O)[O-]
|
ethyl (1Z)-3-[(4-bromophenyl)methylamino]-N-(2-nitrophenyl)-3-oxopropanehydrazonate
|
CN1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1
|
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
|
CCc1cc(O)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](O)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2cnccc2-c2ccccc2C)C(N)=O)cc1
|
(4S)-5-[[2-[[(2S,3R)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-[4-(2-methylphenyl)pyridin-3-yl]-1-oxopropan-2-yl]amino]-3-[4-(2-ethyl-4-hydroxyphenyl)phenyl]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(2-fluorophenyl)-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-1-[(2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoyl]-2-methylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
|
CC(C)CC(C(=O)OCC(O)=C(C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O
|
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
|
COc1ccc(Cn2cccn2)cc1-c1nnc(NS(=O)(=O)c2c(OC)cccc2OC)s1
|
2,6-dimethoxy-N-[5-[2-methoxy-5-(pyrazol-1-ylmethyl)phenyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
|
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCC1CCC2(CCCCC2)O1
|
N-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
|
Cc1cc(NC(=O)CN(C)S(=O)(=O)CBr)no1
|
2-[bromomethylsulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
|
CC(C)Oc1ccc(-c2ccncc2C(=O)O)cc1
|
4-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
|
Clc1ccc(OCCNC2CCCC2)c2ccccc12
|
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]cyclopentanamine
|
COc1ccc(NC(=O)C(NC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1
|
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]prop-2-enamide
|
CCN(CCO)C(=O)C(=O)Nc1c(F)cccc1F
|
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
|
Cc1cc(C)n(CCn2cc(Br)cn2)n1
|
1-[2-(4-bromopyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
|
COCCCCCOc1ccc(-c2nn3cc(-c4ccc(C(=O)NC5CC(O)CNC(=O)C6C(O)C(C)CN6C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c6ccc(O)c(OSOO[O-])c6)NC(=O)C6CC(O)CN6C(=O)C(C(C)O)NC5=O)cc4)nc3s2)cc1.[Na+]
|
sodium;N-[3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-(4-hydroxy-3-oxidoperoxysulfanyloxyphenyl)ethyl]-11,20,25-trihydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[2-[4-(5-methoxypentoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzamide
|
CC1CCCC(CO)(n2cnnc2)C1
|
[3-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanol
|
CCOc1ccc(C(C)Nc2ccccc2[N+](=O)[O-])cc1
|
N-[1-(4-ethoxyphenyl)ethyl]-2-nitroaniline
|
O=C([O-])c1cc(Cl)ccc1OCc1ccccc1Cl
|
5-chloro-2-[(2-chlorophenyl)methoxy]benzoate
|
O=C1OC(c2ccc(I)c(Br)c2)=N/C1=C\c1ccccc1
|
(4Z)-4-benzylidene-2-(3-bromo-4-iodophenyl)-1,3-oxazol-5-one
|
CCC1C(C(C)=O)C1(C)C
|
1-(3-ethyl-2,2-dimethylcyclopropyl)ethanone
|
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3N3CCCN23)cc1
|
(2S,6R,7S)-7-(4-methoxyphenyl)-4-(3-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
|
CCC1O[C@@H](O[C@@H]2C(OC(=O)c3ccccc3)[C@H](O[C@@H]3C(CC)O[C@@H](OCc4ccccc4)C(OC(=O)c4ccccc4)[C@H]3C)OC(CO)[C@@H]2O)C(NC(C)=O)[C@@H](C)[C@@H]1O[C@@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1OC(C)=O.CCC1O[C@@H](O[C@@H]2C(OC(=O)c3ccccc3)[C@H](O[C@@H]3C(CC)O[C@@H](OCc4ccccc4)C(OC(=O)c4ccccc4)[C@H]3C)OC(CO[C@@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C4OC(C)=O)[C@H](C)C3C)[C@@H]2O)C(NC(C)=O)[C@@H](C)[C@@H]1O[C@@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1OC(C)=O.CCC1O[C@@H]2OC(C)=NC2[C@@H](C)[C@@H]1O[C@@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1OC(C)=O
|
[(2R,4S,5S)-5-[(2R,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2R,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxy-6-ethyl-4-methyloxan-2-yl]oxy-6-[[(2R,4R,5S)-6-(acetyloxymethyl)-5-[(2R,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxymethyl]-3-benzoyloxy-5-hydroxyoxan-2-yl]oxy-6-ethyl-4-methyl-2-phenylmethoxyoxan-3-yl] benzoate;[(2R,4S,5S)-5-[(2R,4S,5S)-4-[(2S,4R,5S)-3-acetamido-5-[(2R,4S,5R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxy-6-ethyl-4-methyloxan-2-yl]oxy-3-benzoyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-2-phenylmethoxyoxan-3-yl] benzoate;[(3R,4S,6R)-3,5-diacetyloxy-6-[[(3aR,6S,7R)-5-ethyl-2,7-dimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-4-methyloxan-2-yl]methyl acetate
|
C=CCO[C@@]12Oc3ccc(OCCSc4ccccc4)cc3[C@H]3[C@H](CCCCO)[C@@H](CCCCO)C=C(C(=NOCC)C[C@@H]1N(C)C(=O)c1ccc(C#N)cc1)[C@H]32
|
4-cyano-N-[(1S,9S,10S,15R,16R,17S)-12-ethoxyimino-15,16-bis(4-hydroxybutyl)-4-(2-phenylsulfanylethoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-methylbenzamide
|
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