AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-0

SMILES stringlengths 2 1.04k	IUPAC stringlengths 4 1.09k
Cc1ccc(C(=O)Nc2ccc(Oc3cc(Br)cnc3CC=N)c(F)c2)c(=O)n1-c1ccc(F)cc1	N-[4-[5-bromo-2-(2-iminoethyl)pyridin-3-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
NCC(=O)c1ccccc1OC1CCNC1	2-amino-1-(2-pyrrolidin-3-yloxyphenyl)ethanone
CCc1nn(C)cc1NC(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C	N-(3-ethyl-1-methylpyrazol-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
C=C1C[C@]23C[C@@]1(O)CC[C@H]2C1=CC[C@@H]2C(O)C(=O)[C@@]2(C)[C@H]1[C@@H]3C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	methyl (2S)-2-[[(1S,2S,3S,4S,7S,11R,14S)-6,14-dihydroxy-4-methyl-15-methylidene-5-oxopentacyclo[12.2.1.01,11.03,10.04,7]heptadec-9-ene-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]	2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
Cc1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccnc12	(2-chloro-6-cyclopropylphenyl)-(3-methylpyrazolo[4,3-b]pyridin-1-yl)methanone
O=S(=O)(O)CC(C(F)(F)F)C(F)(F)F.O=S(=O)(O)CC(O)(C(F)(F)F)C(F)(F)F	3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propane-1-sulfonic acid;3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonic acid
O=C(NCCCO)c1cnc(Cl)c2ccccc12	1-chloro-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
COC(=O)c1ccc(C)c(-n2c(SC)nc(OCc3ccc(F)cc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)cc2=O)c1	methyl 3-[4-[[2-[[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]methyl]-4-fluorophenyl]methoxy]-2-methylsulfanyl-6-oxopyrimidin-1-yl]-4-methylbenzoate
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc3c(c2)CCC3)c1	2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
Cc1cc(C(=O)N(C)C2CCOC2)cc(S(N)(=O)=O)c1Cl	4-chloro-N,3-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
N#Cc1ccc(N/N=C/c2ccc(Br)cn2)cc1.O	4-[(2E)-2-[(5-bromopyridin-2-yl)methylidene]hydrazinyl]benzonitrile;hydrate
CNc1nc(NCc2cc(C)no2)c(F)cc1F	3,5-difluoro-2-N-methyl-6-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,6-diamine
Cc1cnc(CNc2ccc(N)cc2C)cn1	2-methyl-1-N-[(5-methylpyrazin-2-yl)methyl]benzene-1,4-diamine
Cc1cc2ncc(C#N)c(Nc3ccc(OCc4cocn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C	N-[4-[3-chloro-4-(1,3-oxazol-4-ylmethoxy)anilino]-3-cyano-7-methylquinolin-6-yl]-4-(dimethylamino)butanamide
CN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3cnc4c(cnn4C)c3)c3nccn23)C1	4-[5-[3-(dimethylamino)pyrrolidin-1-yl]-8-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CC(C)OCCC(=O)NC(CCC(=O)O)Cc1ccccc1	5-phenyl-4-(3-propan-2-yloxypropanoylamino)pentanoic acid
CC(CO)C(N)C=O	2-amino-4-hydroxy-3-methylbutanal
N#C[C@@]12C(N)=[NH+]C3(OCCO3)[C@]1(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	(1'S,5'R,6'R)-2'-amino-6'-(3-nitrophenyl)spiro[1,3-dioxolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
COc1ccc(CO[C@H]2C(=O)[C@@]3(C)C([C@H](OC(=O)c4ccccc4)[C@]4(O)C(=O)CC[C@H]2C4(C)C)[C@](O)(CO[Si](C)(C)C)[C@@H](O)C[C@@H]3O[Si](C)(C)C(C)(C)C)cc1	[(1S,2S,4S,5S,7S,8S,10R,11S)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5-trihydroxy-10-[(4-methoxyphenyl)methoxy]-8,15,15-trimethyl-9,14-dioxo-4-(trimethylsilyloxymethyl)-2-tricyclo[9.3.1.03,8]pentadecanyl] benzoate
CNc1cc(CN2CCCC(C)C2)ccn1	N-methyl-4-[(3-methylpiperidin-1-yl)methyl]pyridin-2-amine
Oc1ccc2cc(I)ccc2c1F	1-fluoro-6-iodonaphthalen-2-ol
CC(=O)N1CCCC(c2nc(-c3ccc(-n4cncn4)c(C)c3)no2)C1	1-[3-[3-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
COc1cccc(Cl)c1CNc1ccc(C)cc1N	1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine
CC(=O)Nc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1	N-[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]acetamide
Cc1ccc(C)c2[nH]c(=O)c(CCO)cc12	3-(2-hydroxyethyl)-5,8-dimethyl-1H-quinolin-2-one
c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc(-c5ccccc5)cc4o3)c2)cc1	4-(4-dibenzofuran-4-ylphenyl)-2-(3,5-diphenylphenyl)-6-phenyl-1,3-benzoxazole
O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1ccc(I)cc1F	3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-fluoro-4-iodophenyl)carbamothioyl]prop-2-enamide
OC(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1	phenyl-bis(4-phenylphenyl)methanol
CCCNCC1(Cc2cc(C)nn2C)CC1	N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-1-amine
CCCCCCOc1cc(C)c(-c2ccc(C=O)cc2)c(C)c1	4-(4-hexoxy-2,6-dimethylphenyl)benzaldehyde
CCCCCCCCOc1ccc2c(c1F)CCc1cc(OCCCC)ccc1-2	7-butoxy-1-fluoro-2-octoxy-9,10-dihydrophenanthrene
CC(C)N1C(=O)c2ccccc2S[N+]1([O-])[O-]	2,2-dioxido-3-propan-2-yl-1,2,3-benzothiadiazin-2-ium-4-one
Cc1ccc(-c2noc(C3CC(NCOC(C)(C)C)C3)n2)cc1NC(=O)c1cnc2ccccn12	N-[2-methyl-5-[5-[3-[(2-methylpropan-2-yl)oxymethylamino]cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
NCC(C(=O)O)c1ccc(Cl)cc1F	3-amino-2-(4-chloro-2-fluorophenyl)propanoic acid
Fc1ccccc1Cn1nc(-c2nccc(Nc3ccncc3)n2)c2ccccc21	2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
NC(CCc1ccccn1)Cc1cc(F)ccc1F	1-(2,5-difluorophenyl)-4-pyridin-2-ylbutan-2-amine
CN1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1CO	N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-sulfamoylbenzamide
C=CCN(O)C(=O)OCC	ethyl N-hydroxy-N-prop-2-enylcarbamate
O=C(c1ccccc1C(F)(F)F)c1ccnc(Cl)c1Cl	(2,3-dichloropyridin-4-yl)-[2-(trifluoromethyl)phenyl]methanone
CC(=O)OC1CCCC1C1CCCC1	(2-cyclopentylcyclopentyl) acetate
CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1	6-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
COCC(OC)c1ccccc1C=O	2-(1,2-dimethoxyethyl)benzaldehyde
CC1=CC2=C(CC1)C(=O)OC2=O	6-methyl-4,5-dihydro-2-benzofuran-1,3-dione
CCC(=O)c1ccccc1Sc1ccc2c(I)[nH]nc2c1.CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)[nH]nc2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)nn(P)c2c1.Cl.I.II.I[I-]I	1-[2-[(3-iodo-2H-indazol-6-yl)sulfanyl]phenyl]propan-1-one;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-(3-methyl-1-phosphanylindazol-6-yl)sulfanylbenzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;molecular iodine;triiodide;hydrochloride;hydroiodide
Cc1nn(C)c(NC(C)(C(=O)O)C(F)(F)F)c1[N+](=O)[O-]	2-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)s2)cc1Cl	4-chloro-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
c1coc(CN2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)c1	(2R,5R)-7-(furan-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-]	(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-nitrophenoxy)propanamide
COc1cc2c(O)c(C(C)C)sc2c(Cl)c1Cl	6,7-dichloro-5-methoxy-2-propan-2-yl-1-benzothiophen-3-ol
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cc(=O)n(C)c(=O)n1C	N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetamide
CC1=C(C(N)=O)[C@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1	(7S)-5-methyl-7-(3-phenoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
COC1=CC(C(=O)c2cnn(-c3cc(C(=O)O)ccc3C)c2N)CC=C1	3-[5-amino-4-(3-methoxycyclohexa-2,4-diene-1-carbonyl)pyrazol-1-yl]-4-methylbenzoic acid
COc1ccc(CN(C)c2cccc(N)c2)cc1OC	3-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-diamine
CCC(Nc1nc(N)nc(OC)n1)C(C)C	6-methoxy-2-N-(2-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCC	[(4E,8E,12E)-3-hydroxy-2-[[(27Z,30Z)-octatriaconta-27,30-dienoyl]amino]henicosa-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
COc1ccc(N)cc1NC(=O)c1sccc1C	N-(5-amino-2-methoxyphenyl)-3-methylthiophene-2-carboxamide
CC(C)N(CC(=O)O)C(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1	2-[[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]-propan-2-ylamino]acetic acid
Cl[Si](Cl)(Cl)C1CC2CC1CC2[Si](Cl)(Cl)Cl	trichloro-(5-trichlorosilyl-2-bicyclo[2.2.1]heptanyl)silane
c1ccc2c(c1)c1c(c3ccccc32)S[N+]2(S1)Sc1c(c3ccccc3c3ccccc13)S2	2,2'-spirobi[phenanthro[9,10-d][1,3,2]dithiazol-2-ium]
COc1cc(C)ccc1C(=O)NC1Cc2ccccc2C1	N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-4-methylbenzamide
CS(=O)(=O)c1cc(C#N)c(C#N)c(NNC(=O)Nc2ccc(Cl)cc2Cl)c1	1-(2,4-dichlorophenyl)-3-(2,3-dicyano-5-methylsulfonylanilino)urea
C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1	(2R)-2-(4-fluorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CC4)cc(Cl)nc31)[C@H](O)[C@@H]2O	(1R,2R,3S,4R,5S)-4-[5-chloro-7-(cyclopropylmethylamino)imidazo[4,5-b]pyridin-3-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
CCCNc1ccc(Cl)c(CSc2nccc(C)n2)n1	5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propylpyridin-2-amine
Cc1ccccc1Cn1c(C)c(C(=O)NCc2ccc(C#N)cc2)sc1=O	N-[(4-cyanophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
Clc1ccccc1NNC(c1ccccc1)(c1ccccc1)c1ccccc1	1-(2-chlorophenyl)-2-tritylhydrazine
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2CCCO2)CC1	2-(furan-2-yl)-5-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1OCc1ccccc1Cl	(5S)-5-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
C[C@H]1COCCN1C(=O)C12CCC(c3ccc(OC/C(=C/F)CN)cc3)(CC1)CC2	[4-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1-bicyclo[2.2.2]octanyl]-[(3S)-3-methylmorpholin-4-yl]methanone
COCC(NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1	N-[1-(4-chlorophenyl)-2-methoxyethyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
O=C(CCN(CCO)CCO)c1ccc(C(=O)c2ccccc2)cc1	1-(4-benzoylphenyl)-3-[bis(2-hydroxyethyl)amino]propan-1-one
COc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1	2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CC(=O)c1ccc(-n2cc(C)cn2)c(Cl)c1	1-[3-chloro-4-(4-methylpyrazol-1-yl)phenyl]ethanone
Cc1cc(C(N)=S)cc(OCCOC(C)C)n1	2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1	3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylbenzonitrile
C/C(Cl)=C\N=C(N)C1=C(C2CCCC2)C2C=CC(C(=O)NC3(C4=NC5C=CC(/C=C/C(=O)O)=CC5N4)CCC3)=CC2N1	(E)-3-[2-[1-[[2-[N'-[(E)-2-chloroprop-1-enyl]carbamimidoyl]-3-cyclopentyl-3a,7a-dihydro-1H-indole-6-carbonyl]amino]cyclobutyl]-3a,7a-dihydro-3H-benzimidazol-5-yl]prop-2-enoic acid
COc1ccc(-c2cc(NC(=O)CNC(=O)c3ccc(F)cc3F)ccc2OC(F)F)cc1	N-[2-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CC(C)CC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(Cc1c[nH]c2ccccc12)NCC(CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(N)CCCCN)C(=O)NC(C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)C)c1ccccc1	2-[[2-[[2-[[2-[2-[[1-[2-[[6-amino-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]acetyl]amino]acetyl]amino]hexyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-phenylacetyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
COc1ccc(CC(=O)N2CCN(C(=O)c3cccc(Cl)c3)C(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1	N-benzhydryl-1-(3-chlorobenzoyl)-4-[2-(4-methoxyphenyl)acetyl]piperazine-2-carboxamide
COc1cc(C)ccc1CN1CCCC(c2cc(N(C)C)nc(-c3cccnc3)n2)C1	6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CCCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC	N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1cn[nH]c1-c1ccc2c(c1)OCO2	[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carboxylate
CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1O	2-cyano-N-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enamide
COc1c(C)cc(Oc2ccccc2)c(Oc2ccccc2)c1C	2-methoxy-1,3-dimethyl-4,5-diphenoxybenzene
Cc1cc(Nc2ccc(F)cc2)nc(NCc2ccccc2Cl)n1	2-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N)n1	2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-amine
O=C(NCCCN1CCOCC1)c1cnc2c(cnn2Cc2ccccc2)c1	1-benzyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
COc1cccc(S(=O)(=O)C2CCN(C(=O)COc3ccc(CO)cc3)C2)c1	2-[4-(hydroxymethyl)phenoxy]-1-[3-(3-methoxyphenyl)sulfonylpyrrolidin-1-yl]ethanone
CN1C(=O)C2CCC3C4CCC5C(=O)N(CC6CCCC(CN7C(=O)C8CCC9C%10CCC%11C(=O)C(C%12CCCCC%12)C(=O)C%12CCC(C%13CCC(C7=O)C8C9%13)C%10C%11%12)C6)C(=O)C6CCC(C7CCC(C1=O)C2C37)C4C56	7-[[3-[(18-cyclohexyl-6,8,17,19-tetraoxo-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosan-7-yl)methyl]cyclohexyl]methyl]-18-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosane-6,8,17,19-tetrone
CC1OCc2[nH]c(-c3ccc(N)nc3)nc21	5-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyridin-2-amine
CC(NC1CCC(c2ccccc2)CC1)c1ccc(Cl)s1	N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylcyclohexan-1-amine
CC(C)(C)[Si](C)(C)OC[C@H](O)C[C@H]1CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1	benzyl (2S,3R,6S)-6-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,3-diphenylmorpholine-4-carboxylate
CCc1nnc(-c2[nH]c(C)c(C(=O)c3cccc(OCCNC(=O)OC(C)(C)C)c3)c2C)o1	tert-butyl N-[2-[3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrole-3-carbonyl]phenoxy]ethyl]carbamate
O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	N-(4-anilinophenyl)-3-nitrobenzamide
Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc(C3CCC([NH-])CC3)c2C)n[nH]1.[Ac]	actinium;[4-[5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]azanide
Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c1	5-(4-chlorophenyl)-1-(3-methylphenyl)-N-(3-nitrophenyl)-1,2,4-triazole-3-carboxamide
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1F	4-chloro-2-fluoro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
COc1ccc(CCNC(=O)C(C)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1	2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3CC(=O)N([C@H](C)CO)C[C@@H]2C)cc1	1-[[(2S,3S)-9-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Cc1ccc(C(=O)Nc2ccc(Oc3cc(Br)cnc3CC=N)c(F)c2)c(=O)n1-c1ccc(F)cc1

N-[4-[5-bromo-2-(2-iminoethyl)pyridin-3-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

NCC(=O)c1ccccc1OC1CCNC1

2-amino-1-(2-pyrrolidin-3-yloxyphenyl)ethanone

CCc1nn(C)cc1NC(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C

N-(3-ethyl-1-methylpyrazol-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide

C=C1C[C@]23C[C@@]1(O)CC[C@H]2C1=CC[C@@H]2C(O)C(=O)[C@@]2(C)[C@H]1[C@@H]3C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC

methyl (2S)-2-[[(1S,2S,3S,4S,7S,11R,14S)-6,14-dihydroxy-4-methyl-15-methylidene-5-oxopentacyclo[12.2.1.01,11.03,10.04,7]heptadec-9-ene-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

CC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)[cH-]c1cc(C(C)(C)C)ccc12.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]

2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride

Cc1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccnc12

(2-chloro-6-cyclopropylphenyl)-(3-methylpyrazolo[4,3-b]pyridin-1-yl)methanone

O=S(=O)(O)CC(C(F)(F)F)C(F)(F)F.O=S(=O)(O)CC(O)(C(F)(F)F)C(F)(F)F

3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propane-1-sulfonic acid;3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonic acid

O=C(NCCCO)c1cnc(Cl)c2ccccc12

1-chloro-N-(3-hydroxypropyl)isoquinoline-4-carboxamide

COC(=O)c1ccc(C)c(-n2c(SC)nc(OCc3ccc(F)cc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)cc2=O)c1

methyl 3-[4-[[2-[[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]methyl]-4-fluorophenyl]methoxy]-2-methylsulfanyl-6-oxopyrimidin-1-yl]-4-methylbenzoate

CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc3c(c2)CCC3)c1

2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

Cc1cc(C(=O)N(C)C2CCOC2)cc(S(N)(=O)=O)c1Cl

4-chloro-N,3-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide

N#Cc1ccc(N/N=C/c2ccc(Br)cn2)cc1.O

4-[(2E)-2-[(5-bromopyridin-2-yl)methylidene]hydrazinyl]benzonitrile;hydrate

CNc1nc(NCc2cc(C)no2)c(F)cc1F

3,5-difluoro-2-N-methyl-6-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,6-diamine

Cc1cnc(CNc2ccc(N)cc2C)cn1

2-methyl-1-N-[(5-methylpyrazin-2-yl)methyl]benzene-1,4-diamine

Cc1cc2ncc(C#N)c(Nc3ccc(OCc4cocn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C

N-[4-[3-chloro-4-(1,3-oxazol-4-ylmethoxy)anilino]-3-cyano-7-methylquinolin-6-yl]-4-(dimethylamino)butanamide

CN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3cnc4c(cnn4C)c3)c3nccn23)C1

4-[5-[3-(dimethylamino)pyrrolidin-1-yl]-8-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

CC(C)OCCC(=O)NC(CCC(=O)O)Cc1ccccc1

5-phenyl-4-(3-propan-2-yloxypropanoylamino)pentanoic acid

CC(CO)C(N)C=O

2-amino-4-hydroxy-3-methylbutanal

N#C[C@@]12C(N)=[NH+]C3(OCCO3)[C@]1(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1

(1'S,5'R,6'R)-2'-amino-6'-(3-nitrophenyl)spiro[1,3-dioxolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile

COc1ccc(CO[C@H]2C(=O)[C@@]3(C)C([C@H](OC(=O)c4ccccc4)[C@]4(O)C(=O)CC[C@H]2C4(C)C)[C@](O)(CO[Si](C)(C)C)[C@@H](O)C[C@@H]3O[Si](C)(C)C(C)(C)C)cc1

[(1S,2S,4S,5S,7S,8S,10R,11S)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5-trihydroxy-10-[(4-methoxyphenyl)methoxy]-8,15,15-trimethyl-9,14-dioxo-4-(trimethylsilyloxymethyl)-2-tricyclo[9.3.1.03,8]pentadecanyl] benzoate

CNc1cc(CN2CCCC(C)C2)ccn1

N-methyl-4-[(3-methylpiperidin-1-yl)methyl]pyridin-2-amine

Oc1ccc2cc(I)ccc2c1F

1-fluoro-6-iodonaphthalen-2-ol

CC(=O)N1CCCC(c2nc(-c3ccc(-n4cncn4)c(C)c3)no2)C1

1-[3-[3-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

COc1cccc(Cl)c1CNc1ccc(C)cc1N

1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine

CC(=O)Nc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1

N-[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]acetamide

Cc1ccc(C)c2[nH]c(=O)c(CCO)cc12

3-(2-hydroxyethyl)-5,8-dimethyl-1H-quinolin-2-one

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc(-c5ccccc5)cc4o3)c2)cc1

4-(4-dibenzofuran-4-ylphenyl)-2-(3,5-diphenylphenyl)-6-phenyl-1,3-benzoxazole

O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1ccc(I)cc1F

3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-fluoro-4-iodophenyl)carbamothioyl]prop-2-enamide

OC(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

phenyl-bis(4-phenylphenyl)methanol

CCCNCC1(Cc2cc(C)nn2C)CC1

N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-1-amine

CCCCCCOc1cc(C)c(-c2ccc(C=O)cc2)c(C)c1

4-(4-hexoxy-2,6-dimethylphenyl)benzaldehyde

CCCCCCCCOc1ccc2c(c1F)CCc1cc(OCCCC)ccc1-2

7-butoxy-1-fluoro-2-octoxy-9,10-dihydrophenanthrene

CC(C)N1C(=O)c2ccccc2S[N+]1([O-])[O-]

2,2-dioxido-3-propan-2-yl-1,2,3-benzothiadiazin-2-ium-4-one

Cc1ccc(-c2noc(C3CC(NCOC(C)(C)C)C3)n2)cc1NC(=O)c1cnc2ccccn12

N-[2-methyl-5-[5-[3-[(2-methylpropan-2-yl)oxymethylamino]cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

NCC(C(=O)O)c1ccc(Cl)cc1F

3-amino-2-(4-chloro-2-fluorophenyl)propanoic acid

Fc1ccccc1Cn1nc(-c2nccc(Nc3ccncc3)n2)c2ccccc21

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine

NC(CCc1ccccn1)Cc1cc(F)ccc1F

1-(2,5-difluorophenyl)-4-pyridin-2-ylbutan-2-amine

CN1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1CO

N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-sulfamoylbenzamide

C=CCN(O)C(=O)OCC

ethyl N-hydroxy-N-prop-2-enylcarbamate

O=C(c1ccccc1C(F)(F)F)c1ccnc(Cl)c1Cl

(2,3-dichloropyridin-4-yl)-[2-(trifluoromethyl)phenyl]methanone

CC(=O)OC1CCCC1C1CCCC1

(2-cyclopentylcyclopentyl) acetate

CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1

6-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

COCC(OC)c1ccccc1C=O

2-(1,2-dimethoxyethyl)benzaldehyde

CC1=CC2=C(CC1)C(=O)OC2=O

6-methyl-4,5-dihydro-2-benzofuran-1,3-dione

CCC(=O)c1ccccc1Sc1ccc2c(I)[nH]nc2c1.CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)[nH]nc2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)nn(P)c2c1.Cl.I.II.I[I-]I

1-[2-[(3-iodo-2H-indazol-6-yl)sulfanyl]phenyl]propan-1-one;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-(3-methyl-1-phosphanylindazol-6-yl)sulfanylbenzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;molecular iodine;triiodide;hydrochloride;hydroiodide

Cc1nn(C)c(NC(C)(C(=O)O)C(F)(F)F)c1[N+](=O)[O-]

2-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)s2)cc1Cl

4-chloro-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide

c1coc(CN2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)c1

(2R,5R)-7-(furan-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane

CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-]

(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-nitrophenoxy)propanamide

COc1cc2c(O)c(C(C)C)sc2c(Cl)c1Cl

6,7-dichloro-5-methoxy-2-propan-2-yl-1-benzothiophen-3-ol

CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cc(=O)n(C)c(=O)n1C

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetamide

CC1=C(C(N)=O)[C@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1

(7S)-5-methyl-7-(3-phenoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

COC1=CC(C(=O)c2cnn(-c3cc(C(=O)O)ccc3C)c2N)CC=C1

3-[5-amino-4-(3-methoxycyclohexa-2,4-diene-1-carbonyl)pyrazol-1-yl]-4-methylbenzoic acid

COc1ccc(CN(C)c2cccc(N)c2)cc1OC

3-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-diamine

CCC(Nc1nc(N)nc(OC)n1)C(C)C

6-methoxy-2-N-(2-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine

CCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCC

[(4E,8E,12E)-3-hydroxy-2-[[(27Z,30Z)-octatriaconta-27,30-dienoyl]amino]henicosa-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate

COc1ccc(N)cc1NC(=O)c1sccc1C

N-(5-amino-2-methoxyphenyl)-3-methylthiophene-2-carboxamide

CC(C)N(CC(=O)O)C(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

2-[[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]-propan-2-ylamino]acetic acid

Cl[Si](Cl)(Cl)C1CC2CC1CC2[Si](Cl)(Cl)Cl

trichloro-(5-trichlorosilyl-2-bicyclo[2.2.1]heptanyl)silane

c1ccc2c(c1)c1c(c3ccccc32)S[N+]2(S1)Sc1c(c3ccccc3c3ccccc13)S2

2,2'-spirobi[phenanthro[9,10-d][1,3,2]dithiazol-2-ium]

COc1cc(C)ccc1C(=O)NC1Cc2ccccc2C1

N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-4-methylbenzamide

CS(=O)(=O)c1cc(C#N)c(C#N)c(NNC(=O)Nc2ccc(Cl)cc2Cl)c1

1-(2,4-dichlorophenyl)-3-(2,3-dicyano-5-methylsulfonylanilino)urea

C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1

(2R)-2-(4-fluorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CC4)cc(Cl)nc31)[C@H](O)[C@@H]2O

(1R,2R,3S,4R,5S)-4-[5-chloro-7-(cyclopropylmethylamino)imidazo[4,5-b]pyridin-3-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

CCCNc1ccc(Cl)c(CSc2nccc(C)n2)n1

5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propylpyridin-2-amine

Cc1ccccc1Cn1c(C)c(C(=O)NCc2ccc(C#N)cc2)sc1=O

N-[(4-cyanophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide

Clc1ccccc1NNC(c1ccccc1)(c1ccccc1)c1ccccc1

1-(2-chlorophenyl)-2-tritylhydrazine

N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2CCCO2)CC1

2-(furan-2-yl)-5-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1OCc1ccccc1Cl

(5S)-5-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

C[C@H]1COCCN1C(=O)C12CCC(c3ccc(OC/C(=C/F)CN)cc3)(CC1)CC2

[4-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1-bicyclo[2.2.2]octanyl]-[(3S)-3-methylmorpholin-4-yl]methanone

COCC(NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1

N-[1-(4-chlorophenyl)-2-methoxyethyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

O=C(CCN(CCO)CCO)c1ccc(C(=O)c2ccccc2)cc1

1-(4-benzoylphenyl)-3-[bis(2-hydroxyethyl)amino]propan-1-one

COc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1

2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

CC(=O)c1ccc(-n2cc(C)cn2)c(Cl)c1

1-[3-chloro-4-(4-methylpyrazol-1-yl)phenyl]ethanone

Cc1cc(C(N)=S)cc(OCCOC(C)C)n1

2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide

Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1

3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylbenzonitrile

C/C(Cl)=C\N=C(N)C1=C(C2CCCC2)C2C=CC(C(=O)NC3(C4=NC5C=CC(/C=C/C(=O)O)=CC5N4)CCC3)=CC2N1

(E)-3-[2-[1-[[2-[N'-[(E)-2-chloroprop-1-enyl]carbamimidoyl]-3-cyclopentyl-3a,7a-dihydro-1H-indole-6-carbonyl]amino]cyclobutyl]-3a,7a-dihydro-3H-benzimidazol-5-yl]prop-2-enoic acid

COc1ccc(-c2cc(NC(=O)CNC(=O)c3ccc(F)cc3F)ccc2OC(F)F)cc1

N-[2-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide

CC(C)CC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(Cc1c[nH]c2ccccc12)NCC(CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(N)CCCCN)C(=O)NC(C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)C)c1ccccc1

2-[[2-[[2-[[2-[2-[[1-[2-[[6-amino-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]acetyl]amino]acetyl]amino]hexyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-phenylacetyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

COc1ccc(CC(=O)N2CCN(C(=O)c3cccc(Cl)c3)C(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1

N-benzhydryl-1-(3-chlorobenzoyl)-4-[2-(4-methoxyphenyl)acetyl]piperazine-2-carboxamide

COc1cc(C)ccc1CN1CCCC(c2cc(N(C)C)nc(-c3cccnc3)n2)C1

6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

CCCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC

N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1cn[nH]c1-c1ccc2c(c1)OCO2

[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carboxylate

CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1O

2-cyano-N-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enamide

COc1c(C)cc(Oc2ccccc2)c(Oc2ccccc2)c1C

2-methoxy-1,3-dimethyl-4,5-diphenoxybenzene

Cc1cc(Nc2ccc(F)cc2)nc(NCc2ccccc2Cl)n1

2-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine

Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N)n1

2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-amine

O=C(NCCCN1CCOCC1)c1cnc2c(cnn2Cc2ccccc2)c1

1-benzyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

COc1cccc(S(=O)(=O)C2CCN(C(=O)COc3ccc(CO)cc3)C2)c1

2-[4-(hydroxymethyl)phenoxy]-1-[3-(3-methoxyphenyl)sulfonylpyrrolidin-1-yl]ethanone

CN1C(=O)C2CCC3C4CCC5C(=O)N(CC6CCCC(CN7C(=O)C8CCC9C%10CCC%11C(=O)C(C%12CCCCC%12)C(=O)C%12CCC(C%13CCC(C7=O)C8C9%13)C%10C%11%12)C6)C(=O)C6CCC(C7CCC(C1=O)C2C37)C4C56

7-[[3-[(18-cyclohexyl-6,8,17,19-tetraoxo-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosan-7-yl)methyl]cyclohexyl]methyl]-18-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosane-6,8,17,19-tetrone

CC1OCc2[nH]c(-c3ccc(N)nc3)nc21

5-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyridin-2-amine

CC(NC1CCC(c2ccccc2)CC1)c1ccc(Cl)s1

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylcyclohexan-1-amine

CC(C)(C)[Si](C)(C)OC[C@H](O)C[C@H]1CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1

benzyl (2S,3R,6S)-6-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,3-diphenylmorpholine-4-carboxylate

CCc1nnc(-c2[nH]c(C)c(C(=O)c3cccc(OCCNC(=O)OC(C)(C)C)c3)c2C)o1

tert-butyl N-[2-[3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrole-3-carbonyl]phenoxy]ethyl]carbamate

O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1

N-(4-anilinophenyl)-3-nitrobenzamide

Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc(C3CCC([NH-])CC3)c2C)n[nH]1.[Ac]

actinium;[4-[5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]azanide

Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c1

5-(4-chlorophenyl)-1-(3-methylphenyl)-N-(3-nitrophenyl)-1,2,4-triazole-3-carboxamide

O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1F

4-chloro-2-fluoro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide

COc1ccc(CCNC(=O)C(C)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide

COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3CC(=O)N([C@H](C)CO)C[C@@H]2C)cc1

1-[[(2S,3S)-9-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea