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

SMILES stringlengths 2 756	IUPAC stringlengths 6 1.26k
O=C(NCCN1CCCC(CO)C1)c1ccc(COc2ccccc2)cc1	N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(phenoxymethyl)benzamide
Nc1cc(C(=O)O)ccc1NC(=O)c1ccc(O)c(O)c1	3-amino-4-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CCC(C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2	[(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-phenylacetate
COc1c(N)cc(O)cc1C(C)C	3-amino-4-methoxy-5-propan-2-ylphenol
C#CCn1c(C(C)C)nc(-c2ccc(C(F)F)cc2)c1N	5-[4-(difluoromethyl)phenyl]-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
COc1cc(N)ccc1NC(=O)C(C)N1CCC(C(=O)O)CC1	1-[1-(4-amino-2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CC(C)(C)c1cc(=S)nc(C2CCCS2)[nH]1	6-tert-butyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
NC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(F)cc1	1-[2-(4-fluorophenyl)acetyl]-2,3-dihydroindole-2-carboxamide
Fc1ccc(CC(CBr)Cc2ccc(Br)cc2)cc1	1-bromo-4-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]benzene
CN(Cc1cc(-c2ccncc2)no1)C(=O)C1Cc2ccccc2CN1C	N,2-dimethyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CCCCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)cc1	4-butoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CC(C)(C)[Si](C)(C)OCC/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cnccn12	3-[[3-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]imidazo[1,2-a]pyrazin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CNCCN(CCNC)C[C@@H](O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2CCCN2C1=O	(4S)-4-[[(2S)-2-[[(1R)-2-[bis[2-(methylamino)ethyl]amino]-1-hydroxyethyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S)-17-[(4-hydroxyphenyl)methyl]-8-methyl-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNC(C)CC)c1	N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CCn1c(SCC(=O)N2CC(C)OC(C)C2)nnc1-c1ccccc1	1-(2,6-dimethylmorpholin-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
C[C@H]1CN(c2ncnc3c2cnn3C)CCN1	1-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidine
Cc1nccn2c([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12	4-[3-[(2S)-1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cs1	2-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,3-thiazole-4-carboxamide
O=C(Nc1ccncn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCCC1C2	N-pyrimidin-4-yl-5-[2-(trifluoromethyl)pyridin-4-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
N#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O	4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
C=CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccccc1	2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-phenyl-N-prop-2-enylacetamide
Cc1cc(/C=C/C(=O)O)cnc1Oc1ccccc1F	(E)-3-[6-(2-fluorophenoxy)-5-methylpyridin-3-yl]prop-2-enoic acid
C=CCC#CO[C@@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C	2-[(1S)-1-pent-4-en-1-ynoxyethyl]-1,3,5-tri(propan-2-yl)benzene
Nc1cccc(Oc2nccn3cnnc23)c1	3-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)aniline
CC(N(C)S(=O)(=O)c1cc(N)c(F)cc1Cl)C(C)(C)C	5-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide
CC1(C)C2CCC1(CS(=O)(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)C(=O)C2	1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CCNC(=O)[C@@H](C)NC(=O)COC(=O)Cc1ccc(Br)cc1	[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NCc1nncn1C	3,5-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1	2-methyl-5-nitro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
COC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2OC)n1	methyl 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-1,2,4-triazole-3-carboxylate
CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N1CCCC(Nc2cc(Cl)cc(C(F)(F)F)c2)C1=O	tert-butyl (3R,4S)-4-acetyl-3-[3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-1-carboxylate
CC=CC=CC(=O)Nc1cccc(C)c1C	N-(2,3-dimethylphenyl)hexa-2,4-dienamide
O=S(=O)(NC(CO)c1ccco1)c1ccccc1-c1ccccc1	N-[1-(furan-2-yl)-2-hydroxyethyl]-2-phenylbenzenesulfonamide
O=C(O)CCCc1ccc(C(=O)C2CC2)cc1	4-[4-(cyclopropanecarbonyl)phenyl]butanoic acid
CO[C@@H]1COC[C@]1(C)N1CCN(c2cc3cc(NC(=O)C4CC45CCOCC5)ncc3cc2Cl)CC1	N-[7-chloro-6-[4-[(3S,4S)-4-methoxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
Cc1cc(OCc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)o2)ccc1Cl	(5E)-5-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylidene]-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
COc1ccc2c(c1)CCC(C1CCCC1(C)[C@@](O)(C(=O)O)C(=O)c1ccccc1)C2	(2S)-2-hydroxy-2-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylcyclopentyl]-3-oxo-3-phenylpropanoic acid
CCNC(c1cccc2ncccc12)C(OCC)C(C)C	2-ethoxy-N-ethyl-3-methyl-1-quinolin-5-ylbutan-1-amine
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCC1=CCCCC1	2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CC(=O)N1CCN([C@H]2CCN(C3CC(F)CC(NC(=O)C4CC5C(F)CCC(C)C5N4)C3)C2)CC1	N-[3-[(3S)-3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CSC1CCCN(c2cccc(F)c2C(C)=O)CC1	1-[2-fluoro-6-(4-methylsulfanylazepan-1-yl)phenyl]ethanone
CN=C(NCCOc1ccc(Cl)cc1)NCc1ccccn1.I	1-[2-(4-chlorophenoxy)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CCS(=O)(=O)Nc1cnc(N2CCNCC2)c(C(=O)NCc2ccccc2)c1	N-benzyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide
CCC1CNCCC1c1cnn(-c2ccccc2)c1	3-ethyl-4-(1-phenylpyrazol-4-yl)piperidine
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1	(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
Cc1[nH]c(=O)ccc1-c1ccc2nccn2c1	5-imidazo[1,2-a]pyridin-6-yl-6-methyl-1H-pyridin-2-one
COc1cc(CC2(N)CCOC2)sn1	3-[(3-methoxy-1,2-thiazol-5-yl)methyl]oxolan-3-amine
O=C(NCC1CCC(Br)CC1)c1ccc(Br)cc1Cl	4-bromo-N-[(4-bromocyclohexyl)methyl]-2-chlorobenzamide
CC(C)C(C(=O)N1CCC(c2nc3ccccc3s2)CC1)N1C(=O)c2ccccc2C1=O	2-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione
Cc1ccc(OC(=O)c2oncc2N)cc1	(4-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate
Cc1ccc2nc(C(=O)NCCOC(C)C)nc(N[C@H]3CCCC[C@H]3N=C(N)N)c2c1	4-[[(1S,2R)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methyl-N-(2-propan-2-yloxyethyl)quinazoline-2-carboxamide
c1ccc2c(c1)ccc1c2oc2cccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5oc6ccccc6c5c4)cc3)c21	N-(4-carbazol-9-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CCn1nc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)c(F)c2)c2ccccc2c1=O	N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CNC(=O)[C@H](Cc1cnc[nH]1)Nc1ccnc(C(C)(C)C)n1	(2S)-2-[(2-tert-butylpyrimidin-4-yl)amino]-3-(1H-imidazol-5-yl)-N-methylpropanamide
COCc1cc(CN(C)Cc2cnc3ccccc3n2)ccc1OC	1-[4-methoxy-3-(methoxymethyl)phenyl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
Cn1ccc(C(=O)N2CCCN(Cc3csc(C(C)(C)C)n3)CC2)n1	[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CCCC(Cl)CCCC1CSc2ccccc21	3-(4-chloroheptyl)-2,3-dihydro-1-benzothiophene
CN(c1cncc(C(=O)Nc2ccc3c(c2)OCO3)c1)C1CCS(=O)(=O)C1	N-(1,3-benzodioxol-5-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CCc1ccc(/C=C2\C(=O)N(C)C(=S)N2CC(=O)OC)s1	methyl 2-[(5E)-5-[(5-ethylthiophen-2-yl)methylidene]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)c1ccccc1Br	2-bromo-N-[(Z)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CC.Cc1ccc(-n2cncn2)c(C#N)c1	ethane;5-methyl-2-(1,2,4-triazol-1-yl)benzonitrile
CC1(CNCc2ccoc2)CCC1	1-(furan-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CCCCCC1CCC(C=CC#CC2CCC(C(F)F)CC2)CC1.CCCCCC1CCC(C=CC#CC2CCC(OC(F)F)CC2)CC1	1-(difluoromethoxy)-4-[4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane;1-(difluoromethyl)-4-[4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane
C=C.CC.CNCCCC(NC(=O)C(NC(=O)CCC(C)C)C(C)C)C(=O)Nc1ccc(COC(=O)NC)cc1.CO.NC=O	ethane;ethene;formamide;methanol;[4-[[5-(methylamino)-2-[[3-methyl-2-(4-methylpentanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-methylcarbamate
Cn1c(=O)c2nc(CCC(N)=O)c(=O)n(C)c2n(C)c1=O	3-(1,3,8-trimethyl-2,4,7-trioxopteridin-6-yl)propanamide
CN1c2ccccc2C(C(=O)O)c2cc(Cl)ccc21	2-chloro-10-methyl-9H-acridine-9-carboxylic acid
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC	[3-nonanoyloxy-2-[(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoyl]oxypropyl] (13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-13,16,19,22,25,28,31-heptaenoate
COC(=O)C(C(=O)OC)=C(C[n+]1ccccc1)C(C)=O.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F	dimethyl 2-(3-oxo-1-pyridin-1-ium-1-ylbutan-2-ylidene)propanedioate;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
NC(=O)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1	(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CS(=O)(=O)N1CCN(CCn2ncc3c(-c4ccc5cc[nH]c5c4)nc(N4CCOCC4)nc32)CC1	4-[4-(1H-indol-6-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-6-yl]morpholine
CCCC(C)N(Cc1ccccc1)C(=O)C(=N)/C=C(\N)C(F)(F)F	(Z)-4-amino-N-benzyl-5,5,5-trifluoro-2-imino-N-pentan-2-ylpent-3-enamide
CCC(C)C(SSC(c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(C)CC)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	2-chloro-1-[3-[1-[[1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-methylbutyl]disulfanyl]-2-methylbutyl]-4-nitrophenoxy]-4-(trifluoromethyl)benzene
CC[n+]1c(/C=C/N(C)c2ccccc2)sc2cc(NC(C)=O)ccc21.[I-]	N-[3-ethyl-2-[(E)-2-(N-methylanilino)ethenyl]-1,3-benzothiazol-3-ium-6-yl]acetamide;iodide
C=C(CCNC(=O)C1Cc2cc(Cl)ccc2N1)NC(=O)COc1ccc(Cl)c(F)c1	5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide
CC(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(C)cc(-c5ccc(F)nc5)c4C[C@H]3C[C@H]2CC1=O	(4aR,11aR,12aS)-3-acetyl-10-(6-fluoropyridin-3-yl)-4,4a,6,7-tetrahydroxy-8-methyl-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione
CN(Cc1ccoc1)C(=O)C1CCCC1	N-(furan-3-ylmethyl)-N-methylcyclopentanecarboxamide
O=c1[nH]c(CCC2CCCCO2)nc2cc(C(F)(F)F)ccc12	2-[2-(oxan-2-yl)ethyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CCCCNC(=O)NC(=O)COC(=O)c1ccccc1I	[2-(butylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CC(C)=CC(=O)NC(CCCCN=C(N)N)C(=O)O	6-(diaminomethylideneamino)-2-(3-methylbut-2-enoylamino)hexanoic acid
Cc1ccccc1[N+]([O-])=Cc1ccncc1	N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide
COc1cc(F)ccc1NC(=O)CC1CNCCO1	N-(4-fluoro-2-methoxyphenyl)-2-morpholin-2-ylacetamide
CCNC(C)c1nc(-c2ccc(F)c(Br)c2)no1	1-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
[N-]=[N+]=Nc1ccccc1C1OON(c2cccc(C(=O)O)c2)O1	3-[5-(2-azidophenyl)-1,2,4,3-trioxazolidin-3-yl]benzoic acid
CCOc1cc(C)nc(NC(C)(CO)c2ccccc2)n1	2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-2-phenylpropan-1-ol
C=CCCCC1CCC(C(C)CCC(CNC2=C3CCCCC3=CCC2)[C@@H]2CCC(C3=CCCCC3)C3CCC=CC32)C2C=CC=CC12	N-[2-[(1R)-4-(cyclohexen-1-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-5-(4-pent-4-enyl-1,2,3,4,4a,8a-hexahydronaphthalen-1-yl)hexyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine
CC(C)(O)[C@H](F)Cc1nccc(NC23CCC(N4CCC4=O)(CC2)CC3)c1C(N)=O	2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[4-(2-oxoazetidin-1-yl)-1-bicyclo[2.2.2]octanyl]amino]pyridine-3-carboxamide
COCc1cccc(Oc2nc3sccn3c2CCl)c1	5-(chloromethyl)-6-[3-(methoxymethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
CNC(=O)C1Cc2cc(C)ccc2N1	N,5-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CCC1=CCN(C(C)=O)c2ccccc21	1-(4-ethyl-2H-quinolin-1-yl)ethanone
CCn1c(C)cc(C(=O)COC(=O)/C=C/c2cc(OC)cc(OC)c2)c1C	[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
Cc1cc2ccccc2n1CC(=O)NCc1cccnc1OCC(F)(F)F	2-(2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]acetamide
CCOc1ccc(C(=O)N2CCC(N)C(CC)C2)cc1	(4-amino-3-ethylpiperidin-1-yl)-(4-ethoxyphenyl)methanone
C1=CCC(c2cc3c4c(oc3c3ccccc23)CCC=C4C2=CC(C3=CC(c4ccccc4)N=C(c4ccccc4)N3)C2)=C1	6-[3-(5-cyclopenta-1,3-dien-1-yl-9,10-dihydronaphtho[1,2-b][1]benzofuran-7-yl)cyclobut-2-en-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
CCCn1nccc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1	1-(3,4-dimethoxyphenyl)-N-(2-propylpyrazol-3-yl)cyclopentane-1-carboxamide
COc1cccc(CN(C(=O)CSc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1	(2R)-2-[(3-methoxyphenyl)methyl-(2-phenylsulfanylacetyl)amino]-3-phenyl-N-propan-2-ylpropanamide
Cc1cccc(-c2ccc(C(=O)N(O)Cc3ccccc3)nc2)c1.Cc1cccc(-c2ccc(C(=O)N(O)Cc3ccccc3)nc2)c1.Cc1cccc(-c2ccc(C(=O)O)nc2)c1	N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;5-(3-methylphenyl)pyridine-2-carboxylic acid
Cc1nc2ccccc2n1Cc1nnc(/C=C/c2ccc(Cl)s2)o1	2-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
CC(=O)c1ccc(N2CCN(C(=O)C3CSCCC(=O)N3)CC2)cc1	3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
C[C@]1(O)CN(C(=O)c2cscn2)CC[C@@H]1Oc1cccc(F)c1	[(3S,4S)-4-(3-fluorophenoxy)-3-hydroxy-3-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
C=CCn1c(C)cc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)c1C	1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

O=C(NCCN1CCCC(CO)C1)c1ccc(COc2ccccc2)cc1

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(phenoxymethyl)benzamide

Nc1cc(C(=O)O)ccc1NC(=O)c1ccc(O)c(O)c1

3-amino-4-[(3,4-dihydroxybenzoyl)amino]benzoic acid

CCC(C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2

[(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-phenylacetate

COc1c(N)cc(O)cc1C(C)C

3-amino-4-methoxy-5-propan-2-ylphenol

C#CCn1c(C(C)C)nc(-c2ccc(C(F)F)cc2)c1N

5-[4-(difluoromethyl)phenyl]-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine

COc1cc(N)ccc1NC(=O)C(C)N1CCC(C(=O)O)CC1

1-[1-(4-amino-2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

CC(C)(C)c1cc(=S)nc(C2CCCS2)[nH]1

6-tert-butyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione

NC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(F)cc1

1-[2-(4-fluorophenyl)acetyl]-2,3-dihydroindole-2-carboxamide

Fc1ccc(CC(CBr)Cc2ccc(Br)cc2)cc1

1-bromo-4-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]benzene

CN(Cc1cc(-c2ccncc2)no1)C(=O)C1Cc2ccccc2CN1C

N,2-dimethyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

CCCCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)cc1

4-butoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide

CC(C)(C)[Si](C)(C)OCC/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cnccn12

3-[[3-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]imidazo[1,2-a]pyrazin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

CNCCN(CCNC)C[C@@H](O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2CCCN2C1=O

(4S)-4-[[(2S)-2-[[(1R)-2-[bis[2-(methylamino)ethyl]amino]-1-hydroxyethyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S)-17-[(4-hydroxyphenyl)methyl]-8-methyl-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid

CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNC(C)CC)c1

N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide

CCn1c(SCC(=O)N2CC(C)OC(C)C2)nnc1-c1ccccc1

1-(2,6-dimethylmorpholin-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

C[C@H]1CN(c2ncnc3c2cnn3C)CCN1

1-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidine

Cc1nccn2c([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12

4-[3-[(2S)-1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cs1

2-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,3-thiazole-4-carboxamide

O=C(Nc1ccncn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCCC1C2

N-pyrimidin-4-yl-5-[2-(trifluoromethyl)pyridin-4-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide

N#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O

4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C=CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccccc1

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-phenyl-N-prop-2-enylacetamide

Cc1cc(/C=C/C(=O)O)cnc1Oc1ccccc1F

(E)-3-[6-(2-fluorophenoxy)-5-methylpyridin-3-yl]prop-2-enoic acid

C=CCC#CO[C@@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C

2-[(1S)-1-pent-4-en-1-ynoxyethyl]-1,3,5-tri(propan-2-yl)benzene

Nc1cccc(Oc2nccn3cnnc23)c1

3-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)aniline

CC(N(C)S(=O)(=O)c1cc(N)c(F)cc1Cl)C(C)(C)C

5-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide

CC1(C)C2CCC1(CS(=O)(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)C(=O)C2

1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

CCNC(=O)[C@@H](C)NC(=O)COC(=O)Cc1ccc(Br)cc1

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NCc1nncn1C

3,5-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1

2-methyl-5-nitro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide

COC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2OC)n1

methyl 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-1,2,4-triazole-3-carboxylate

CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N1CCCC(Nc2cc(Cl)cc(C(F)(F)F)c2)C1=O

tert-butyl (3R,4S)-4-acetyl-3-[3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-1-carboxylate

CC=CC=CC(=O)Nc1cccc(C)c1C

N-(2,3-dimethylphenyl)hexa-2,4-dienamide

O=S(=O)(NC(CO)c1ccco1)c1ccccc1-c1ccccc1

N-[1-(furan-2-yl)-2-hydroxyethyl]-2-phenylbenzenesulfonamide

O=C(O)CCCc1ccc(C(=O)C2CC2)cc1

4-[4-(cyclopropanecarbonyl)phenyl]butanoic acid

CO[C@@H]1COC[C@]1(C)N1CCN(c2cc3cc(NC(=O)C4CC45CCOCC5)ncc3cc2Cl)CC1

N-[7-chloro-6-[4-[(3S,4S)-4-methoxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide

Cc1cc(OCc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Oc5ccccc5)cc4)C3=O)o2)ccc1Cl

(5E)-5-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylidene]-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

COc1ccc2c(c1)CCC(C1CCCC1(C)[C@@](O)(C(=O)O)C(=O)c1ccccc1)C2

(2S)-2-hydroxy-2-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylcyclopentyl]-3-oxo-3-phenylpropanoic acid

CCNC(c1cccc2ncccc12)C(OCC)C(C)C

2-ethoxy-N-ethyl-3-methyl-1-quinolin-5-ylbutan-1-amine

O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCC1=CCCCC1

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

CC(=O)N1CCN([C@H]2CCN(C3CC(F)CC(NC(=O)C4CC5C(F)CCC(C)C5N4)C3)C2)CC1

N-[3-[(3S)-3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

CSC1CCCN(c2cccc(F)c2C(C)=O)CC1

1-[2-fluoro-6-(4-methylsulfanylazepan-1-yl)phenyl]ethanone

CN=C(NCCOc1ccc(Cl)cc1)NCc1ccccn1.I

1-[2-(4-chlorophenoxy)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

CCS(=O)(=O)Nc1cnc(N2CCNCC2)c(C(=O)NCc2ccccc2)c1

N-benzyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide

CCC1CNCCC1c1cnn(-c2ccccc2)c1

3-ethyl-4-(1-phenylpyrazol-4-yl)piperidine

CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide

Cc1[nH]c(=O)ccc1-c1ccc2nccn2c1

5-imidazo[1,2-a]pyridin-6-yl-6-methyl-1H-pyridin-2-one

COc1cc(CC2(N)CCOC2)sn1

3-[(3-methoxy-1,2-thiazol-5-yl)methyl]oxolan-3-amine

O=C(NCC1CCC(Br)CC1)c1ccc(Br)cc1Cl

4-bromo-N-[(4-bromocyclohexyl)methyl]-2-chlorobenzamide

CC(C)C(C(=O)N1CCC(c2nc3ccccc3s2)CC1)N1C(=O)c2ccccc2C1=O

2-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione

Cc1ccc(OC(=O)c2oncc2N)cc1

(4-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate

Cc1ccc2nc(C(=O)NCCOC(C)C)nc(N[C@H]3CCCC[C@H]3N=C(N)N)c2c1

4-[[(1S,2R)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methyl-N-(2-propan-2-yloxyethyl)quinazoline-2-carboxamide

c1ccc2c(c1)ccc1c2oc2cccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5oc6ccccc6c5c4)cc3)c21

N-(4-carbazol-9-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine

CCn1nc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)c(F)c2)c2ccccc2c1=O

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-ethyl-4-oxophthalazine-1-carboxamide

CNC(=O)[C@H](Cc1cnc[nH]1)Nc1ccnc(C(C)(C)C)n1

(2S)-2-[(2-tert-butylpyrimidin-4-yl)amino]-3-(1H-imidazol-5-yl)-N-methylpropanamide

COCc1cc(CN(C)Cc2cnc3ccccc3n2)ccc1OC

1-[4-methoxy-3-(methoxymethyl)phenyl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine

Cn1ccc(C(=O)N2CCCN(Cc3csc(C(C)(C)C)n3)CC2)n1

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-3-yl)methanone

CCCC(Cl)CCCC1CSc2ccccc21

3-(4-chloroheptyl)-2,3-dihydro-1-benzothiophene

CN(c1cncc(C(=O)Nc2ccc3c(c2)OCO3)c1)C1CCS(=O)(=O)C1

N-(1,3-benzodioxol-5-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide

CCc1ccc(/C=C2\C(=O)N(C)C(=S)N2CC(=O)OC)s1

methyl 2-[(5E)-5-[(5-ethylthiophen-2-yl)methylidene]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)c1ccccc1Br

2-bromo-N-[(Z)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

CC.Cc1ccc(-n2cncn2)c(C#N)c1

ethane;5-methyl-2-(1,2,4-triazol-1-yl)benzonitrile

CC1(CNCc2ccoc2)CCC1

1-(furan-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine

CCCCCC1CCC(C=CC#CC2CCC(C(F)F)CC2)CC1.CCCCCC1CCC(C=CC#CC2CCC(OC(F)F)CC2)CC1

1-(difluoromethoxy)-4-[4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane;1-(difluoromethyl)-4-[4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane

C=C.CC.CNCCCC(NC(=O)C(NC(=O)CCC(C)C)C(C)C)C(=O)Nc1ccc(COC(=O)NC)cc1.CO.NC=O

ethane;ethene;formamide;methanol;[4-[[5-(methylamino)-2-[[3-methyl-2-(4-methylpentanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-methylcarbamate

Cn1c(=O)c2nc(CCC(N)=O)c(=O)n(C)c2n(C)c1=O

3-(1,3,8-trimethyl-2,4,7-trioxopteridin-6-yl)propanamide

CN1c2ccccc2C(C(=O)O)c2cc(Cl)ccc21

2-chloro-10-methyl-9H-acridine-9-carboxylic acid

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC

[3-nonanoyloxy-2-[(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoyl]oxypropyl] (13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-13,16,19,22,25,28,31-heptaenoate

COC(=O)C(C(=O)OC)=C(C[n+]1ccccc1)C(C)=O.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

dimethyl 2-(3-oxo-1-pyridin-1-ium-1-ylbutan-2-ylidene)propanedioate;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

NC(=O)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1

(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

CS(=O)(=O)N1CCN(CCn2ncc3c(-c4ccc5cc[nH]c5c4)nc(N4CCOCC4)nc32)CC1

4-[4-(1H-indol-6-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-6-yl]morpholine

CCCC(C)N(Cc1ccccc1)C(=O)C(=N)/C=C(\N)C(F)(F)F

(Z)-4-amino-N-benzyl-5,5,5-trifluoro-2-imino-N-pentan-2-ylpent-3-enamide

CCC(C)C(SSC(c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(C)CC)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

2-chloro-1-[3-[1-[[1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-methylbutyl]disulfanyl]-2-methylbutyl]-4-nitrophenoxy]-4-(trifluoromethyl)benzene

CC[n+]1c(/C=C/N(C)c2ccccc2)sc2cc(NC(C)=O)ccc21.[I-]

N-[3-ethyl-2-[(E)-2-(N-methylanilino)ethenyl]-1,3-benzothiazol-3-ium-6-yl]acetamide;iodide

C=C(CCNC(=O)C1Cc2cc(Cl)ccc2N1)NC(=O)COc1ccc(Cl)c(F)c1

5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide

CC(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(C)cc(-c5ccc(F)nc5)c4C[C@H]3C[C@H]2CC1=O

(4aR,11aR,12aS)-3-acetyl-10-(6-fluoropyridin-3-yl)-4,4a,6,7-tetrahydroxy-8-methyl-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione

CN(Cc1ccoc1)C(=O)C1CCCC1

N-(furan-3-ylmethyl)-N-methylcyclopentanecarboxamide

O=c1[nH]c(CCC2CCCCO2)nc2cc(C(F)(F)F)ccc12

2-[2-(oxan-2-yl)ethyl]-7-(trifluoromethyl)-3H-quinazolin-4-one

CCCCNC(=O)NC(=O)COC(=O)c1ccccc1I

[2-(butylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate

CC(C)=CC(=O)NC(CCCCN=C(N)N)C(=O)O

6-(diaminomethylideneamino)-2-(3-methylbut-2-enoylamino)hexanoic acid

Cc1ccccc1[N+]([O-])=Cc1ccncc1

N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide

COc1cc(F)ccc1NC(=O)CC1CNCCO1

N-(4-fluoro-2-methoxyphenyl)-2-morpholin-2-ylacetamide

CCNC(C)c1nc(-c2ccc(F)c(Br)c2)no1

1-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine

[N-]=[N+]=Nc1ccccc1C1OON(c2cccc(C(=O)O)c2)O1

3-[5-(2-azidophenyl)-1,2,4,3-trioxazolidin-3-yl]benzoic acid

CCOc1cc(C)nc(NC(C)(CO)c2ccccc2)n1

2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-2-phenylpropan-1-ol

C=CCCCC1CCC(C(C)CCC(CNC2=C3CCCCC3=CCC2)[C@@H]2CCC(C3=CCCCC3)C3CCC=CC32)C2C=CC=CC12

N-[2-[(1R)-4-(cyclohexen-1-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-5-(4-pent-4-enyl-1,2,3,4,4a,8a-hexahydronaphthalen-1-yl)hexyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine

CC(C)(O)[C@H](F)Cc1nccc(NC23CCC(N4CCC4=O)(CC2)CC3)c1C(N)=O

2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[4-(2-oxoazetidin-1-yl)-1-bicyclo[2.2.2]octanyl]amino]pyridine-3-carboxamide

COCc1cccc(Oc2nc3sccn3c2CCl)c1

5-(chloromethyl)-6-[3-(methoxymethyl)phenoxy]imidazo[2,1-b][1,3]thiazole

CNC(=O)C1Cc2cc(C)ccc2N1

N,5-dimethyl-2,3-dihydro-1H-indole-2-carboxamide

CCC1=CCN(C(C)=O)c2ccccc21

1-(4-ethyl-2H-quinolin-1-yl)ethanone

CCn1c(C)cc(C(=O)COC(=O)/C=C/c2cc(OC)cc(OC)c2)c1C

[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

Cc1cc2ccccc2n1CC(=O)NCc1cccnc1OCC(F)(F)F

2-(2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]acetamide

CCOc1ccc(C(=O)N2CCC(N)C(CC)C2)cc1

(4-amino-3-ethylpiperidin-1-yl)-(4-ethoxyphenyl)methanone

C1=CCC(c2cc3c4c(oc3c3ccccc23)CCC=C4C2=CC(C3=CC(c4ccccc4)N=C(c4ccccc4)N3)C2)=C1

6-[3-(5-cyclopenta-1,3-dien-1-yl-9,10-dihydronaphtho[1,2-b][1]benzofuran-7-yl)cyclobut-2-en-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine

CCCn1nccc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1

1-(3,4-dimethoxyphenyl)-N-(2-propylpyrazol-3-yl)cyclopentane-1-carboxamide

COc1cccc(CN(C(=O)CSc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1

(2R)-2-[(3-methoxyphenyl)methyl-(2-phenylsulfanylacetyl)amino]-3-phenyl-N-propan-2-ylpropanamide

Cc1cccc(-c2ccc(C(=O)N(O)Cc3ccccc3)nc2)c1.Cc1cccc(-c2ccc(C(=O)N(O)Cc3ccccc3)nc2)c1.Cc1cccc(-c2ccc(C(=O)O)nc2)c1

N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;5-(3-methylphenyl)pyridine-2-carboxylic acid

Cc1nc2ccccc2n1Cc1nnc(/C=C/c2ccc(Cl)s2)o1

2-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole

CC(=O)c1ccc(N2CCN(C(=O)C3CSCCC(=O)N3)CC2)cc1

3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one

C[C@]1(O)CN(C(=O)c2cscn2)CC[C@@H]1Oc1cccc(F)c1

[(3S,4S)-4-(3-fluorophenoxy)-3-hydroxy-3-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C=CCn1c(C)cc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)c1C

1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone