AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-7

SMILES stringlengths 2 1.16k	IUPAC stringlengths 6 4.15k
CCOc1ccc(C2COC(=O)N2)cc1OC	4-(4-ethoxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CC1(/C=C\c2ccc(Nc3nc(Nc4ccccc4)nc(N(CCO)CCCO)n3)cc2S(=O)(=O)O)C=CC(NC2N=C(Nc3ccccc3)NC(N(CCO)CCCO)=N2)=CC1S(=O)(=O)O	2-[(Z)-2-[4-[[2-anilino-6-[2-hydroxyethyl(3-hydroxypropyl)amino]-1,4-dihydro-1,3,5-triazin-4-yl]amino]-1-methyl-6-sulfocyclohexa-2,4-dien-1-yl]ethenyl]-5-[[4-anilino-6-[2-hydroxyethyl(3-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
FC(F)[C@H](c1ccc(Cl)cc1Cl)N1CCNCC1	1-[(1S)-1-(2,4-dichlorophenyl)-2,2-difluoroethyl]piperazine
COc1ccc(F)cc1C[NH+]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1	2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone
Cc1nc2c(cc1C(=O)O)CCc1occc1-2	2-methyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid
Cc1cccc(Nc2ccc(C(=O)Nc3nc(C)cs3)cc2)c1	4-(3-methylanilino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
COc1ccccc1S(=O)(=O)Nc1cc(Br)c2c(c1)C1(CCC1)C(=O)N2	N-(7-bromo-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2-methoxybenzenesulfonamide
Cc1ccc(F)cc1S(=O)(=O)N(CCN)C1CC1	N-(2-aminoethyl)-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide
CNCC(=O)N(C)C1CCN(Cc2ccccc2)CC1C	N-(1-benzyl-3-methylpiperidin-4-yl)-N-methyl-2-(methylamino)acetamide
CCN(CC)CCn1ccc(-c2cnc(N)nc2-c2ccco2)cc1=O	4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-[2-(diethylamino)ethyl]pyridin-2-one
CCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccccc1OCc1cccnc1	N-[2-(butanoylsulfamoyl)phenyl]-2-(pyridin-3-ylmethoxy)benzamide
O=C=NCCCCCC[N+](=O)[O-].O=[N+]([O-])CCCCCC[N+](=O)[O-]	1,6-dinitrohexane;1-isocyanato-6-nitrohexane
c1cnn([C@@H]2CCC[C@@]23CCCO3)c1	1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole
COC(C)CCC(=O)c1ccc(C(F)(F)F)cc1	4-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CCOc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1O	2-[(2-ethoxyphenyl)iminomethyl]-4-nitrophenol
CCNCCC(=O)Nc1ccc(F)c(F)c1F	3-(ethylamino)-N-(2,3,4-trifluorophenyl)propanamide
C=C1c2cc3c(cc2-c2ccc4c([nH]c5cc6c(cc54)[C@@H]4CCCCC4C4=CC=CCC46)c21)C1=C(CCC=C1)C1C=CC=CC31	(18R)-44-methylidene-3-azaundecacyclo[23.19.0.02,22.04,21.06,19.07,12.013,18.026,43.028,41.029,34.035,40]tetratetraconta-1(25),2(22),4,6(19),9,11,20,23,26,28(41),29(34),30,36,38,42-pentadecaene
COC(=O)C(O)CC(=N)c1ccc(C(=O)C(=O)c2ccc(/C=C/C(=O)NNc3ccccc3)cc2)cc1	methyl 2-hydroxy-4-imino-4-[4-[2-oxo-2-[4-[(E)-3-oxo-3-(2-phenylhydrazinyl)prop-1-enyl]phenyl]acetyl]phenyl]butanoate
CCCC(=O)OCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)NC(=[N+]23)N1	4-[(1S,4R,6S,10R)-10-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-en-6-yl]butyl butanoate
CC(C)C(C#N)CN(C)Cc1cc(Cl)ccc1F	2-[[(5-chloro-2-fluorophenyl)methyl-methylamino]methyl]-3-methylbutanenitrile
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)C[C@H]1COc2ccccc2O1	N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CCC(C)(CNS(=O)(=O)N(C)C)C(=O)O	2-[(dimethylsulfamoylamino)methyl]-2-methylbutanoic acid
C[C@H]1C[C@H](C)CN(c2ncnc3sccc23)C1	4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CC1CC(C(=O)O)CCN1C1CCCC1	1-cyclopentyl-2-methylpiperidine-4-carboxylic acid
CCNC(=NCc1ccc(OC)cc1C(F)(F)F)N1CCC(C(=O)OCC)CC1.I	ethyl 1-[N-ethyl-N'-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
O=C(Nc1ccccc1)c1cncs1	N-phenyl-1,3-thiazole-5-carboxamide
CN(c1ccc(Nc2ncc3cc(-c4ncc(-c5cncnc5)cc4Cl)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1	6-(3-chloro-5-pyrimidin-5-ylpyridin-2-yl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4[C@H]5OC[C@]4(COP(O)(=S)O[C@@H]2C3)O[C@H]5n2cnc3c(N)ccnc32)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ccnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H]5OC[C@]4(COP(O)(=S)O[C@@H]2C3)O[C@H]5n2cnc3c(N)ccnc32)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H]5OC[C@]4(COP(O)(=S)O[C@@H]2C3)O[C@H]5n2cnc3c(N)ccnc32)c(=O)[nH]1	2-amino-9-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3-oxo-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9S,14S,15R,19R)-19-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,12-dihydroxy-4,12-bis(sulfanylidene)-3,5,8,11,13,16,18-heptaoxa-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9S,14S,15R,19R)-19-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-12-oxo-12-sulfanyl-4-sulfanylidene-3,5,8,11,13,16,18-heptaoxa-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one
CCCCC(CC)CNC(=O)Nc1cccc(CS(C)(=O)=O)c1	1-(2-ethylhexyl)-3-[3-(methylsulfonylmethyl)phenyl]urea
CC1(C(=O)O)CCCN1C(=O)CCc1cc(F)ccc1F	1-[3-(2,5-difluorophenyl)propanoyl]-2-methylpyrrolidine-2-carboxylic acid
[O-][NH2+]c1ccc(Cl)c(-c2ccc(/C=N/Nc3c(Cl)cc(Cl)cc3Cl)o2)c1	[4-chloro-3-[5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]phenyl]-oxidoazanium
COC(=O)C[C@@H](N)c1cccc(-c2ccccc2)c1	methyl (3R)-3-amino-3-(3-phenylphenyl)propanoate
CCC(C)(C(Cc1nc2ccccc2s1)NN)N(C)C	1-(1,3-benzothiazol-2-yl)-2-hydrazinyl-N,N,3-trimethylpentan-3-amine
CNC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1	(4S)-4-(dimethylamino)-N-methyl-2,2-diphenylpentanamide
CCC1CC1N1CC(=O)NC(Cc2ccccc2)C1=O	3-benzyl-1-(2-ethylcyclopropyl)piperazine-2,5-dione
COc1ccc(C)cc1N1CCCNC(=O)C1	4-(2-methoxy-5-methylphenyl)-1,4-diazepan-2-one
CN1CCC(N(CC2CCOC2)C(=O)CCCc2ccccc2)CC1	N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Cr+3]	chromium(3+);prop-2-enoate
C=C(F)CCN(C)C(=O)c1cc2ccnc(Cl)c2n1CC	7-chloro-1-ethyl-N-(3-fluorobut-3-enyl)-N-methylpyrrolo[2,3-c]pyridine-2-carboxamide
FC(F)(F)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1	1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CCCCCCCC(C)CC(C)C	2,4-dimethylundecane
CCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C	(2S)-2-[(4R,5S)-8-(cyclohexen-1-yl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1λ6,2-benzoxathiazocin-2-yl]propan-1-ol
Cc1noc(C)c1S(=O)(=O)NCC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1	(1,1,1-trifluoro-2-methylpropan-2-yl) N-[4-(3-chloro-4-fluorophenyl)sulfonyl-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CS(=O)(=O)Nc1ccc(C2CC2c2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1	N-[4-[2-[6-[2-(methanesulfonamido)phenyl]-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide
O=C(O)c1cc(SOO)ccc1Cl	2-chloro-5-hydroperoxysulfanylbenzoic acid
CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1ccc(C#N)c(C(F)(F)F)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1F.CC(C)c1ccccc1C(F)(F)F.COc1ccc(F)cc1C(C)C.[C-]#[N+]c1cc(C(C)C)cc(C(F)(F)F)c1	1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-isocyano-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-2-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)pyridine
O=C(N[C@H]1CCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]2C1)[C@@H](O)c1ccccc1	(2S)-N-[(3R,8S,9aS)-3-(1H-indol-3-ylmethyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-hydroxy-2-phenylacetamide
C=CCC(F)(F)C1=CC(C)(S(=O)(=O)Nc2ccc(F)cc2F)CC(C(F)(F)F)=C1	3-(1,1-difluorobut-3-enyl)-N-(2,4-difluorophenyl)-1-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
CCCCCCCCOc1cc(-c2cnc(C#CCCCC(C)OC(C)=O)nc2)cc2c1=c1ccccc1=2	7-[5-(4-octoxybiphenylen-2-yl)pyrimidin-2-yl]hept-6-yn-2-yl acetate
NC(=S)c1ccc(NCC2CCS(=O)(=O)C2)c(F)c1Br	2-bromo-4-[(1,1-dioxothiolan-3-yl)methylamino]-3-fluorobenzenecarbothioamide
CC(C)(C)OC(=O)C1(CSc2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)CCNCC1	tert-butyl 4-[[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]sulfanylmethyl]piperidine-4-carboxylate
Cc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)CC(=O)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1	N-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methyl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CC(C)C1=C(C(=O)N2CCCC2C(=O)OC(C)(C)C)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21	tert-butyl 1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidine-2-carboxylate
O=C1C2CCCN2C(=O)CCN1C1CCS(=O)(=O)CC1	2-(1,1-dioxothian-4-yl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CCCCSc1nnc(SCC(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)s1	ethyl (E)-3-[4-[[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]prop-2-enoate
CC(C)(N)CCC(=O)OCCc1ccc(O)cc1	2-(4-hydroxyphenyl)ethyl 4-amino-4-methylpentanoate
O=C(O)C1CN2C(=O)CN=C2N=C1OC(C1=NCN=C1)C1=NCN=C1	7-[bis(2H-imidazol-4-yl)methoxy]-3-oxo-5,6-dihydro-2H-imidazo[1,2-a]pyrimidine-6-carboxylic acid
COc1ccc(C2CC=CN(C(=O)c3ccc(NC(=O)O)cc3)N2)cc1OC	[4-[6-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyridazine-2-carbonyl]phenyl]carbamic acid
Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)cc1C	N-(1-benzylpyrazol-3-yl)-3,4-dimethylbenzenesulfonamide
CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	[(2S,3R,4S,5R,6S)-4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
NC(N)=NCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)O	2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CCS(=O)(=O)NC(=O)c1cc(F)ccc1N	2-amino-N-ethylsulfonyl-5-fluorobenzamide
COc1ccc(-c2noc(CN3CCN(C(=O)Nc4nc5c(s4)CCCCC5)CC3)n2)cc1	4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide
C=C(C)C1CNc2ccccc2N1	2-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoxaline
CCCCCCCCOCCCCCCCC.O=S(=O)([O-])[O-].[NH4+].[NH4+]	diazanium;1-octoxyoctane;sulfate
C[Si](C)(C)C#C[C@H]1C=CCCC1	2-[(1R)-cyclohex-2-en-1-yl]ethynyl-trimethylsilane
COc1ccc(C(=O)N2C(=O)C(C)Oc3c(C=[Ru](Cl)Cl)cccc32)c(C)c1	dichloro-[[4-(4-methoxy-2-methylbenzoyl)-2-methyl-3-oxo-1,4-benzoxazin-8-yl]methylidene]ruthenium
C#CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCC	N-[4-(3-chloro-4-fluoroanilino)-7-prop-2-ynoxyquinazolin-6-yl]pentanamide
CCNCC(O)Cn1ncc2ccc([N+](=O)[O-])cc21	1-(ethylamino)-3-(6-nitroindazol-1-yl)propan-2-ol
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C\c1ccc(Br)s1	(2S)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CCOc1cc(CCC(=O)N2CCN(C)CC2)cc(N)c1O	3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
Cc1ccccc1C(=O)Nc1ccc(N(C2CCOCC2)S(C)(=O)=O)cc1	2-methyl-N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc2ccccc2c1	(Z)-N-(3-bromophenyl)-2-cyano-3-[4-(naphthalen-2-ylmethoxy)-3-prop-2-enylphenyl]prop-2-enamide
CC(CC1CCCCCN1)NC(C)c1ccc(NC(N)=O)cc1	[4-[1-[1-(azepan-2-yl)propan-2-ylamino]ethyl]phenyl]urea
CCOC(=O)c1c(N)nc2c(c1C(=O)OCC)CCC2	diethyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarboxylate
CCC1CC(Nc2ccccc2)(C(=O)OC)CCO1	methyl 4-anilino-2-ethyloxane-4-carboxylate
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cn1	5-bromo-N-(5-chloropyridin-2-yl)-2-nitrobenzenesulfonamide
CC(C)[N+](C)(C)CC(O)COc1ccccc1C1CCCCC1.[Cl-]	[3-(2-cyclohexylphenoxy)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium;chloride
CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)C2=O)cc1	(3aS,6aR)-3-[2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
CCN1CCC(=O)Nc2cc(OC)c(OC)cc21	5-ethyl-7,8-dimethoxy-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cccnc4s3)C2c2cccc([N+](=O)[O-])c2)o1	4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2H-pyrrol-5-one
COc1ccc(C[C@@H]2c3cc(CO)c(CO)cc3CC[N@@+]2(C)CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N+]2(Cc3cc(OC)c(OC)c(OC)c3)CCOCC2)cc1OC.COc1ccc(C[C@@H]2c3cc(CO)c(CO)cc3CC[N@@+]2(C)CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N+]2(Cc3ccc(OC)c(OC)c3)CCOCC2)cc1OC.COc1ccc(C[N+]2(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]3(C)CCc4cc(CO)c(CO)cc4[C@H]3Cc3cc(OC)c(OC)c(OC)c3)CCOCC2)cc1OC.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]	1-O-[3-[(1R,2S)-6,7-bis(hydroxymethyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[4-[(3,4-dimethoxyphenyl)methyl]morpholin-4-ium-4-yl]propyl] (Z)-2-chlorobut-2-enedioate;carbanide;1-O-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-bis(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[4-[(3,4-dimethoxyphenyl)methyl]morpholin-4-ium-4-yl]propyl] (Z)-2-chlorobut-2-enedioate;1-O-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-bis(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[4-[(3,4,5-trimethoxyphenyl)methyl]morpholin-4-ium-4-yl]propyl] (Z)-2-chlorobut-2-enedioate
N#Cc1nc(COc2ccccc2F)oc1NCc1ccco1	2-[(2-fluorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
O[C@@H]1[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@](c1ccccc1)([C@H]42)[C@H]5I	(1R,2R,3S,4R,5S,6S,7S,8S,9S,10S)-7-iodo-6-phenylpentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol
NC(=O)C1CCCN1C(=O)CCNC(=O)c1cc2ccccc2oc1=O	1-[3-[(2-oxochromene-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide
Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC(C)C)c1	2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O	tert-butyl N-[(1S,4R,6S,7Z,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-hydroxy-12-(2-nitrophenyl)sulfonyl-2,15-dioxo-3,12,16-triazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
C(=NNc1ccccc1)c1ccc(OC2CCOCC2)cc1	N-[[4-(oxan-4-yloxy)phenyl]methylideneamino]aniline
CN(C[C@@H](O)c1cccc(O)c1)C(CC(=O)O)C(=O)O	2-[[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]butanedioic acid
FCC(CF)N1CCc2nc(Br)sc2C1	2-bromo-5-(1,3-difluoropropan-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
OCCn1cnc2c(-c3cnc4[nH]ccc4c3)nc(N3CCOCC3)nc21	2-[2-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-9-yl]ethanol
C=CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1	4-(4-fluorophenyl)-2-prop-2-enyl-3-pyridin-4-yl-1,2-oxazol-5-one
CCN(CC)CCCn1c(SCC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)nc2ccccc2c1=O	2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CC(C)(CC#N)NC(=O)c1cn[nH]c1Nc1ccccc1	5-anilino-N-(1-cyano-2-methylpropan-2-yl)-1H-pyrazole-4-carboxamide
CC(CC(=O)O)Nc1ccc(CC#N)cc1	3-[4-(cyanomethyl)anilino]butanoic acid
CC1(OC(=O)CCNC(=O)C(C)(F)F)CCCCC1	(1-methylcyclohexyl) 3-(2,2-difluoropropanoylamino)propanoate
CN(CCO)C(=O)c1ccc(N)nc1	6-amino-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1	N-[2-(4-chlorophenyl)ethyl]-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
COc1ccc(C)cc1NC(=O)C(C)(C)C(=O)Nc1ccc(Cl)cc1Cl	N-(2,4-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O	6-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

CCOc1ccc(C2COC(=O)N2)cc1OC

4-(4-ethoxy-3-methoxyphenyl)-1,3-oxazolidin-2-one

CC1(/C=C\c2ccc(Nc3nc(Nc4ccccc4)nc(N(CCO)CCCO)n3)cc2S(=O)(=O)O)C=CC(NC2N=C(Nc3ccccc3)NC(N(CCO)CCCO)=N2)=CC1S(=O)(=O)O

2-[(Z)-2-[4-[[2-anilino-6-[2-hydroxyethyl(3-hydroxypropyl)amino]-1,4-dihydro-1,3,5-triazin-4-yl]amino]-1-methyl-6-sulfocyclohexa-2,4-dien-1-yl]ethenyl]-5-[[4-anilino-6-[2-hydroxyethyl(3-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

FC(F)[C@H](c1ccc(Cl)cc1Cl)N1CCNCC1

1-[(1S)-1-(2,4-dichlorophenyl)-2,2-difluoroethyl]piperazine

COc1ccc(F)cc1C[NH+]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1

2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Cc1nc2c(cc1C(=O)O)CCc1occc1-2

2-methyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid

Cc1cccc(Nc2ccc(C(=O)Nc3nc(C)cs3)cc2)c1

4-(3-methylanilino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

COc1ccccc1S(=O)(=O)Nc1cc(Br)c2c(c1)C1(CCC1)C(=O)N2

N-(7-bromo-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2-methoxybenzenesulfonamide

Cc1ccc(F)cc1S(=O)(=O)N(CCN)C1CC1

N-(2-aminoethyl)-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide

CNCC(=O)N(C)C1CCN(Cc2ccccc2)CC1C

N-(1-benzyl-3-methylpiperidin-4-yl)-N-methyl-2-(methylamino)acetamide

CCN(CC)CCn1ccc(-c2cnc(N)nc2-c2ccco2)cc1=O

4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-[2-(diethylamino)ethyl]pyridin-2-one

CCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccccc1OCc1cccnc1

N-[2-(butanoylsulfamoyl)phenyl]-2-(pyridin-3-ylmethoxy)benzamide

O=C=NCCCCCC[N+](=O)[O-].O=[N+]([O-])CCCCCC[N+](=O)[O-]

1,6-dinitrohexane;1-isocyanato-6-nitrohexane

c1cnn([C@@H]2CCC[C@@]23CCCO3)c1

1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole

COC(C)CCC(=O)c1ccc(C(F)(F)F)cc1

4-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one

CCOc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1O

2-[(2-ethoxyphenyl)iminomethyl]-4-nitrophenol

CCNCCC(=O)Nc1ccc(F)c(F)c1F

3-(ethylamino)-N-(2,3,4-trifluorophenyl)propanamide

C=C1c2cc3c(cc2-c2ccc4c([nH]c5cc6c(cc54)[C@@H]4CCCCC4C4=CC=CCC46)c21)C1=C(CCC=C1)C1C=CC=CC31

(18R)-44-methylidene-3-azaundecacyclo[23.19.0.02,22.04,21.06,19.07,12.013,18.026,43.028,41.029,34.035,40]tetratetraconta-1(25),2(22),4,6(19),9,11,20,23,26,28(41),29(34),30,36,38,42-pentadecaene

COC(=O)C(O)CC(=N)c1ccc(C(=O)C(=O)c2ccc(/C=C/C(=O)NNc3ccccc3)cc2)cc1

methyl 2-hydroxy-4-imino-4-[4-[2-oxo-2-[4-[(E)-3-oxo-3-(2-phenylhydrazinyl)prop-1-enyl]phenyl]acetyl]phenyl]butanoate

CCCC(=O)OCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)NC(=[N+]23)N1

4-[(1S,4R,6S,10R)-10-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-en-6-yl]butyl butanoate

CC(C)C(C#N)CN(C)Cc1cc(Cl)ccc1F

2-[[(5-chloro-2-fluorophenyl)methyl-methylamino]methyl]-3-methylbutanenitrile

Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)C[C@H]1COc2ccccc2O1

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

CCC(C)(CNS(=O)(=O)N(C)C)C(=O)O

2-[(dimethylsulfamoylamino)methyl]-2-methylbutanoic acid

C[C@H]1C[C@H](C)CN(c2ncnc3sccc23)C1

4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]thieno[2,3-d]pyrimidine

CC1CC(C(=O)O)CCN1C1CCCC1

1-cyclopentyl-2-methylpiperidine-4-carboxylic acid

CCNC(=NCc1ccc(OC)cc1C(F)(F)F)N1CCC(C(=O)OCC)CC1.I

ethyl 1-[N-ethyl-N'-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide

O=C(Nc1ccccc1)c1cncs1

N-phenyl-1,3-thiazole-5-carboxamide

CN(c1ccc(Nc2ncc3cc(-c4ncc(-c5cncnc5)cc4Cl)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1

6-(3-chloro-5-pyrimidin-5-ylpyridin-2-yl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4[C@H]5OC[C@]4(COP(O)(=S)O[C@@H]2C3)O[C@H]5n2cnc3c(N)ccnc32)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ccnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H]5OC[C@]4(COP(O)(=S)O[C@@H]2C3)O[C@H]5n2cnc3c(N)ccnc32)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H]5OC[C@]4(COP(O)(=S)O[C@@H]2C3)O[C@H]5n2cnc3c(N)ccnc32)c(=O)[nH]1

2-amino-9-[(1S,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-3-oxo-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9S,14S,15R,19R)-19-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,12-dihydroxy-4,12-bis(sulfanylidene)-3,5,8,11,13,16,18-heptaoxa-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9S,14S,15R,19R)-19-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-12-oxo-12-sulfanyl-4-sulfanylidene-3,5,8,11,13,16,18-heptaoxa-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one

CCCCC(CC)CNC(=O)Nc1cccc(CS(C)(=O)=O)c1

1-(2-ethylhexyl)-3-[3-(methylsulfonylmethyl)phenyl]urea

CC1(C(=O)O)CCCN1C(=O)CCc1cc(F)ccc1F

1-[3-(2,5-difluorophenyl)propanoyl]-2-methylpyrrolidine-2-carboxylic acid

[O-][NH2+]c1ccc(Cl)c(-c2ccc(/C=N/Nc3c(Cl)cc(Cl)cc3Cl)o2)c1

[4-chloro-3-[5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]phenyl]-oxidoazanium

COC(=O)C[C@@H](N)c1cccc(-c2ccccc2)c1

methyl (3R)-3-amino-3-(3-phenylphenyl)propanoate

CCC(C)(C(Cc1nc2ccccc2s1)NN)N(C)C

1-(1,3-benzothiazol-2-yl)-2-hydrazinyl-N,N,3-trimethylpentan-3-amine

CNC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1

(4S)-4-(dimethylamino)-N-methyl-2,2-diphenylpentanamide

CCC1CC1N1CC(=O)NC(Cc2ccccc2)C1=O

3-benzyl-1-(2-ethylcyclopropyl)piperazine-2,5-dione

COc1ccc(C)cc1N1CCCNC(=O)C1

4-(2-methoxy-5-methylphenyl)-1,4-diazepan-2-one

CN1CCC(N(CC2CCOC2)C(=O)CCCc2ccccc2)CC1

N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)-4-phenylbutanamide

C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Cr+3]

chromium(3+);prop-2-enoate

C=C(F)CCN(C)C(=O)c1cc2ccnc(Cl)c2n1CC

7-chloro-1-ethyl-N-(3-fluorobut-3-enyl)-N-methylpyrrolo[2,3-c]pyridine-2-carboxamide

FC(F)(F)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[3-(trifluoromethyl)phenyl]thiourea

CCCCCCCC(C)CC(C)C

2,4-dimethylundecane

CCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C

(2S)-2-[(4R,5S)-8-(cyclohexen-1-yl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1λ6,2-benzoxathiazocin-2-yl]propan-1-ol

Cc1noc(C)c1S(=O)(=O)NCC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1

(1,1,1-trifluoro-2-methylpropan-2-yl) N-[4-(3-chloro-4-fluorophenyl)sulfonyl-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

CS(=O)(=O)Nc1ccc(C2CC2c2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1

N-[4-[2-[6-[2-(methanesulfonamido)phenyl]-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide

O=C(O)c1cc(SOO)ccc1Cl

2-chloro-5-hydroperoxysulfanylbenzoic acid

CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1ccc(C#N)c(C(F)(F)F)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1F.CC(C)c1ccccc1C(F)(F)F.COc1ccc(F)cc1C(C)C.[C-]#[N+]c1cc(C(C)C)cc(C(F)(F)F)c1

1,3-difluoro-5-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-isocyano-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-yl-2-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)pyridine

O=C(N[C@H]1CCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]2C1)[C@@H](O)c1ccccc1

(2S)-N-[(3R,8S,9aS)-3-(1H-indol-3-ylmethyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-hydroxy-2-phenylacetamide

C=CCC(F)(F)C1=CC(C)(S(=O)(=O)Nc2ccc(F)cc2F)CC(C(F)(F)F)=C1

3-(1,1-difluorobut-3-enyl)-N-(2,4-difluorophenyl)-1-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

CCCCCCCCOc1cc(-c2cnc(C#CCCCC(C)OC(C)=O)nc2)cc2c1=c1ccccc1=2

7-[5-(4-octoxybiphenylen-2-yl)pyrimidin-2-yl]hept-6-yn-2-yl acetate

NC(=S)c1ccc(NCC2CCS(=O)(=O)C2)c(F)c1Br

2-bromo-4-[(1,1-dioxothiolan-3-yl)methylamino]-3-fluorobenzenecarbothioamide

CC(C)(C)OC(=O)C1(CSc2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)CCNCC1

tert-butyl 4-[[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]sulfanylmethyl]piperidine-4-carboxylate

Cc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)CC(=O)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1

N-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methyl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

CC(C)C1=C(C(=O)N2CCCC2C(=O)OC(C)(C)C)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21

tert-butyl 1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidine-2-carboxylate

O=C1C2CCCN2C(=O)CCN1C1CCS(=O)(=O)CC1

2-(1,1-dioxothian-4-yl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione

CCCCSc1nnc(SCC(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)s1

ethyl (E)-3-[4-[[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]prop-2-enoate

CC(C)(N)CCC(=O)OCCc1ccc(O)cc1

2-(4-hydroxyphenyl)ethyl 4-amino-4-methylpentanoate

O=C(O)C1CN2C(=O)CN=C2N=C1OC(C1=NCN=C1)C1=NCN=C1

7-[bis(2H-imidazol-4-yl)methoxy]-3-oxo-5,6-dihydro-2H-imidazo[1,2-a]pyrimidine-6-carboxylic acid

COc1ccc(C2CC=CN(C(=O)c3ccc(NC(=O)O)cc3)N2)cc1OC

[4-[6-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyridazine-2-carbonyl]phenyl]carbamic acid

Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)cc1C

N-(1-benzylpyrazol-3-yl)-3,4-dimethylbenzenesulfonamide

CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1

[(2S,3R,4S,5R,6S)-4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

NC(N)=NCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)O

2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

CCS(=O)(=O)NC(=O)c1cc(F)ccc1N

2-amino-N-ethylsulfonyl-5-fluorobenzamide

COc1ccc(-c2noc(CN3CCN(C(=O)Nc4nc5c(s4)CCCCC5)CC3)n2)cc1

4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide

C=C(C)C1CNc2ccccc2N1

2-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoxaline

CCCCCCCCOCCCCCCCC.O=S(=O)([O-])[O-].[NH4+].[NH4+]

diazanium;1-octoxyoctane;sulfate

C[Si](C)(C)C#C[C@H]1C=CCCC1

2-[(1R)-cyclohex-2-en-1-yl]ethynyl-trimethylsilane

COc1ccc(C(=O)N2C(=O)C(C)Oc3c(C=[Ru](Cl)Cl)cccc32)c(C)c1

dichloro-[[4-(4-methoxy-2-methylbenzoyl)-2-methyl-3-oxo-1,4-benzoxazin-8-yl]methylidene]ruthenium

C#CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCC

N-[4-(3-chloro-4-fluoroanilino)-7-prop-2-ynoxyquinazolin-6-yl]pentanamide

CCNCC(O)Cn1ncc2ccc([N+](=O)[O-])cc21

1-(ethylamino)-3-(6-nitroindazol-1-yl)propan-2-ol

C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C\c1ccc(Br)s1

(2S)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(4-phenylphenoxy)propanamide

CCOc1cc(CCC(=O)N2CCN(C)CC2)cc(N)c1O

3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one

Cc1ccccc1C(=O)Nc1ccc(N(C2CCOCC2)S(C)(=O)=O)cc1

2-methyl-N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide

C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc2ccccc2c1

(Z)-N-(3-bromophenyl)-2-cyano-3-[4-(naphthalen-2-ylmethoxy)-3-prop-2-enylphenyl]prop-2-enamide

CC(CC1CCCCCN1)NC(C)c1ccc(NC(N)=O)cc1

[4-[1-[1-(azepan-2-yl)propan-2-ylamino]ethyl]phenyl]urea

CCOC(=O)c1c(N)nc2c(c1C(=O)OCC)CCC2

diethyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarboxylate

CCC1CC(Nc2ccccc2)(C(=O)OC)CCO1

methyl 4-anilino-2-ethyloxane-4-carboxylate

O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cn1

5-bromo-N-(5-chloropyridin-2-yl)-2-nitrobenzenesulfonamide

CC(C)[N+](C)(C)CC(O)COc1ccccc1C1CCCCC1.[Cl-]

[3-(2-cyclohexylphenoxy)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium;chloride

CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)C2=O)cc1

(3aS,6aR)-3-[2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione

CCN1CCC(=O)Nc2cc(OC)c(OC)cc21

5-ethyl-7,8-dimethoxy-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cccnc4s3)C2c2cccc([N+](=O)[O-])c2)o1

4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2H-pyrrol-5-one

COc1ccc(C[C@@H]2c3cc(CO)c(CO)cc3CC[N@@+]2(C)CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N+]2(Cc3cc(OC)c(OC)c(OC)c3)CCOCC2)cc1OC.COc1ccc(C[C@@H]2c3cc(CO)c(CO)cc3CC[N@@+]2(C)CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N+]2(Cc3ccc(OC)c(OC)c3)CCOCC2)cc1OC.COc1ccc(C[N+]2(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]3(C)CCc4cc(CO)c(CO)cc4[C@H]3Cc3cc(OC)c(OC)c(OC)c3)CCOCC2)cc1OC.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]

1-O-[3-[(1R,2S)-6,7-bis(hydroxymethyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[4-[(3,4-dimethoxyphenyl)methyl]morpholin-4-ium-4-yl]propyl] (Z)-2-chlorobut-2-enedioate;carbanide;1-O-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-bis(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[4-[(3,4-dimethoxyphenyl)methyl]morpholin-4-ium-4-yl]propyl] (Z)-2-chlorobut-2-enedioate;1-O-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-bis(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[4-[(3,4,5-trimethoxyphenyl)methyl]morpholin-4-ium-4-yl]propyl] (Z)-2-chlorobut-2-enedioate

N#Cc1nc(COc2ccccc2F)oc1NCc1ccco1

2-[(2-fluorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

O[C@@H]1[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@](c1ccccc1)([C@H]42)[C@H]5I

(1R,2R,3S,4R,5S,6S,7S,8S,9S,10S)-7-iodo-6-phenylpentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol

NC(=O)C1CCCN1C(=O)CCNC(=O)c1cc2ccccc2oc1=O

1-[3-[(2-oxochromene-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide

Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC(C)C)c1

2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O

tert-butyl N-[(1S,4R,6S,7Z,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-hydroxy-12-(2-nitrophenyl)sulfonyl-2,15-dioxo-3,12,16-triazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

C(=NNc1ccccc1)c1ccc(OC2CCOCC2)cc1

N-[[4-(oxan-4-yloxy)phenyl]methylideneamino]aniline

CN(C[C@@H](O)c1cccc(O)c1)C(CC(=O)O)C(=O)O

2-[[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]butanedioic acid

FCC(CF)N1CCc2nc(Br)sc2C1

2-bromo-5-(1,3-difluoropropan-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

OCCn1cnc2c(-c3cnc4[nH]ccc4c3)nc(N3CCOCC3)nc21

2-[2-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-9-yl]ethanol

C=CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1

4-(4-fluorophenyl)-2-prop-2-enyl-3-pyridin-4-yl-1,2-oxazol-5-one

CCN(CC)CCCn1c(SCC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)nc2ccccc2c1=O

2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

CC(C)(CC#N)NC(=O)c1cn[nH]c1Nc1ccccc1

5-anilino-N-(1-cyano-2-methylpropan-2-yl)-1H-pyrazole-4-carboxamide

CC(CC(=O)O)Nc1ccc(CC#N)cc1

3-[4-(cyanomethyl)anilino]butanoic acid

CC1(OC(=O)CCNC(=O)C(C)(F)F)CCCCC1

(1-methylcyclohexyl) 3-(2,2-difluoropropanoylamino)propanoate

CN(CCO)C(=O)c1ccc(N)nc1

6-amino-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide

O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1

N-[2-(4-chlorophenyl)ethyl]-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide

COc1ccc(C)cc1NC(=O)C(C)(C)C(=O)Nc1ccc(Cl)cc1Cl

N-(2,4-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide

CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O

6-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile