SMILES
stringlengths 2
835
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stringlengths 6
1.58k
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C(=C/C1CC1)\CNCc1ccccc1
|
(E)-N-benzyl-3-cyclopropylprop-2-en-1-amine
|
O=C1Cc2cc(-c3ccc(-c4ccc(C5=NNNN5)cc4)cc3)c(Cl)cc2N1
|
6-chloro-5-[4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]-1,3-dihydroindol-2-one
|
N.NC1CN(C(c2ccccc2)c2ccccc2)C1
|
azane;1-benzhydrylazetidin-3-amine
|
CCC(=O)N[C@H]1C[C@@H](n2cnc3c(N[C@H]4CCCC4OC)ncnc32)[C@H](O)[C@@H]1O
|
N-[(1S,2R,3S,4R)-2,3-dihydroxy-4-[6-[[(1S)-2-methoxycyclopentyl]amino]purin-9-yl]cyclopentyl]propanamide
|
CN(Cc1ccccc1Cl)c1ccc(N)c(C(=O)O)c1
|
2-amino-5-[(2-chlorophenyl)methyl-methylamino]benzoic acid
|
CC(CNC(N)=NCc1ccc(OC(F)(F)F)cc1)CN1CCCC1.I
|
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
|
Cc1ccccc1N(C)C(=O)C(Nc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1)C1CCNCC1
|
4-bromo-3-(carboxymethoxy)-5-[3-[[2-(N,2-dimethylanilino)-2-oxo-1-piperidin-4-ylethyl]amino]phenyl]thiophene-2-carboxylic acid
|
COCCN1OCCC(N2Cc3ccc(O)c(N)c3C2)O1
|
4-amino-2-[2-(2-methoxyethyl)-1,3,2-dioxazinan-4-yl]-1,3-dihydroisoindol-5-ol
|
COc1ccccc1SCC1(CS)CCCCCC1
|
[1-[(2-methoxyphenyl)sulfanylmethyl]cycloheptyl]methanethiol
|
CCOc1c(CNCC2(O)CCSC2)c(C)nn1CC(C)C
|
3-[[[5-ethoxy-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]thiolan-3-ol
|
OCCNc1ncnc2sc3c(c12)CCNC3
|
2-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-ylamino)ethanol
|
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O
|
(2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]butanamide
|
FC1=CC(C2(c3cc(F)ccc3F)Oc3cc(F)c(CN4CCOCC4)cc3O2)C(F)C=C1
|
4-[[2-(3,6-difluorocyclohexa-2,4-dien-1-yl)-2-(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]methyl]morpholine
|
CCNC(=O)N1C(C)CSC1(C)C
|
N-ethyl-2,2,4-trimethyl-1,3-thiazolidine-3-carboxamide
|
COc1ccc2nc(-n3nc(C)c4c3NC(=O)CC4c3cc(OC)c(OC)c(OC)c3)sc2c1
|
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
|
CNCC(=Cc1c(F)cccc1OC(F)F)B1OC(C)(C)C(C)(C)O1
|
3-[2-(difluoromethoxy)-6-fluorophenyl]-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
|
C[C@@H](Nc1nc(N2CCN(C(=O)[C@H]3CCN3C(=O)O)CC2)ncc1Cl)c1ccc(Cl)cc1Cl
|
(2R)-2-[4-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrimidin-2-yl]piperazine-1-carbonyl]azetidine-1-carboxylic acid
|
C#C/C(C)=C/CN(CC=C)S(=O)(=O)c1ccc(C)cc1
|
4-methyl-N-[(E)-3-methylpent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
|
CC(C)(C)CCCCCCN(CCCCCCC(C)(C)C)C(=N)N(CCCCCCC(C)(C)C)CCCCCCC(C)(C)C
|
1,1,3,3-tetrakis(7,7-dimethyloctyl)guanidine
|
O=C1/C(=C/c2cc(O)c(O)c(Cl)c2)CC/C1=C\c1cc(O)c(O)c(Cl)c1
|
(2E,5E)-2,5-bis[(3-chloro-4,5-dihydroxyphenyl)methylidene]cyclopentan-1-one
|
Cc1cccc(C(CN)N(C)CC2CC3CCC2C3)c1C
|
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,3-dimethylphenyl)-N-methylethane-1,2-diamine
|
O=C(NCCCc1nc2ccccc2n1CC1CC1(Cl)Cl)c1ccco1
|
N-[3-[1-[(2,2-dichlorocyclopropyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
|
COC(=O)CCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(C(C)C)cc3)n(-c3ccc(Cl)cc3)c(=O)c21
|
methyl 3-[1-(4-chlorophenyl)-6,8-dioxo-9-phenyl-2-(4-propan-2-ylphenyl)purin-7-yl]propanoate
|
C[C@@]12CCc3cc(O)ccc3[C@H]1CC(O)(C1(S(=O)c3ccccc3)CCCC1)CC2
|
(4bS,8aS)-6-[1-(benzenesulfinyl)cyclopentyl]-8a-methyl-4b,5,7,8,9,10-hexahydrophenanthrene-2,6-diol
|
Cc1cccc2c(=O)n(CC(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cnc12
|
(3S,6R)-6-methyl-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
|
CCCCc1ccc(CC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1
|
2-(4-butylphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
|
CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(C)C)C(=O)NCC(=O)CCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2CC.CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(C)C)C(=O)NCC(=O)O.CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)CN
|
[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] 2-aminoacetate;[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] 5-[[(2R,5S)-2-(2-methylpropyl)-4-oxo-6-phenyl-5-(propanoylamino)hexanoyl]amino]-4-oxopentanoate;2-[[(2R,5S)-2-(2-methylpropyl)-4-oxo-6-phenyl-5-(propanoylamino)hexanoyl]amino]acetic acid
|
OCc1ccc(CCCS)cc1
|
[4-(3-sulfanylpropyl)phenyl]methanol
|
CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1
|
(2R)-N-methyl-2-[(3-methylphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanamide
|
c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4c5ccccc5nc5c4oc4ccccc45)ccc32)cc1
|
11-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-[1]benzofuro[3,2-b]quinoline
|
CCC1CCCC1n1c(=O)cc(C)c2cnc(Cl)nc21
|
2-chloro-8-(2-ethylcyclopentyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
|
CCCCCC(C)n1c(C(F)(F)F)nc2cc(N)ccc21
|
1-heptan-2-yl-2-(trifluoromethyl)benzimidazol-5-amine
|
CCNC(c1ccccc1F)c1c(OC)cnn1CC
|
N-[(2-ethyl-4-methoxypyrazol-3-yl)-(2-fluorophenyl)methyl]ethanamine
|
C=C/C(=C\N=C(c1ccc(C(C)(C)C)cc1)C(C)C)C1=CC2C(C=C1)c1ccc(-c3cnc(C4=CCC(C(C)(C)C)C=C4)nc3)cc1C21c2ccccc2-c2ccccc21
|
N-[(1E)-2-[7-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)pyrimidin-5-yl]spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-yl]buta-1,3-dienyl]-1-(4-tert-butylphenyl)-2-methylpropan-1-imine
|
CN=Cc1c(N2CCC(NC(C)=O)C2)c(F)cc2c(=O)c(C(=O)O)c3sccn3c12
|
8-(3-acetamidopyrrolidin-1-yl)-7-fluoro-9-(methyliminomethyl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
|
CC(C)Oc1cc(N(CCO)C2CCCCC2)ccc1N
|
2-(4-amino-N-cyclohexyl-3-propan-2-yloxyanilino)ethanol
|
CC[C@H](NC(=O)N(C=N)c1ccc(N)cc1)[C@H](C)OCc1ccccc1
|
1-(4-aminophenyl)-1-methanimidoyl-3-[(2S,3S)-2-phenylmethoxypentan-3-yl]urea
|
COC(=O)Cc1sc(NC(=O)COc2c(C)ccc(C)c2C)nc1C
|
methyl 2-[4-methyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]-1,3-thiazol-5-yl]acetate
|
Nc1ccc(OCC(=O)OCc2cc(F)cc(Br)c2)cc1
|
(3-bromo-5-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
|
CC(C)CC(C(=O)NCCNC(=O)c1cc2ccccc2n1C)n1cccc1
|
1-methyl-N-[2-[(4-methyl-2-pyrrol-1-ylpentanoyl)amino]ethyl]indole-2-carboxamide
|
Clc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1Cl
|
4-chloro-2-(3,4-dichlorophenyl)-1H-benzimidazole
|
Cc1cccc(NC(=O)c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1
|
N-[3-[(3-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
|
CC(C)(C)c1ccc(C(C)(C)C)c(SC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)c1
|
10-(2,5-ditert-butylphenyl)sulfanyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane-1-sulfonic acid
|
COC[C@H]1[C@H](c2ccccc2)O[C@]2(C)CCC(C)=C(SCC=C(C)C)N12
|
(2S,3S,8aR)-3-(methoxymethyl)-6,8a-dimethyl-5-(3-methylbut-2-enylsulfanyl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridine
|
C=CC1CC(c2ccccc2C)OC(C(Cl)(Cl)Cl)=N1
|
4-ethenyl-6-(2-methylphenyl)-2-(trichloromethyl)-5,6-dihydro-4H-1,3-oxazine
|
CCCCCC[n+]1ccccc1CC.[C-]#N
|
2-ethyl-1-hexylpyridin-1-ium;cyanide
|
COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1
|
(3S)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
|
C(=N/N1CCCCCC1)\c1ccccn1
|
(E)-N-(azepan-1-yl)-1-pyridin-2-ylmethanimine
|
CCOc1ccc(NC(=O)c2ccc(NCC(C)C)cn2)cc1
|
N-(4-ethoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
|
Cn1cc(CNCCC2=CCCCC2)c(=O)n(C)c1=O
|
5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
|
Cc1c(C#N)c(O)n(C(C)c2ccccc2)c(=O)c1N=Nc1ccccc1
|
2-hydroxy-4-methyl-6-oxo-5-phenyldiazenyl-1-(1-phenylethyl)pyridine-3-carbonitrile
|
O=C(Nc1ccccc1CCO)c1cc(-c2cncc3ccccc23)c[nH]c1=O
|
N-[2-(2-hydroxyethyl)phenyl]-5-isoquinolin-4-yl-2-oxo-1H-pyridine-3-carboxamide
|
CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1
|
N-[4-(cyanomethyl)phenyl]-4-(N-methylanilino)piperidine-1-carboxamide
|
CC(C)C(=O)N1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1
|
2-(1,3-dimethylbenzimidazol-2-ylidene)-6-[4-(2-methylpropanoyl)piperazin-1-yl]-3,6-dioxohexanenitrile
|
COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1
|
methyl 2-[(2S,4aR,12aS)-8-[(4-fluorobenzoyl)amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate
|
C=CC(=O)Nc1cc(C)ccc1Nc1nc(Nc2ncc(C(F)(F)F)c(OC)n2)ncc1C(F)(F)F
|
N-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylphenyl]prop-2-enamide
|
CN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)O)cn1
|
6-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid
|
COC(C)(C)c1nc(N)c(Br)c(-c2ccccc2)n1
|
5-bromo-2-(2-methoxypropan-2-yl)-6-phenylpyrimidin-4-amine
|
CN1C=CC(Oc2cccc(-c3c[nH]c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)c2)=CC1
|
4-[3-[(1-methyl-2H-pyridin-4-yl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
|
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC2C3(CC[C@]4(C)[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@H](O)C[C@@]24C)C[C@@]32CCC(=O)C(C)(C)[C@H]12
|
[(3R,8R,9S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-oxo-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
|
CCOc1ccc2nc(NC(=O)C3CCc4nc[nH]c4C3)sc2c1
|
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
|
O=C(NC[C@@H]1CC[C@]2(COCCN(Cc3csc4ccccc34)C2)O1)c1cccnc1
|
N-[[(2S,5S)-7-(1-benzothiophen-3-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide
|
CCCCCCCC(CCCC)c1cc(OC)ccn1
|
2-dodecan-5-yl-4-methoxypyridine
|
NC1C[NH2+]CC(N)C1
|
piperidin-1-ium-3,5-diamine
|
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)c(F)c2)cc1
|
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfamoyl)benzamide
|
C#CCN1CCCCC1C(=O)NCC1CCCCC1
|
N-(cyclohexylmethyl)-1-prop-2-ynylpiperidine-2-carboxamide
|
CC1CCC(N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1
|
4-[(4-bromophenyl)sulfonylamino]-N-methyl-N-(4-methylcyclohexyl)benzamide
|
C=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](CC)(CC)C1C2=CC=CCC2CC1CC
|
(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-diethyl-(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane
|
COc1ccc(-n2sc3ccc(Cl)cc3c2=O)cc1
|
5-chloro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
|
CC(C)c1ccc(OCC(=O)Nc2ccc(N(C)CCO)nc2)cc1
|
N-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
|
Brc1ccccc1CNc1nncs1
|
N-[(2-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
|
O=C1[C@H]2[C@@H]3C=C[C@@](CNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)(O3)[C@@H]2C(=O)N1Cc1ccccc1
|
N-[[(3aR,4R,7S,7aR)-2-benzyl-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methyl]-4-nitrobenzenesulfonamide
|
CCC(N)(CC)CNC(=O)C(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C.Cl
|
N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-chloro-4-nitrobenzamide;hydrochloride
|
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCCCC
|
[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] (Z)-octacos-17-enoate
|
O=C(c1cscn1)N1CCC(COc2ccc3nnc(C4CC4)n3n2)C1
|
[3-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
|
CNC(=O)C(C)(C)Cn1cccc(Nc2nn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c1=O
|
N,2,2-trimethyl-3-[2-oxo-3-[[4-oxo-3-[4-(trifluoromethoxy)phenyl]phthalazin-1-yl]amino]pyridin-1-yl]propanamide
|
c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)ccc2c1
|
12-naphthalen-2-yl-9-thia-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
|
CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1
|
(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
|
CC1(C)OB(c2ccnc(N3CCC(F)(F)C3)c2)OC1(C)C
|
2-(3,3-difluoropyrrolidin-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
|
Cc1[nH]nc2cc(F)c(-c3cncc(CN4CCNCC4)c3)cc12
|
6-fluoro-3-methyl-5-[5-(piperazin-1-ylmethyl)pyridin-3-yl]-2H-indazole
|
CN(C(=O)NCCc1cccc(Br)c1)c1ccc(O)cc1
|
3-[2-(3-bromophenyl)ethyl]-1-(4-hydroxyphenyl)-1-methylurea
|
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)O)C1
|
1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxylic acid
|
CC1CCN(C(=O)c2ccccc2NC(=O)CCCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)CC1
|
N,N'-bis[2-(4-methylpiperidine-1-carbonyl)phenyl]pentanediamide
|
CC[C@@H]1CCC[C@H](C)CC[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@@H]2O)[C@H](CC)CCCNC1=O
|
(3R,7S,10S,11R)-10-[(2S,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,11-diethyl-7-methyl-azacyclotetradecan-2-one
|
NC(c1noc(C2CC2)n1)c1cc(Br)c(Cl)s1
|
(4-bromo-5-chlorothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
|
O=C1N(CCS(=O)(=O)c2ccccc2)c2ccccc2C[C@@]12N=C(c1ccc(OCCCO)cc1)O[C@H]2c1ccc(-c2ccccc2)cc1
|
(3S,5'S)-1-[2-(benzenesulfonyl)ethyl]-2'-[4-(3-hydroxypropoxy)phenyl]-5'-(4-phenylphenyl)spiro[4H-quinoline-3,4'-5H-1,3-oxazole]-2-one
|
COCCOCCOc1ccc([S+]2CCOCC2)c2ccccc12
|
4-[4-[2-(2-methoxyethoxy)ethoxy]naphthalen-1-yl]-1,4-oxathian-4-ium
|
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](OC(C)(C)C)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1.Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O)OC(C)(C)C
|
(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-[(2-methylpropan-2-yl)oxy]-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide;1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1,6-diphenylhexan-2-yl]carbamate
|
CCC1CCCC(C(O)Cc2c(C)nn(C)c2C)C1
|
1-(3-ethylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
|
CCOc1ccc(Oc2cc(CNC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)ccn2)cc1
|
N-[[2-(4-ethoxyphenoxy)pyridin-4-yl]methyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
|
CNC(=O)c1cc2c(c(C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C)OC(C)(F)O2
|
N-[2-fluoro-2,4-dimethyl-6-(methylcarbamoyl)-1,3-benzodioxol-5-yl]-2-(3-methylpyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
|
Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)on1
|
3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole
|
C[C@@H]1CN(CCO)C[C@H](C)N1
|
2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethanol
|
C/C(=C\CCOC(=O)Cn1nc(C(C)C)cc1-c1ccc(-c2ccc(CO)c(S(C)(=O)=O)c2)cc1)c1cc(-c2ccc(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2)n(CC(=O)O)n1
|
2-[5-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-3-[(E)-5-[2-[5-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-3-propan-2-ylpyrazol-1-yl]acetyl]oxypent-2-en-2-yl]pyrazol-1-yl]acetic acid
|
CCOC1(c2noc([C@@H](N)[C@@H](C)O)n2)CCOCC1
|
(1S,2R)-1-amino-1-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
|
COc1ccc(OCCNC(=O)C2(C)CC(=O)N=C3C=CC=CN32)cc1
|
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
|
CC(C)(C)OC(=O)N[C@H](C(=O)O[C@H]1[C@@H](O)[C@](C#N)(c2ccc(C(N)=NC=[NH2+])[nH]2)O[C@@H]1COC(=O)Cc1ccccc1)C(C)(C)C
|
[[amino-[5-[(2R,3R,4S,5R)-2-cyano-4-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxy-3-hydroxy-5-[(2-phenylacetyl)oxymethyl]oxolan-2-yl]-1H-pyrrol-2-yl]methylidene]amino]methylideneazanium
|
CCOC(=O)OC1CC(c2ccc3ccccc3c2)N2C=C(Br)C=NC2=N1
|
(7-bromo-4-naphthalen-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-2-yl) ethyl carbonate
|
CC(C)(C)C1CCCN(Cc2cn(CCN)nn2)CC1
|
2-[4-[(4-tert-butylazepan-1-yl)methyl]triazol-1-yl]ethanamine
|
C=CCO[C@@]12Oc3ccc(OC(=O)NCc4ccccc4)cc3[C@H]3[C@H](CCCCO)[C@@H](CCCCO)C=C(C(=NOC(C)(C)C)C[C@@H]1N(CCC)C(=O)OCCOCc1ccccc1)[C@H]32
|
2-phenylmethoxyethyl N-[(1S,9S,10S,15R,16R,17S)-4-(benzylcarbamoyloxy)-15,16-bis(4-hydroxybutyl)-12-[(2-methylpropan-2-yl)oxyimino]-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-propylcarbamate
|
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