AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-21

SMILES stringlengths 2 756	IUPAC stringlengths 6 1.26k
CCCCCCC(Sc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccon1	2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(1,2-oxazol-3-yl)octanamide
Cc1csc2c1CCNCC2	3-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
O=C(O)c1c2ccccc2[n+]([O-])c2oc3ccccc3c12	6-oxido-[1]benzofuro[2,3-b]quinolin-6-ium-11-carboxylic acid
BrC1(C(=C2CC2)C2(Br)CC2)CC1	1-bromo-1-[(1-bromocyclopropyl)-cyclopropylidenemethyl]cyclopropane
Cc1ccc(C#Cc2ccnc(-c3cc(C#Cc4ccc(C)cc4)ccn3)c2)cc1	4-[2-(4-methylphenyl)ethynyl]-2-[4-[2-(4-methylphenyl)ethynyl]pyridin-2-yl]pyridine
CC(NC(=O)C(C)n1nc(-c2cccnc2)ccc1=O)c1ccccc1	2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4)cc2)C1	4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
CC[C@H](C)[C@@H]1C(=O)OC(=O)[C@@H]1OC(=O)C(F)(F)F	[(3R,4S)-4-[(2S)-butan-2-yl]-2,5-dioxooxolan-3-yl] 2,2,2-trifluoroacetate
CCCCCNc1ccccc1CC(=O)OC	methyl 2-[2-(pentylamino)phenyl]acetate
Cc1ccnc(NCCCn2nc(C)cc2C)c1	N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridin-2-amine
CSCCC(N)c1nc(C(=O)NCc2ccccn2)cs1	2-(1-amino-3-methylsulfanylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CCn1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c2ccccc21	1-ethyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]indole-3-carboxamide
COC1CN(S(=O)(=O)c2sc(C)nc2C)C1	5-(3-methoxyazetidin-1-yl)sulfonyl-2,4-dimethyl-1,3-thiazole
CC(NC(=O)NCc1cccc(Cn2cncn2)c1)c1cccc([N+](=O)[O-])c1	1-[1-(3-nitrophenyl)ethyl]-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CCC1(C(=O)Cc2cc(Cl)cc3c2OCC3)CCCNC1	2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-ethylpiperidin-3-yl)ethanone
Cc1nc(-c2ccc([C@@H]3COCCN(c4nc(-c5ccncn5)cc(=O)n4C)C3)cc2)no1	3-methyl-2-[(6S)-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-oxazepan-4-yl]-6-pyrimidin-4-ylpyrimidin-4-one
O=C(NC(C1CC1)C1CC1)N(Cc1ccco1)C[C@H]1CCCO1	3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
C=C1C(C)=CC(c2nc3cnc(N)cc3n2[C@@H](C)c2ccccc2)=CN1C	2-(1,5-dimethyl-6-methylidenepyridin-3-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-6-amine
CC(=O)OC[C@H]1O[C@@H](NC(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-[3-[4-[bis(2-chloroethyl)amino]phenyl]propylcarbamoylamino]-5-fluorooxan-2-yl]methyl acetate
CCSC1CCCC1NCc1nc(C)c(C)o1	N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CC(C(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1)N1C(=O)c2ccccc2C1=O	2-[1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CCc1nc(NC)cc(N(C)C2CCN(C)CC2)n1	2-ethyl-4-N,6-N-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-n2nc(C)c(Br)c2C)cc1Cl	1-[2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)C(C)C	N-[(3S)-5-methyl-1-methylsulfonyl-4-oxohexan-3-yl]acetamide
CS(=O)c1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12	2-anilino-8-methylsulfinyl-1-phenyl-1,6-naphthyridin-4-one
Cc1oc(-c2ccccc2)nc1COC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O	(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
COC(=O)C(C)CN(CCO)C(=O)c1ccc(OC)c([N+](=O)[O-])c1	methyl 3-[2-hydroxyethyl-(4-methoxy-3-nitrobenzoyl)amino]-2-methylpropanoate
CC/C=C\C/C=C\CCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C=C/C=C\CCCCCCC)OC(=O)CCCC/C=C\C/C=C\CC	2,3-bis[[(6Z,9Z)-dodeca-6,9-dienoyl]oxy]propyl (9Z,11Z,13Z)-henicosa-9,11,13-trienoate
CCC1C(=O)N(S(C)(=O)=O)[C@H]2CCN(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(C)C)C(C)C)[C@H]12	(3S)-4-[[(2S)-1-[[(2S)-1-[[(3aS,6aR)-6-ethyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]oxy]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-acetamido-4-oxobutanoic acid
O=c1[nH]c(CN2CCc3[nH]c4ccccc4c3C2)nc2ccccc12	2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)-3H-quinazolin-4-one
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(c1ccccc1)c1ccccc1.N#C[C@@H]1C=CC=CC1.[C-]#[O+].[C-]#[O+].[Fe]	carbon monoxide;(1S)-cyclohexa-2,4-diene-1-carbonitrile;iron;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
C[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	(2R)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
N#C[C@H]1C(=O)OC[C@@H]1CC(=O)c1ccccc1	(3S,4R)-2-oxo-4-phenacyloxolane-3-carbonitrile
CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O	2-[(3,4-dichlorophenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]-N-methylpropanamide
Cc1ccc(C2=CCCCCCCCCCC2)cc1	1-(4-methylphenyl)cyclododecene
Cc1csc(NC(=O)CSc2ncn(-c3ccccc3)n2)n1	N-(4-methyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CCc1cc(CC)n(-c2cncc(NC)c2)n1	5-(3,5-diethylpyrazol-1-yl)-N-methylpyridin-3-amine
COc1c(C(C)(C)C)cc(C(=O)N2CCNCC2)c(C)c1C(C)(C)C	(3,5-ditert-butyl-4-methoxy-2-methylphenyl)-piperazin-1-ylmethanone
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(Cl)cc1Cl	2,4-dichloro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide
O=[N+]([O-])C1=CC([N+](=O)[O-])(S(=O)(=O)O)C(O)c2ccccc21	1-hydroxy-2,4-dinitro-1H-naphthalene-2-sulfonic acid
COc1ccccc1CNC(=O)c1cnc(-c2ccccc2)nc1C	N-[(2-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
Cc1cc(C2C3=CCC4C(=O)N(N(C)c5nc(C(F)(F)F)ccc5Cl)C(=O)C4C3CC3C(=O)N(c4cc(-c5sc6ccc(Cl)cc6c5C)nn4C)C(=O)C32C)ccc1O	8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-2-[[3-chloro-6-(trifluoromethyl)pyridin-2-yl]-methylamino]-6-(4-hydroxy-3-methylphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1	(3R)-1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(C)c2)CC1	N-butyl-3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
Cc1ccc2c(CC(=O)N3CCN(c4ccccn4)CC3)coc2c1	2-(6-methyl-1-benzofuran-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
C[C@@H]1CCC[C@@H](C)CC[C@H](C)CCC[C@@H](C)CC1	(1R,4R,8R,11R)-1,4,8,11-tetramethylcyclotetradecane
COc1cc(O)c(C(=O)C=Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)c(OC)c1	1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
CCN(CC)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3cccc(OC(C)C)c3)C2c2ccccc2C)cc1	(4E)-1-[4-(diethylamino)phenyl]-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione
c1ccc(-c2ccc3c(c2)oc2c(-n4c5ccccc5c5ccccc54)nc(-c4cccc5oc6ccc(-c7ccc8oc9cc(-c%10cccc%11c%10c%10ccccc%10n%11-c%10nc(-c%11ccc%12c(c%11)oc%11cccc(-c%13cccc%14c%13oc%13ccccc%13%14)c%11%12)c%11oc%12cc(-c%13ccc%14c(c%13)oc%13ccccc%13%14)ccc%12c%11n%10)ccc9c8c7)cc6c45)nc23)cc1	2-[4-[8-[9-(4-carbazol-9-yl-7-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]carbazol-9-yl]-7-dibenzofuran-3-yl-4-(9-dibenzofuran-4-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
NCC1(C(=O)NCCc2cccc(Cl)c2)CC1	1-(aminomethyl)-N-[2-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(c2nc3ccccc3o2)CC1	[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
COC(=O)[C@@H](OC(C)=O)[C@H]1[C@@]2(C)C[C@]3(OC(C)=O)C([C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@]2(O)C(CC[C@]4(C)[C@H]2CC(=O)O[C@H]4c2ccoc2)[C@]13C	methyl (2S)-2-acetyloxy-2-[(1S,5R,6R,10R,11S,12R,14R,15R,17S,18S)-12,14,17-triacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate
Cc1cc(C2NC(=O)N(C)C2(c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)NCc1ccccn1	4-[5-(3,5-dichlorophenyl)-1-methyl-2-oxo-5-(trifluoromethyl)imidazolidin-4-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
C=NC(=NC(=CC)C(C#N)c1nc2cnc(C)cc2s1)OCc1ccc(CN2CCCC2=O)cc1	[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl N'-[1-cyano-1-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)but-2-en-2-yl]-N-methylidenecarbamimidate
COc1ccc(C=Nn2c(=N)sc3nc4ccccc4nc32)cc1	3-[(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[4,5-b]quinoxalin-2-imine
Cc1ccc(Oc2cc(NS(=O)(=O)O)c3c4c2nc(=O)c(=C(O)c2ccccc2)c=4c2ccccc2c3=O)c(S(=O)(=O)O)c1	2-[[16-[hydroxy(phenyl)methylidene]-8,15-dioxo-10-(sulfoamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-12-yl]oxy]-5-methylbenzenesulfonic acid
CCc1ccc(C(C)NCc2ccc(OC)nc2)cc1	1-(4-ethylphenyl)-N-[(6-methoxypyridin-3-yl)methyl]ethanamine
CC(Nc1cccc(C(F)(F)F)n1)C(=O)NC(C)(C)C	N-tert-butyl-2-[[6-(trifluoromethyl)pyridin-2-yl]amino]propanamide
CC1CN(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(C(C)C)cn2)C(=O)NC1=O	(2S,4R)-4-fluoro-1-[2-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]-N-[(S)-phenyl-(5-propan-2-ylpyridin-2-yl)methyl]pyrrolidine-2-carboxamide
N#CCCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2	N-[(3R)-9-(2-cyanoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]-4-fluorobenzenesulfonamide
C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\c3ccccc3)C[C@@H]12	(5S,8R,9S,10S,13S,14S,16Z)-16-benzylidene-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CC(C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O	3-[(2S,5S,8S,11S,14S,17S)-5-(4-aminobutyl)-14-(carboxymethyl)-8-[3-(diaminomethylideneamino)propyl]-17-methyl-3,6,9,12,15,18-hexaoxo-11-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propanoic acid
Cc1cn(CCCn2ccnc2)c(=O)[nH]c1=O	1-(3-imidazol-1-ylpropyl)-5-methylpyrimidine-2,4-dione
O=c1c(OCCCC2Oc3c(oc4ccc(Cl)cc4c3=O)-c3sccc32)c(-c2cccs2)oc2ccc(Cl)cc12	5-chloro-16-[3-(6-chloro-4-oxo-2-thiophen-2-ylchromen-3-yl)oxypropyl]-9,17-dioxa-12-thiatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11(15),13-hexaen-2-one
CC1(C)Cc2c(sc(NC(=O)CSc3cccc[n+]3[O-])c2C#N)C(C)(C)N1	N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CNCC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1	N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-(methylamino)acetamide
[2H]CC(=O)C1(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1N	1-[(3R,4R,5S,6R)-3-amino-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-deuterioethanone
Cc1c(O)[nH]c(=O)n1Cc1ccc(Br)c(Oc2cc(Cl)cc(C#N)c2)c1F	3-[6-bromo-2-fluoro-3-[(5-hydroxy-4-methyl-2-oxo-1H-imidazol-3-yl)methyl]phenoxy]-5-chlorobenzonitrile
CCOC(=O)[C@@H]1[C@H]2C(=O)N(CCCCCCO)C(C(=O)NC(C)C)C23CC[C@H]1O3	ethyl (5R,6R,7R)-3-(6-hydroxyhexyl)-4-oxo-2-(propan-2-ylcarbamoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
CCN1C(=O)C=C(Nc2ccc(C)cc2)C1=O	1-ethyl-3-(4-methylanilino)pyrrole-2,5-dione
N[C@H](c1cccc(Cl)c1)c1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)sc1Cl	[(1R,2R,3S,4R)-4-[[5-[4-[(R)-amino-(3-chlorophenyl)methyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1	(5Z)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCC1	N-[cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccc2)n1	(2R)-2-[[4-(5-chloro-2-nitroanilino)-6-phenylpyrimidin-2-yl]amino]-3-methylbutan-1-ol
CC(NC(=O)C(C)(C)c1ccccc1F)c1ccc(OCC(=O)O)cc1	2-[4-[1-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]ethyl]phenoxy]acetic acid
Fc1cc(NCc2n[nH]nc2-c2ccccc2)ccc1Cl	4-chloro-3-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline
CCC(C)c1ccccc1NC(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1	N-(2-butan-2-ylphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CCCN(CCC)S(=O)(=O)N1CCCN(S(=O)(=O)N(CCC)CCC)CC1	1-N,1-N,4-N,4-N-tetrapropyl-1,4-diazepane-1,4-disulfonamide
Cl.Cl.Nc1ccccc1CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	3-(2-aminophenyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;dihydrochloride
CCC1CCC(C)N1C(=O)N1CC(OC)CC1C(=O)O	1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
Cc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)Nc2ccc(F)cc2F)n1	6-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
O=C(O)Cn1ccnc1Cc1ccc(F)cc1F	2-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]acetic acid
OC1CCC(Cc2cc(-c3ccccc3)on2)OC1CNC1CCCCC1	2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
CO/C=C(\C)CCC1CNCCN1	2-[(E)-4-methoxy-3-methylbut-3-enyl]piperazine
CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1	(3S)-3-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butanoic acid
CCCC(=O)N1CCO[C@H]2CCCC[C@@H]21	1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butan-1-one
CC1=C(Cl)CC(NCN2CCCC2)C=C1	5-chloro-4-methyl-N-(pyrrolidin-1-ylmethyl)cyclohexa-2,4-dien-1-amine
C.OC1Cc2ccccc2CN1	methane;1,2,3,4-tetrahydroisoquinolin-3-ol
CC(C)CN(CC(C)C)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1	N-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
CN1C(C)(C)CC(NC2=C(F)C=NC(N)(c3cc(C4CC4)cc(-n4cnnn4)c3)N2)CC1(C)C	2-[3-cyclopropyl-5-(tetrazol-1-yl)phenyl]-5-fluoro-6-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,6-diamine
CCOCCO[C@@H](C)C(=O)Nc1ncn(Cc2ccccc2)n1	(2S)-N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2-ethoxyethoxy)propanamide
CC(C)(C)OC(=O)[C@@H](CCC(N)=O)N(CCN)C(=O)CBr	tert-butyl (2R)-5-amino-2-[2-aminoethyl-(2-bromoacetyl)amino]-5-oxopentanoate
CN(CC1(N(C)C)CCC1)C(=O)NCC1(C(=O)O)CCC1	1-[[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1	N-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ncccn5)c4C[C@H]3C[C@@H]12	(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyrimidin-2-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Cc1ccc2c(N)c(OCCN3CCC([N+](C)(C)C)C3)nn2c1C	[1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium
COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)c1	N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)s1	N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(3,4-dichlorophenyl)acetamide
CO[C@@H]1CCC[C@H]1OC(=O)[C@H](C)CC1CCCCC1	[(1R,2R)-2-methoxycyclopentyl] (2R)-3-cyclohexyl-2-methylpropanoate
Cc1ccc2cccc3c2[n+]1N(Oc1ccc(-c2ccccc2)cc1)O3.c1cc2c3c(c1)ccc[n+]3NO2.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1	9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;11-methyl-2-(4-phenylphenoxy)-3-oxa-2-aza-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;3-oxa-2-aza-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene

CCCCCCC(Sc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccon1

2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(1,2-oxazol-3-yl)octanamide

Cc1csc2c1CCNCC2

3-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

O=C(O)c1c2ccccc2[n+]([O-])c2oc3ccccc3c12

6-oxido-[1]benzofuro[2,3-b]quinolin-6-ium-11-carboxylic acid

BrC1(C(=C2CC2)C2(Br)CC2)CC1

1-bromo-1-[(1-bromocyclopropyl)-cyclopropylidenemethyl]cyclopropane

Cc1ccc(C#Cc2ccnc(-c3cc(C#Cc4ccc(C)cc4)ccn3)c2)cc1

4-[2-(4-methylphenyl)ethynyl]-2-[4-[2-(4-methylphenyl)ethynyl]pyridin-2-yl]pyridine

CC(NC(=O)C(C)n1nc(-c2cccnc2)ccc1=O)c1ccccc1

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide

CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4)cc2)C1

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide

CC[C@H](C)[C@@H]1C(=O)OC(=O)[C@@H]1OC(=O)C(F)(F)F

[(3R,4S)-4-[(2S)-butan-2-yl]-2,5-dioxooxolan-3-yl] 2,2,2-trifluoroacetate

CCCCCNc1ccccc1CC(=O)OC

methyl 2-[2-(pentylamino)phenyl]acetate

Cc1ccnc(NCCCn2nc(C)cc2C)c1

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridin-2-amine

CSCCC(N)c1nc(C(=O)NCc2ccccn2)cs1

2-(1-amino-3-methylsulfanylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

CCn1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c2ccccc21

1-ethyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]indole-3-carboxamide

COC1CN(S(=O)(=O)c2sc(C)nc2C)C1

5-(3-methoxyazetidin-1-yl)sulfonyl-2,4-dimethyl-1,3-thiazole

CC(NC(=O)NCc1cccc(Cn2cncn2)c1)c1cccc([N+](=O)[O-])c1

1-[1-(3-nitrophenyl)ethyl]-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea

CCC1(C(=O)Cc2cc(Cl)cc3c2OCC3)CCCNC1

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-ethylpiperidin-3-yl)ethanone

Cc1nc(-c2ccc([C@@H]3COCCN(c4nc(-c5ccncn5)cc(=O)n4C)C3)cc2)no1

3-methyl-2-[(6S)-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-oxazepan-4-yl]-6-pyrimidin-4-ylpyrimidin-4-one

O=C(NC(C1CC1)C1CC1)N(Cc1ccco1)C[C@H]1CCCO1

3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea

C=C1C(C)=CC(c2nc3cnc(N)cc3n2[C@@H](C)c2ccccc2)=CN1C

2-(1,5-dimethyl-6-methylidenepyridin-3-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-6-amine

CC(=O)OC[C@H]1O[C@@H](NC(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-[3-[4-[bis(2-chloroethyl)amino]phenyl]propylcarbamoylamino]-5-fluorooxan-2-yl]methyl acetate

CCSC1CCCC1NCc1nc(C)c(C)o1

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylsulfanylcyclopentan-1-amine

CC(C(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1)N1C(=O)c2ccccc2C1=O

2-[1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione

CCc1nc(NC)cc(N(C)C2CCN(C)CC2)n1

2-ethyl-4-N,6-N-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine

Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-n2nc(C)c(Br)c2C)cc1Cl

1-[2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one

CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)C(C)C

N-[(3S)-5-methyl-1-methylsulfonyl-4-oxohexan-3-yl]acetamide

CS(=O)c1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12

2-anilino-8-methylsulfinyl-1-phenyl-1,6-naphthyridin-4-one

Cc1oc(-c2ccccc2)nc1COC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate

COC(=O)C(C)CN(CCO)C(=O)c1ccc(OC)c([N+](=O)[O-])c1

methyl 3-[2-hydroxyethyl-(4-methoxy-3-nitrobenzoyl)amino]-2-methylpropanoate

CC/C=C\C/C=C\CCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C=C/C=C\CCCCCCC)OC(=O)CCCC/C=C\C/C=C\CC

2,3-bis[[(6Z,9Z)-dodeca-6,9-dienoyl]oxy]propyl (9Z,11Z,13Z)-henicosa-9,11,13-trienoate

CCC1C(=O)N(S(C)(=O)=O)[C@H]2CCN(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(C)C)C(C)C)[C@H]12

(3S)-4-[[(2S)-1-[[(2S)-1-[[(3aS,6aR)-6-ethyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]oxy]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-acetamido-4-oxobutanoic acid

O=c1[nH]c(CN2CCc3[nH]c4ccccc4c3C2)nc2ccccc12

2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)-3H-quinazolin-4-one

CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(c1ccccc1)c1ccccc1.N#C[C@@H]1C=CC=CC1.[C-]#[O+].[C-]#[O+].[Fe]

carbon monoxide;(1S)-cyclohexa-2,4-diene-1-carbonitrile;iron;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane

C[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F

(2R)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

N#C[C@H]1C(=O)OC[C@@H]1CC(=O)c1ccccc1

(3S,4R)-2-oxo-4-phenacyloxolane-3-carbonitrile

CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O

2-[(3,4-dichlorophenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]-N-methylpropanamide

Cc1ccc(C2=CCCCCCCCCCC2)cc1

1-(4-methylphenyl)cyclododecene

Cc1csc(NC(=O)CSc2ncn(-c3ccccc3)n2)n1

N-(4-methyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

CCc1cc(CC)n(-c2cncc(NC)c2)n1

5-(3,5-diethylpyrazol-1-yl)-N-methylpyridin-3-amine

COc1c(C(C)(C)C)cc(C(=O)N2CCNCC2)c(C)c1C(C)(C)C

(3,5-ditert-butyl-4-methoxy-2-methylphenyl)-piperazin-1-ylmethanone

CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(Cl)cc1Cl

2,4-dichloro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide

O=[N+]([O-])C1=CC([N+](=O)[O-])(S(=O)(=O)O)C(O)c2ccccc21

1-hydroxy-2,4-dinitro-1H-naphthalene-2-sulfonic acid

COc1ccccc1CNC(=O)c1cnc(-c2ccccc2)nc1C

N-[(2-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide

Cc1cc(C2C3=CCC4C(=O)N(N(C)c5nc(C(F)(F)F)ccc5Cl)C(=O)C4C3CC3C(=O)N(c4cc(-c5sc6ccc(Cl)cc6c5C)nn4C)C(=O)C32C)ccc1O

8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-2-[[3-chloro-6-(trifluoromethyl)pyridin-2-yl]-methylamino]-6-(4-hydroxy-3-methylphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone

O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1

(3R)-1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione

CCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(C)c2)CC1

N-butyl-3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

Cc1ccc2c(CC(=O)N3CCN(c4ccccn4)CC3)coc2c1

2-(6-methyl-1-benzofuran-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C[C@@H]1CCC[C@@H](C)CC[C@H](C)CCC[C@@H](C)CC1

(1R,4R,8R,11R)-1,4,8,11-tetramethylcyclotetradecane

COc1cc(O)c(C(=O)C=Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)c(OC)c1

1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

CCN(CC)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3cccc(OC(C)C)c3)C2c2ccccc2C)cc1

(4E)-1-[4-(diethylamino)phenyl]-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione

c1ccc(-c2ccc3c(c2)oc2c(-n4c5ccccc5c5ccccc54)nc(-c4cccc5oc6ccc(-c7ccc8oc9cc(-c%10cccc%11c%10c%10ccccc%10n%11-c%10nc(-c%11ccc%12c(c%11)oc%11cccc(-c%13cccc%14c%13oc%13ccccc%13%14)c%11%12)c%11oc%12cc(-c%13ccc%14c(c%13)oc%13ccccc%13%14)ccc%12c%11n%10)ccc9c8c7)cc6c45)nc23)cc1

2-[4-[8-[9-(4-carbazol-9-yl-7-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]carbazol-9-yl]-7-dibenzofuran-3-yl-4-(9-dibenzofuran-4-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine

NCC1(C(=O)NCCc2cccc(Cl)c2)CC1

1-(aminomethyl)-N-[2-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide

O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(c2nc3ccccc3o2)CC1

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone

COC(=O)[C@@H](OC(C)=O)[C@H]1[C@@]2(C)C[C@]3(OC(C)=O)C([C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@]2(O)C(CC[C@]4(C)[C@H]2CC(=O)O[C@H]4c2ccoc2)[C@]13C

methyl (2S)-2-acetyloxy-2-[(1S,5R,6R,10R,11S,12R,14R,15R,17S,18S)-12,14,17-triacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

Cc1cc(C2NC(=O)N(C)C2(c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)NCc1ccccn1

4-[5-(3,5-dichlorophenyl)-1-methyl-2-oxo-5-(trifluoromethyl)imidazolidin-4-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide

C=NC(=NC(=CC)C(C#N)c1nc2cnc(C)cc2s1)OCc1ccc(CN2CCCC2=O)cc1

[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl N'-[1-cyano-1-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)but-2-en-2-yl]-N-methylidenecarbamimidate

COc1ccc(C=Nn2c(=N)sc3nc4ccccc4nc32)cc1

3-[(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[4,5-b]quinoxalin-2-imine

Cc1ccc(Oc2cc(NS(=O)(=O)O)c3c4c2nc(=O)c(=C(O)c2ccccc2)c=4c2ccccc2c3=O)c(S(=O)(=O)O)c1

2-[[16-[hydroxy(phenyl)methylidene]-8,15-dioxo-10-(sulfoamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-12-yl]oxy]-5-methylbenzenesulfonic acid

CCc1ccc(C(C)NCc2ccc(OC)nc2)cc1

1-(4-ethylphenyl)-N-[(6-methoxypyridin-3-yl)methyl]ethanamine

CC(Nc1cccc(C(F)(F)F)n1)C(=O)NC(C)(C)C

N-tert-butyl-2-[[6-(trifluoromethyl)pyridin-2-yl]amino]propanamide

CC1CN(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(C(C)C)cn2)C(=O)NC1=O

(2S,4R)-4-fluoro-1-[2-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]-N-[(S)-phenyl-(5-propan-2-ylpyridin-2-yl)methyl]pyrrolidine-2-carboxamide

N#CCCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2

N-[(3R)-9-(2-cyanoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]-4-fluorobenzenesulfonamide

C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\c3ccccc3)C[C@@H]12

(5S,8R,9S,10S,13S,14S,16Z)-16-benzylidene-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

CC(C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O

3-[(2S,5S,8S,11S,14S,17S)-5-(4-aminobutyl)-14-(carboxymethyl)-8-[3-(diaminomethylideneamino)propyl]-17-methyl-3,6,9,12,15,18-hexaoxo-11-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propanoic acid

Cc1cn(CCCn2ccnc2)c(=O)[nH]c1=O

1-(3-imidazol-1-ylpropyl)-5-methylpyrimidine-2,4-dione

O=c1c(OCCCC2Oc3c(oc4ccc(Cl)cc4c3=O)-c3sccc32)c(-c2cccs2)oc2ccc(Cl)cc12

5-chloro-16-[3-(6-chloro-4-oxo-2-thiophen-2-ylchromen-3-yl)oxypropyl]-9,17-dioxa-12-thiatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11(15),13-hexaen-2-one

CC1(C)Cc2c(sc(NC(=O)CSc3cccc[n+]3[O-])c2C#N)C(C)(C)N1

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

CNCC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1

N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-(methylamino)acetamide

[2H]CC(=O)C1(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1N

1-[(3R,4R,5S,6R)-3-amino-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-deuterioethanone

Cc1c(O)[nH]c(=O)n1Cc1ccc(Br)c(Oc2cc(Cl)cc(C#N)c2)c1F

3-[6-bromo-2-fluoro-3-[(5-hydroxy-4-methyl-2-oxo-1H-imidazol-3-yl)methyl]phenoxy]-5-chlorobenzonitrile

CCOC(=O)[C@@H]1[C@H]2C(=O)N(CCCCCCO)C(C(=O)NC(C)C)C23CC[C@H]1O3

ethyl (5R,6R,7R)-3-(6-hydroxyhexyl)-4-oxo-2-(propan-2-ylcarbamoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate

CCN1C(=O)C=C(Nc2ccc(C)cc2)C1=O

1-ethyl-3-(4-methylanilino)pyrrole-2,5-dione

N[C@H](c1cccc(Cl)c1)c1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)sc1Cl

[(1R,2R,3S,4R)-4-[[5-[4-[(R)-amino-(3-chlorophenyl)methyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl sulfamate

O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1

(5Z)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCC1

N-[cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine

CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccc2)n1

(2R)-2-[[4-(5-chloro-2-nitroanilino)-6-phenylpyrimidin-2-yl]amino]-3-methylbutan-1-ol

CC(NC(=O)C(C)(C)c1ccccc1F)c1ccc(OCC(=O)O)cc1

2-[4-[1-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]ethyl]phenoxy]acetic acid

Fc1cc(NCc2n[nH]nc2-c2ccccc2)ccc1Cl

4-chloro-3-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline

CCC(C)c1ccccc1NC(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1

N-(2-butan-2-ylphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

CCCN(CCC)S(=O)(=O)N1CCCN(S(=O)(=O)N(CCC)CCC)CC1

1-N,1-N,4-N,4-N-tetrapropyl-1,4-diazepane-1,4-disulfonamide

Cl.Cl.Nc1ccccc1CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

3-(2-aminophenyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;dihydrochloride

CCC1CCC(C)N1C(=O)N1CC(OC)CC1C(=O)O

1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

Cc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)Nc2ccc(F)cc2F)n1

6-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide

O=C(O)Cn1ccnc1Cc1ccc(F)cc1F

2-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]acetic acid

OC1CCC(Cc2cc(-c3ccccc3)on2)OC1CNC1CCCCC1

2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol

CO/C=C(\C)CCC1CNCCN1

2-[(E)-4-methoxy-3-methylbut-3-enyl]piperazine

CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

(3S)-3-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butanoic acid

CCCC(=O)N1CCO[C@H]2CCCC[C@@H]21

1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butan-1-one

CC1=C(Cl)CC(NCN2CCCC2)C=C1

5-chloro-4-methyl-N-(pyrrolidin-1-ylmethyl)cyclohexa-2,4-dien-1-amine

C.OC1Cc2ccccc2CN1

methane;1,2,3,4-tetrahydroisoquinolin-3-ol

CC(C)CN(CC(C)C)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1

N-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide

CN1C(C)(C)CC(NC2=C(F)C=NC(N)(c3cc(C4CC4)cc(-n4cnnn4)c3)N2)CC1(C)C

2-[3-cyclopropyl-5-(tetrazol-1-yl)phenyl]-5-fluoro-6-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,6-diamine

CCOCCO[C@@H](C)C(=O)Nc1ncn(Cc2ccccc2)n1

(2S)-N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2-ethoxyethoxy)propanamide

CC(C)(C)OC(=O)[C@@H](CCC(N)=O)N(CCN)C(=O)CBr

tert-butyl (2R)-5-amino-2-[2-aminoethyl-(2-bromoacetyl)amino]-5-oxopentanoate

CN(CC1(N(C)C)CCC1)C(=O)NCC1(C(=O)O)CCC1

1-[[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1

N-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ncccn5)c4C[C@H]3C[C@@H]12

(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyrimidin-2-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Cc1ccc2c(N)c(OCCN3CCC([N+](C)(C)C)C3)nn2c1C

[1-[2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium

COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)c1

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)s1

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(3,4-dichlorophenyl)acetamide

CO[C@@H]1CCC[C@H]1OC(=O)[C@H](C)CC1CCCCC1

[(1R,2R)-2-methoxycyclopentyl] (2R)-3-cyclohexyl-2-methylpropanoate

Cc1ccc2cccc3c2[n+]1N(Oc1ccc(-c2ccccc2)cc1)O3.c1cc2c3c(c1)ccc[n+]3NO2.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1

9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;11-methyl-2-(4-phenylphenoxy)-3-oxa-2-aza-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;3-oxa-2-aza-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene