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

SMILES stringlengths 2 756	IUPAC stringlengths 6 1.26k
CCc1c(-c2ccccc2)c2sc(C)c(C)[n+]2c2ccccc12	5-ethyl-1,2-dimethyl-4-phenyl-[1,3]thiazolo[3,2-a]quinolin-10-ium
Cc1ccc2c(CSCc3nnc(N=Cc4ccccc4)o3)cc(=O)oc2c1	4-[[5-(benzylideneamino)-1,3,4-oxadiazol-2-yl]methylsulfanylmethyl]-7-methylchromen-2-one
COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1S(=O)(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1	2-methoxy-5-[4-(4-methylbenzoyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]sulfonylbenzenesulfonamide
c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5ccc(-c6cc7sc8cccc9c%10ccccc%10n%10c%11ccccc%11c6c%10c7c89)cc5c4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)c2)cc1	22-[7-[4-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-26-thia-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CCCC(=O)N(CC(C)C(=O)O)c1cc(C(=O)O)ccc1C	3-[butanoyl(2-carboxypropyl)amino]-4-methylbenzoic acid
COC(=O)Nc1cccc(NC(=O)CC(N)C2CC2)c1	methyl N-[3-[(3-amino-3-cyclopropylpropanoyl)amino]phenyl]carbamate
C[C@@H](c1cccc(OC(F)(F)F)c1)n1c(=O)cnc2cc([N+](=O)[O-])c(F)cc21	7-fluoro-6-nitro-1-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]quinoxalin-2-one
CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCC[C@H](O)C4)c(F)c3)cc2C#N)CC1	5-[3-fluoro-4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]benzonitrile
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cccc4cc(S(=O)(=O)c5cccc(C(F)(F)F)c5)cnc34)C[C@@H]2C1	tert-butyl (3aS,6aR)-2-[3-[3-(trifluoromethyl)phenyl]sulfonylquinolin-8-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
C1=CC2=C(CC1)C1(c3ccccc3-c3ccccc31)c1cccc(Nc3ccc(-c4ccccc4)cc3)c12	N-(4-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-4-amine
CC(C)[C@@H](N)C(=O)N(CC(=O)O)C(C)C	2-[[(2R)-2-amino-3-methylbutanoyl]-propan-2-ylamino]acetic acid
O=C(NCc1ccco1)c1cncc(Nc2c(F)cccc2F)c1	5-(2,6-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1.C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23.NC(Cc1c[nH]c2ccccc12)C(=O)O	[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate;2-amino-3-(1H-indol-3-yl)propanoic acid;(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
O=C1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCN1Cc1ccc(Cl)cc1	1-[(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one
CCN(CC)CC(C)NCCC#N	3-[1-(diethylamino)propan-2-ylamino]propanenitrile
COc1cc(C2=NN(C3CCC(N4CCN(CCNC(=O)[C@@H](C)CCC5CC(C)CC5CC(C)C)CC4)CC3)C3=NC=NC(N)C23)ccc1NC=O.Cc1cc2ccccc2n1C	(2S)-N-[2-[4-[4-[4-amino-3-(4-formamido-3-methoxyphenyl)-3a,4-dihydropyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethyl]-2-methyl-4-[4-methyl-2-(2-methylpropyl)cyclopentyl]butanamide;1,2-dimethylindole
CC1CCC2(CC1)NC(=O)N(Cc1nc(C3(N)CCC3)no1)C2=O	3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
C[C@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc(Cl)cc3)N21	(2R,5S,6R)-6-(4-chlorophenyl)-4-(4-iodophenyl)-2-methyl-1,3-diazabicyclo[3.1.0]hex-3-ene
COc1cc(/C=C/C(=O)OC2CCCC(C)C2)cc(OC)c1OC	(3-methylcyclohexyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CC(C)O.CC(C)O.[Ti].c1ccc2cc(OOc3ccc4ccccc4c3)ccc2c1	2-naphthalen-2-ylperoxynaphthalene;propan-2-ol;titanium
C[C@@H](NC(=O)C1CCCNC1)c1cccs1	N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)C3c2cccs2)cc1OC	9-(3,4-dimethoxyphenyl)-5-(2-methylpropanoyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CC(=O)SCP(=O)(CO)CO	S-[bis(hydroxymethyl)phosphorylmethyl] ethanethioate
CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl	(2S)-2-(3-chlorophenoxy)-N-(2,5-dichlorophenyl)butanamide
CCn1c(-c2ccc(Br)cc2)csc1=NN=C(C)c1nn(-c2ccccc2)c(=N)s1	5-[N-[[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]-C-methylcarbonimidoyl]-3-phenyl-1,3,4-thiadiazol-2-imine
O=C(OCCOC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CC=CCC1	2-[(1R)-cyclohex-3-ene-1-carbonyl]oxyethyl (1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CC(Cc1cccs1)N(C)CC(C)(C)N1CCNCC1	N,2-dimethyl-2-piperazin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CC1Nc2ccn3ncc(c3n2)NC(=O)C[C@H](C)Oc2ccc(F)cc21	(11S)-6-fluoro-3,11-dimethyl-10-oxa-2,14,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-one
COc1ccc(C23CCC(NC(=O)O)CC2N(Cc2ccccc2)CC3)cc1OC	[1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]carbamic acid
C=CC[C@H]1CCC[C@@H](C)C1=O	(2R,6R)-2-methyl-6-prop-2-enylcyclohexan-1-one
CC(C)c1nc(C(O)(c2cn(C)c(C(C)C)n2)c2cn(C)c(C(C)C)n2)cn1C.O=N[O-].[Cu+]	copper(1+);tris(1-methyl-2-propan-2-ylimidazol-4-yl)methanol;nitrite
Cc1ccc(OCCCCNC(C)C)cc1	4-(4-methylphenoxy)-N-propan-2-ylbutan-1-amine
Cc1ccc(CN2CC(C)NCC2CO)cc1	[5-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanol
CN(C(=O)C(C)(N)Cc1ccccc1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(Cl)ccc23)cc1	2-amino-N-[4-[[(6-chloro-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N,2-dimethyl-3-phenylpropanamide
Cc1ccc(C2=NN(C(=O)CN3CCNC(=O)C3C(C)C)C(c3ccco3)C2)cc1	4-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propan-2-ylpiperazin-2-one
CCOc1ccc(C(C)NC(=O)c2sc(CC)nc2C)cc1OCC	N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CC[C@@H](COC)N[C@H](C)c1cccc(O)c1	3-[(1R)-1-[[(2S)-1-methoxybutan-2-yl]amino]ethyl]phenol
NC(=O)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O	(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
COc1ccc(CCN2CCN(C(=O)Cc3c(C)[nH]c4ccccc34)CC2)cc1	1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)c1	N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
O=C(NCCNC(=O)N1CCCCC1)N1CCCCC1	N-[2-(piperidine-1-carbonylamino)ethyl]piperidine-1-carboxamide
CC(C)C(CC(=O)O)C1CCCO1	4-methyl-3-(oxolan-2-yl)pentanoic acid
CS(=O)(=O)N1CC2(CCC(C(=O)NC(Cc3ccncc3)C(=O)NCc3ccccc3)CC2)c2ccccc21	N-[1-(benzylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
CCOC(=O)OCCS(=O)(=O)CC	ethyl 2-ethylsulfonylethyl carbonate
NC(CCc1ccccc1)c1cc(I)ccc1Br	1-(2-bromo-5-iodophenyl)-3-phenylpropan-1-amine
C#CC[Si]1(c2ccccc2N(C2=CCC3=C(C=C2)c2ccc(C=Cc4ccc(N5c6ccccc6CCc6ccccc65)cc4)cc2C3(C)C)C(C)C=CC)CCCC1	2-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-10,10-dimethyl-N-pent-3-en-2-yl-N-[2-(1-prop-2-ynylsilolan-1-yl)phenyl]-9H-benzo[a]azulen-7-amine
CCN(Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1	2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CC(C)Cn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccco1	(2R)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CC1CN(c2ccc(CNCc3cncn3C)cn2)CC(C)O1	1-[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CCCCC1(C(=O)OCC)CCN(OC(=O)C(F)(F)F)CC1	ethyl 4-butyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CCCCCCCCC1CCC(O)(c2ccc(F)c(F)c2)CC1	1-(3,4-difluorophenyl)-4-octylcyclohexan-1-ol
CCC(C)C(NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C1CCCN1)C(=O)O	2-[[1-[4-carboxy-2-(pyrrolidine-2-carbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
C/C(=N\NC(=O)c1ccc(Cl)cc1)C(C)(C)c1cc(-c2ccccc2)nn1-c1ccccc1	4-chloro-N-[(E)-[3-(2,5-diphenylpyrazol-3-yl)-3-methylbutan-2-ylidene]amino]benzamide
Cc1cc(C)cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c1	[2-(3,5-dimethylanilino)-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CC(C(=O)Nc1ccnn1C(C)C)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	N-(2-propan-2-ylpyrazol-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propanamide
Cc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1N	4-amino-N-[6-(dimethylamino)pyridin-3-yl]-3-methylbenzamide
CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(N)C(C)C)C(=O)NCC(=O)O	2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetic acid
COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2B(O)OC3)n1	5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)pyrimidine-2,4-diamine
CCN(CC)S(=O)(=O)c1cccc(C(=O)OCCc2ccc(OC)cc2)c1	2-(4-methoxyphenyl)ethyl 3-(diethylsulfamoyl)benzoate
CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Cl)c(OS(C)(=O)=O)c1	[2-[[(2-chlorobenzoyl)-[(4-fluorophenyl)methyl]amino]methyl]-5-(diethylamino)phenyl] methanesulfonate
CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](C(Cl)=Cc2coc(CO)n2)C/C=C(/C)CCC[C@H](C)[C@@H]1O	(4S,7R,8S,9S,13Z,16S)-16-[1-chloro-2-[2-(hydroxymethyl)-1,3-oxazol-4-yl]ethenyl]-7-ethyl-4,8-dihydroxy-5,5,9,13-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione
O=c1ncc2cncnc2n1O	1-hydroxypyrimido[4,5-d]pyrimidin-2-one
Cc1onc(-c2ccccc2)c1C(=O)NC(=O)C1CCNCC1	5-methyl-3-phenyl-N-(piperidine-4-carbonyl)-1,2-oxazole-4-carboxamide
CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	(4E,5S)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CCn1c(=NC(=O)c2ccn(C(C)C)n2)sc2cc(F)ccc21	N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-1-propan-2-ylpyrazole-3-carboxamide
CN=C(NCc1ccc(OC)cc1)NCC(O)c1cc2ccccc2s1.I	1-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CC(C)N1CCN(C(=O)CN2C(=O)C3CCCN3C(=O)c3cc(F)ccc32)CC1	2-fluoro-5-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CC1(c2noc(CCCl)n2)CCCCC1	5-(2-chloroethyl)-3-(1-methylcyclohexyl)-1,2,4-oxadiazole
CCCCCCOc1ccc(C(=O)NNC(=O)CN2C(=O)COc3ccccc32)cc1	4-hexoxy-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide
CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1F.COCCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1.COc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1OC(C)(C)C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)(C)CN3C)ccc1OC(C)C.[HH]	[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2,4,4-trimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CCCC/C=C/CC(C(C)=O)C(C)=O	3-[(E)-hept-2-enyl]pentane-2,4-dione
Brc1ccc(OC2CC2)c(SC2CCOCC2)c1	4-(5-bromo-2-cyclopropyloxyphenyl)sulfanyloxane
N#Cc1ccc(Nc2nncc(Nc3ccc(Cl)c(Cl)c3)n2)cc1	4-[[5-(3,4-dichloroanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
COC(=O)c1nc2n(c(=O)c1O)CCCC2N(C)C	methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
NC1CCCCCC1Nc1ncc(Br)cc1Br	1-N-(3,5-dibromopyridin-2-yl)cycloheptane-1,2-diamine
COC(=O)C1=C(N)Oc2n[nH]c(-c3ccccc3)c2C12C(=O)N(Cc1c(F)cccc1Cl)c1ccccc12	methyl 6-amino-1'-[(2-chloro-6-fluorophenyl)methyl]-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
N#CCc1cc([N+](=O)[O-])ccc1C#N	2-(cyanomethyl)-4-nitrobenzonitrile
CC(NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccncc1	3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)-N-(1-pyridin-4-ylethyl)propanamide
CCOC1CC(CC(=O)N(CC)CCCCl)C1	N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)-N-ethylacetamide
O=C1Nc2ccccc2[C@H](C(=O)N[C@H](c2c(F)ccc(Cl)c2F)C2CCCC2)CC2OC2N1	(2R)-N-[(S)-(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]-8-oxo-5-oxa-7,9-diazatricyclo[8.4.0.04,6]tetradeca-1(14),10,12-triene-2-carboxamide
COC(=O)C1(C(c2ccc[nH]2)N(C)C)CCC1	methyl 1-[dimethylamino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carboxylate
CC(NC(=O)C1CCCC2CNNC21)c1ccc2c(c1)CCCC2	N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide
CCn1cc(NC(=O)C(F)(F)C2(O)CCC2)ccc1=O	N-(1-ethyl-6-oxopyridin-3-yl)-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CC(O)C1CCN(S(=O)(=O)CCOc2cccc(N)c2)C1	1-[1-[2-(3-aminophenoxy)ethylsulfonyl]pyrrolidin-3-yl]ethanol
Cn1cc2c(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc(C3(O)CCOCC3)c2n1	6-[[2,6-difluoro-4-[7-(4-hydroxyoxan-4-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
O=c1[nH]cnc2c([C@@H]3C[C@H](CO)C(O)C3O)c[nH]c12	7-[(1S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
NNC(=O)c1ccc(OCCSc2nncn2N)cc1	4-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzohydrazide
CCCN(N)c1n[nH]c(N)n1	3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine
CC1=C(C(=O)O)C(c2cccc3c2OCO3)C(CCN(C)Cc2ccc(F)cc2)(C(=O)O)C(C)N1	4-(1,3-benzodioxol-4-yl)-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid
Oc1cccc2c(C(F)(F)F)cccc12	5-(trifluoromethyl)naphthalen-1-ol
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCC	[(12Z,15Z)-32-(1,3-dihydroxytricosan-2-ylamino)-32-oxodotriaconta-12,15-dienyl] (9Z,12Z)-octadeca-9,12-dienoate
NCc1cc(F)ccc1-c1sccc1Cl	[2-(3-chlorothiophen-2-yl)-5-fluorophenyl]methanamine
CCCCCC1=NN=NC1=S(=O)=O	4-pentyl-5-sulfonyltriazole
[C-]#[N+]c1ccc2ncn(C[C@H]3CCC[C@]4(C3)CN(Cc3ccccc3OCC)C(=O)O4)c2c1	(5S,7S)-3-[(2-ethoxyphenyl)methyl]-7-[(6-isocyanobenzimidazol-1-yl)methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CCC(=O)NC1CCN(C(=O)c2cc(C)ccc2N)CC1	N-[1-(2-amino-5-methylbenzoyl)piperidin-4-yl]propanamide
Cc1cc2nnc(Sc3ccncn3)n2c2ccccc12	5-methyl-1-pyrimidin-4-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline
O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)C(=O)N1CCc2cccc(CO)c2C1	N-[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[8-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoacetamide
COC(=O)CC1CN(C(C)(C)C)C(=O)O1	methyl 2-(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)acetate
N#Cc1ccc(N2CCC(NC(=O)c3cc4ccc(Br)cc4[nH]3)CC2)cc1	6-bromo-N-[1-(4-cyanophenyl)piperidin-4-yl]-1H-indole-2-carboxamide
CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2Br)CC1	6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine

CCc1c(-c2ccccc2)c2sc(C)c(C)[n+]2c2ccccc12

5-ethyl-1,2-dimethyl-4-phenyl-[1,3]thiazolo[3,2-a]quinolin-10-ium

Cc1ccc2c(CSCc3nnc(N=Cc4ccccc4)o3)cc(=O)oc2c1

4-[[5-(benzylideneamino)-1,3,4-oxadiazol-2-yl]methylsulfanylmethyl]-7-methylchromen-2-one

COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1S(=O)(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1

2-methoxy-5-[4-(4-methylbenzoyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]sulfonylbenzenesulfonamide

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5ccc(-c6cc7sc8cccc9c%10ccccc%10n%10c%11ccccc%11c6c%10c7c89)cc5c4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)c2)cc1

22-[7-[4-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-26-thia-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

CCCC(=O)N(CC(C)C(=O)O)c1cc(C(=O)O)ccc1C

3-[butanoyl(2-carboxypropyl)amino]-4-methylbenzoic acid

COC(=O)Nc1cccc(NC(=O)CC(N)C2CC2)c1

methyl N-[3-[(3-amino-3-cyclopropylpropanoyl)amino]phenyl]carbamate

C[C@@H](c1cccc(OC(F)(F)F)c1)n1c(=O)cnc2cc([N+](=O)[O-])c(F)cc21

7-fluoro-6-nitro-1-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]quinoxalin-2-one

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCC[C@H](O)C4)c(F)c3)cc2C#N)CC1

5-[3-fluoro-4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]benzonitrile

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cccc4cc(S(=O)(=O)c5cccc(C(F)(F)F)c5)cnc34)C[C@@H]2C1

tert-butyl (3aS,6aR)-2-[3-[3-(trifluoromethyl)phenyl]sulfonylquinolin-8-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

C1=CC2=C(CC1)C1(c3ccccc3-c3ccccc31)c1cccc(Nc3ccc(-c4ccccc4)cc3)c12

N-(4-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-4-amine

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

2-[[(2R)-2-amino-3-methylbutanoyl]-propan-2-ylamino]acetic acid

O=C(NCc1ccco1)c1cncc(Nc2c(F)cccc2F)c1

5-(2,6-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1.C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23.NC(Cc1c[nH]c2ccccc12)C(=O)O

[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate;2-amino-3-(1H-indol-3-yl)propanoic acid;(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione

O=C1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCN1Cc1ccc(Cl)cc1

1-[(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one

CCN(CC)CC(C)NCCC#N

3-[1-(diethylamino)propan-2-ylamino]propanenitrile

COc1cc(C2=NN(C3CCC(N4CCN(CCNC(=O)[C@@H](C)CCC5CC(C)CC5CC(C)C)CC4)CC3)C3=NC=NC(N)C23)ccc1NC=O.Cc1cc2ccccc2n1C

(2S)-N-[2-[4-[4-[4-amino-3-(4-formamido-3-methoxyphenyl)-3a,4-dihydropyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethyl]-2-methyl-4-[4-methyl-2-(2-methylpropyl)cyclopentyl]butanamide;1,2-dimethylindole

CC1CCC2(CC1)NC(=O)N(Cc1nc(C3(N)CCC3)no1)C2=O

3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C[C@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc(Cl)cc3)N21

(2R,5S,6R)-6-(4-chlorophenyl)-4-(4-iodophenyl)-2-methyl-1,3-diazabicyclo[3.1.0]hex-3-ene

COc1cc(/C=C/C(=O)OC2CCCC(C)C2)cc(OC)c1OC

(3-methylcyclohexyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

CC(C)O.CC(C)O.[Ti].c1ccc2cc(OOc3ccc4ccccc4c3)ccc2c1

2-naphthalen-2-ylperoxynaphthalene;propan-2-ol;titanium

C[C@@H](NC(=O)C1CCCNC1)c1cccs1

N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide

COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)C3c2cccs2)cc1OC

9-(3,4-dimethoxyphenyl)-5-(2-methylpropanoyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

CC(=O)SCP(=O)(CO)CO

S-[bis(hydroxymethyl)phosphorylmethyl] ethanethioate

CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl

(2S)-2-(3-chlorophenoxy)-N-(2,5-dichlorophenyl)butanamide

CCn1c(-c2ccc(Br)cc2)csc1=NN=C(C)c1nn(-c2ccccc2)c(=N)s1

5-[N-[[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]-C-methylcarbonimidoyl]-3-phenyl-1,3,4-thiadiazol-2-imine

O=C(OCCOC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CC=CCC1

2-[(1R)-cyclohex-3-ene-1-carbonyl]oxyethyl (1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate

CC(Cc1cccs1)N(C)CC(C)(C)N1CCNCC1

N,2-dimethyl-2-piperazin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine

CC1Nc2ccn3ncc(c3n2)NC(=O)C[C@H](C)Oc2ccc(F)cc21

(11S)-6-fluoro-3,11-dimethyl-10-oxa-2,14,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-one

COc1ccc(C23CCC(NC(=O)O)CC2N(Cc2ccccc2)CC3)cc1OC

[1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]carbamic acid

C=CC[C@H]1CCC[C@@H](C)C1=O

(2R,6R)-2-methyl-6-prop-2-enylcyclohexan-1-one

CC(C)c1nc(C(O)(c2cn(C)c(C(C)C)n2)c2cn(C)c(C(C)C)n2)cn1C.O=N[O-].[Cu+]

copper(1+);tris(1-methyl-2-propan-2-ylimidazol-4-yl)methanol;nitrite

Cc1ccc(OCCCCNC(C)C)cc1

4-(4-methylphenoxy)-N-propan-2-ylbutan-1-amine

Cc1ccc(CN2CC(C)NCC2CO)cc1

[5-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanol

CN(C(=O)C(C)(N)Cc1ccccc1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(Cl)ccc23)cc1

2-amino-N-[4-[[(6-chloro-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N,2-dimethyl-3-phenylpropanamide

Cc1ccc(C2=NN(C(=O)CN3CCNC(=O)C3C(C)C)C(c3ccco3)C2)cc1

4-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propan-2-ylpiperazin-2-one

CCOc1ccc(C(C)NC(=O)c2sc(CC)nc2C)cc1OCC

N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

CC[C@@H](COC)N[C@H](C)c1cccc(O)c1

3-[(1R)-1-[[(2S)-1-methoxybutan-2-yl]amino]ethyl]phenol

NC(=O)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid

COc1ccc(CCN2CCN(C(=O)Cc3c(C)[nH]c4ccccc34)CC2)cc1

1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone

c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)c1

N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline

O=C(NCCNC(=O)N1CCCCC1)N1CCCCC1

N-[2-(piperidine-1-carbonylamino)ethyl]piperidine-1-carboxamide

CC(C)C(CC(=O)O)C1CCCO1

4-methyl-3-(oxolan-2-yl)pentanoic acid

CS(=O)(=O)N1CC2(CCC(C(=O)NC(Cc3ccncc3)C(=O)NCc3ccccc3)CC2)c2ccccc21

N-[1-(benzylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide

CCOC(=O)OCCS(=O)(=O)CC

ethyl 2-ethylsulfonylethyl carbonate

NC(CCc1ccccc1)c1cc(I)ccc1Br

1-(2-bromo-5-iodophenyl)-3-phenylpropan-1-amine

C#CC[Si]1(c2ccccc2N(C2=CCC3=C(C=C2)c2ccc(C=Cc4ccc(N5c6ccccc6CCc6ccccc65)cc4)cc2C3(C)C)C(C)C=CC)CCCC1

2-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-10,10-dimethyl-N-pent-3-en-2-yl-N-[2-(1-prop-2-ynylsilolan-1-yl)phenyl]-9H-benzo[a]azulen-7-amine

CCN(Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1

2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

CC(C)Cn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccco1

(2R)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

CC1CN(c2ccc(CNCc3cncn3C)cn2)CC(C)O1

1-[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

CCCCC1(C(=O)OCC)CCN(OC(=O)C(F)(F)F)CC1

ethyl 4-butyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate

CCCCCCCCC1CCC(O)(c2ccc(F)c(F)c2)CC1

1-(3,4-difluorophenyl)-4-octylcyclohexan-1-ol

CCC(C)C(NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C1CCCN1)C(=O)O

2-[[1-[4-carboxy-2-(pyrrolidine-2-carbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

C/C(=N\NC(=O)c1ccc(Cl)cc1)C(C)(C)c1cc(-c2ccccc2)nn1-c1ccccc1

4-chloro-N-[(E)-[3-(2,5-diphenylpyrazol-3-yl)-3-methylbutan-2-ylidene]amino]benzamide

Cc1cc(C)cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c1

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

CC(C(=O)Nc1ccnn1C(C)C)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

N-(2-propan-2-ylpyrazol-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propanamide

Cc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1N

4-amino-N-[6-(dimethylamino)pyridin-3-yl]-3-methylbenzamide

CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(N)C(C)C)C(=O)NCC(=O)O

2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetic acid

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2B(O)OC3)n1

5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)pyrimidine-2,4-diamine

CCN(CC)S(=O)(=O)c1cccc(C(=O)OCCc2ccc(OC)cc2)c1

2-(4-methoxyphenyl)ethyl 3-(diethylsulfamoyl)benzoate

CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Cl)c(OS(C)(=O)=O)c1

[2-[[(2-chlorobenzoyl)-[(4-fluorophenyl)methyl]amino]methyl]-5-(diethylamino)phenyl] methanesulfonate

CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](C(Cl)=Cc2coc(CO)n2)C/C=C(/C)CCC[C@H](C)[C@@H]1O

(4S,7R,8S,9S,13Z,16S)-16-[1-chloro-2-[2-(hydroxymethyl)-1,3-oxazol-4-yl]ethenyl]-7-ethyl-4,8-dihydroxy-5,5,9,13-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione

O=c1ncc2cncnc2n1O

1-hydroxypyrimido[4,5-d]pyrimidin-2-one

Cc1onc(-c2ccccc2)c1C(=O)NC(=O)C1CCNCC1

5-methyl-3-phenyl-N-(piperidine-4-carbonyl)-1,2-oxazole-4-carboxamide

CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1

(4E,5S)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

CCn1c(=NC(=O)c2ccn(C(C)C)n2)sc2cc(F)ccc21

N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-1-propan-2-ylpyrazole-3-carboxamide

CN=C(NCc1ccc(OC)cc1)NCC(O)c1cc2ccccc2s1.I

1-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide

CC(C)N1CCN(C(=O)CN2C(=O)C3CCCN3C(=O)c3cc(F)ccc32)CC1

2-fluoro-5-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

CC1(c2noc(CCCl)n2)CCCCC1

5-(2-chloroethyl)-3-(1-methylcyclohexyl)-1,2,4-oxadiazole

CCCCCCOc1ccc(C(=O)NNC(=O)CN2C(=O)COc3ccccc32)cc1

4-hexoxy-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide

CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1F.COCCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1.COc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1OC(C)(C)C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)(C)CN3C)ccc1OC(C)C.[HH]

[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2,4,4-trimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

CCCC/C=C/CC(C(C)=O)C(C)=O

3-[(E)-hept-2-enyl]pentane-2,4-dione

Brc1ccc(OC2CC2)c(SC2CCOCC2)c1

4-(5-bromo-2-cyclopropyloxyphenyl)sulfanyloxane

N#Cc1ccc(Nc2nncc(Nc3ccc(Cl)c(Cl)c3)n2)cc1

4-[[5-(3,4-dichloroanilino)-1,2,4-triazin-3-yl]amino]benzonitrile

COC(=O)c1nc2n(c(=O)c1O)CCCC2N(C)C

methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

NC1CCCCCC1Nc1ncc(Br)cc1Br

1-N-(3,5-dibromopyridin-2-yl)cycloheptane-1,2-diamine

COC(=O)C1=C(N)Oc2n[nH]c(-c3ccccc3)c2C12C(=O)N(Cc1c(F)cccc1Cl)c1ccccc12

methyl 6-amino-1'-[(2-chloro-6-fluorophenyl)methyl]-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate

N#CCc1cc([N+](=O)[O-])ccc1C#N

2-(cyanomethyl)-4-nitrobenzonitrile

CC(NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccncc1

3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)-N-(1-pyridin-4-ylethyl)propanamide

CCOC1CC(CC(=O)N(CC)CCCCl)C1

N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)-N-ethylacetamide

O=C1Nc2ccccc2[C@H](C(=O)N[C@H](c2c(F)ccc(Cl)c2F)C2CCCC2)CC2OC2N1

(2R)-N-[(S)-(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]-8-oxo-5-oxa-7,9-diazatricyclo[8.4.0.04,6]tetradeca-1(14),10,12-triene-2-carboxamide

COC(=O)C1(C(c2ccc[nH]2)N(C)C)CCC1

methyl 1-[dimethylamino(1H-pyrrol-2-yl)methyl]cyclobutane-1-carboxylate

CC(NC(=O)C1CCCC2CNNC21)c1ccc2c(c1)CCCC2

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide

CCn1cc(NC(=O)C(F)(F)C2(O)CCC2)ccc1=O

N-(1-ethyl-6-oxopyridin-3-yl)-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide

CC(O)C1CCN(S(=O)(=O)CCOc2cccc(N)c2)C1

1-[1-[2-(3-aminophenoxy)ethylsulfonyl]pyrrolidin-3-yl]ethanol

Cn1cc2c(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc(C3(O)CCOCC3)c2n1

6-[[2,6-difluoro-4-[7-(4-hydroxyoxan-4-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

O=c1[nH]cnc2c([C@@H]3C[C@H](CO)C(O)C3O)c[nH]c12

7-[(1S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

NNC(=O)c1ccc(OCCSc2nncn2N)cc1

4-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzohydrazide

CCCN(N)c1n[nH]c(N)n1

3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine

CC1=C(C(=O)O)C(c2cccc3c2OCO3)C(CCN(C)Cc2ccc(F)cc2)(C(=O)O)C(C)N1

4-(1,3-benzodioxol-4-yl)-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid

Oc1cccc2c(C(F)(F)F)cccc12

5-(trifluoromethyl)naphthalen-1-ol

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCC

[(12Z,15Z)-32-(1,3-dihydroxytricosan-2-ylamino)-32-oxodotriaconta-12,15-dienyl] (9Z,12Z)-octadeca-9,12-dienoate

NCc1cc(F)ccc1-c1sccc1Cl

[2-(3-chlorothiophen-2-yl)-5-fluorophenyl]methanamine

CCCCCC1=NN=NC1=S(=O)=O

4-pentyl-5-sulfonyltriazole

[C-]#[N+]c1ccc2ncn(C[C@H]3CCC[C@]4(C3)CN(Cc3ccccc3OCC)C(=O)O4)c2c1

(5S,7S)-3-[(2-ethoxyphenyl)methyl]-7-[(6-isocyanobenzimidazol-1-yl)methyl]-1-oxa-3-azaspiro[4.5]decan-2-one

CCC(=O)NC1CCN(C(=O)c2cc(C)ccc2N)CC1

N-[1-(2-amino-5-methylbenzoyl)piperidin-4-yl]propanamide

Cc1cc2nnc(Sc3ccncn3)n2c2ccccc12

5-methyl-1-pyrimidin-4-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline

O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)C(=O)N1CCc2cccc(CO)c2C1

N-[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[8-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoacetamide

COC(=O)CC1CN(C(C)(C)C)C(=O)O1

methyl 2-(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)acetate

N#Cc1ccc(N2CCC(NC(=O)c3cc4ccc(Br)cc4[nH]3)CC2)cc1

6-bromo-N-[1-(4-cyanophenyl)piperidin-4-yl]-1H-indole-2-carboxamide

CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2Br)CC1

6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine