Input: 3-[9-[5-[4-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole

Output: FC1=CC=C(N2C3=CC=CC=C3C3=CC(C4=CC=C5C(=C4)C4=CC=CC=C4N5C4=NC=C(C5=CC=C(C6=CC(C7=CC=CC=C7)=CC(C7=CC=CC=C7)=C6)C=C5)C=N4)=CC=C32)C=C1


Input: [(S)-[3-[[4-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethyl]carbamic acid

Output: O=C(O)NC(C1=CC=CC=C1)C1=CC=CC(OCC2=CC=C(C(=O)N3CCC(NCC(O)C4=CC=C(O)C5=C4C=CC(=O)N5)CC3)C=C2)=C1


Input: (E)-4,5,5,6,6-pentafluoro-4-(trifluoromethyl)hept-2-ene

Output: CC=CC(F)(C(F)(F)F)C(F)(F)C(C)(F)F


Input: 1'-acetyl-5-[5-(azetidin-1-yl)-5-oxopentyl]-N-(5-chloro-1,3-thiazol-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide

Output: CC(=O)N1CCC2(C1)CN(C(=O)NC1=NC=C(Cl)S1)C1=CC=C(CCCCC(=O)N3CCC3)C=C12


Input: 2-[2-[(5-chloro-1'-methoxycarbonylspiro[2H-indole-3,3'-pyrrolidine]-1-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

Output: COC(=O)N1CCC2(C1)CN(C(=O)NC1=NC(CC(=O)O)=CS1)C1=CC=C(Cl)C=C12


Input: (3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol;hydrate


Input: N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

Output: COC1=C(C)C=C(S(=O)(=O)NCC2=CC=C(C(=O)C3=CC=CO3)S2)C=C1C


Input: 1-[(1'R,4R,10'S)-1,1-dioxo-2-propylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-yl]-3-(4-fluorophenyl)propane-1,3-dione

Output: CCCN1CC2(NS1(=O)=O)C1CCC2CC2=CC(C(=O)CC(=O)C3=CC=C(F)C=C3)=CC=C2C1


Input: 3,3-difluoro-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-one


Output: CCOC(=O)CCCCCS(=O)[O-]


Input: S-[3-[[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate

Output: CC(=O)SC1CCNCC1=CC1=NN(CC2=CSC=N2)C=C1


Input: 7-(dimethylamino)-3,4-dihydro-2H-phenanthren-1-one


Input: 13-ethenyl-11-methoxy-8,16-bis(phenylmethoxy)-4,19-di(propan-2-yl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15,17,19-pentaene-10,12,14-trione

Output: C=CC12C(=O)C3=C(OCC4=CC=CC=C4)C=CC(C(C)C)=C3CC1CC1C(C(C)C)C3=C(C(=O)C1(OC)C2=O)C(OCC1=CC=CC=C1)=NO3


Input: [6-bromo-4-[[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]amino]quinazolin-7-yl]-(4,5-dihydro-1,3-thiazol-2-yl)methanol

Output: COCC(NC1=NC=NC2=CC(C(O)C3=NCCS3)=C(Br)C=C12)C1=NC2=CC=C(Cl)C=C2N1


Input: (4R,4aS,5R,5aS,6S,12aR)-9-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-4-(dimethylamino)-5,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Output: CC1C2=CC=C(C=CC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C(O)=C2C(=O)C2C(=O)C3(O)C(=O)C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21


Input: 4-[4-[(2-bromophenyl)methyl]-4-methoxycyclohexyl]-N-cyano-N'-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylpiperazine-1-carboximidamide

Output: COC1(CC2=CC=CC=C2Br)CCC(N2CCN(C(=NS(=O)(=O)C3=CC=C(NC(CCN(C)C)CSC4=CC=CC=C4)C([N+](=O)[O-])=C3)NC#N)CC2)CC1


Input: tert-butyl N-[1-(6-oxoheptylamino)propan-2-ylidene]carbamate;7-(2-methyliminopropylamino)heptan-2-one

Output: CC(=O)CCCCCNCC(C)=NC(=O)OC(C)(C)C;CN=C(C)CNCCCCCC(C)=O


Input: hydroxy-methyl-oxo-[(5-phenyl-1,2,4-thiadiazol-3-yl)methylidene]-lambda6-sulfane


Input: (7R,13S)-3-methoxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)non-2-enyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol

Output: COC1=CC=C2C(=C1)CC(CC=CCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C1C2CCC2(C)C(O)CCC12


Input: 5-[bis(2-aminoethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid

Output: NCCN(CCN)C1=C(I)C(C(=O)O)=C(I)C(C(=O)O)=C1I


Input: 3-heptadecan-2-yl-2-tetracosan-8-yl-1H-imidazol-3-ium

Output: CCCCCCCCCCCCCCCCC(CCCCCCC)C1=[N+](C(C)CCCCCCCCCCCCCCC)C=CN1


Input: 1-O-[(E)-dodec-2-enyl] 4-O-(3-ethylphenyl) butanedioate

Output: CCCCCCCCCC=CCOC(=O)CCC(=O)OC1=CC=CC(CC)=C1


Input: N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide

Output: O=C(COC1=NN2C=NN=C2C=C1)NC1C2CCOC2C1C1CCCC1


Input: N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(dimethylamino)benzamide

Output: CC(CC1=CC=C2OCCC2=C1)NC(=O)C1=CC=CC(N(C)C)=C1


Input: 1-[3-[3-(piperidine-1-carbonyl)pyridin-2-yl]oxypyrrolidin-1-yl]propan-1-one

Output: CCC(=O)N1CCC(OC2=NC=CC=C2C(=O)N2CCCCC2)C1


Input: 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde


Input: 6,7-dimethoxy-2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]isoquinolin-1-one

Output: COC1=CC2=C(C=C1OC)C(=O)N(C)C=C2C(=O)N1CCCC(C)C1


Input: (2R)-2-acetamido-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide

Output: CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1


Input: (4R)-4-hydroxy-1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one


Input: ethyl 3-[(2S)-2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxopropanoate

Output: CCOC(=O)C(=O)CC1=NC2=CC=CC=C2SC(C2=CC=CC(C)=C2)C1


Input: 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide

Output: CCCN1C2=CC=CC=C2C2=C1C(=O)N(CC(=O)NC(C)CCC1=CC=CC=C1)N=C2


Input: (2S)-1-acetyl-N-[(2,4-dimethoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Output: COC1=CC=C(CNC(=O)C2CC3=CC(S(=O)(=O)N4CCCC4)=CC=C3N2C(C)=O)C(OC)=C1


Input: 3-(1-methylindol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]propanamide

Output: CC(CN1C(=O)OC2=CC=CC=C21)NC(=O)CCC1=CN(C)C2=CC=CC=C12


Input: N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

Output: CCC(C1=CC=C(F)C=C1)N(C)C(=O)CC1CCN(C(=O)C(C)C)CC1


Input: N-[2-(butylcarbamoyl)phenyl]-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Output: CCCCNC(=O)C1=CC=CC=C1NC(=O)C1CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CC1


Input: (3R)-2-[(4-chlorophenyl)methyl]-3-methyl-N-[(1S,2R)-2-methylcyclohexyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

Output: CC1CCCCC1NC(=O)C1(C)CN2C(=NC3=CC=CC=C32)C(=O)N1CC1=CC=C(Cl)C=C1


Input: (2R)-N-(2,4-dimethylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

Output: CC1=CC=C(NC(=O)C(C)NS(=O)(=O)C2=CC=C3C(=C2)CCN3C(=O)N2CCCC2)C(C)=C1


Input: (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide

Output: COC1=CC=C(NC(=O)C(C)NS(=O)(=O)C2=CC=C(Br)C=C2)C=C1


Input: [5-[[[(2R)-butan-2-yl]-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate

Output: CCC(C)N(CC1=CC=C(OC)C(OS(=O)(=O)C2=CC=C(F)C=C2)=C1)C(=O)NC1=CC=C(C)C=C1C


Input: N-[(2R)-butan-2-yl]-2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide

Output: CCC(C)NC(=O)C1=NN(C2=CC=CC(C)=C2)C(=O)N(CC2=CC=CC=C2C)C1=O


Input: (Z)-3-[4-[(Z)-3-anilino-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide

Output: O=C(C=CC1=CC=C(C=CC(=O)NC2=CC=CC=C2)C=C1)NC1=CC=CC=C1


Input: (2Z)-2-[(3-chlorophenyl)methylidene]-6-[(2-fluorophenyl)methoxy]-4-methyl-1-benzofuran-3-one

Output: CC1=CC(OCC2=CC=CC=C2F)=CC2=C1C(=O)C(=CC1=CC=CC(Cl)=C1)O2


Input: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide

Output: CSCCC(NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCC(F)(F)F


Input: 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

Output: CC(NC(=O)NC1CCN(CC2=CC=CC=N2)CC1)C1=NN=CN1C


Input: (7R)-N-(3-bromophenyl)-4-hydroxy-7-methyl-2-oxo-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxamide

Output: CC1CCC2=C(C1)SC1=C2C(O)=C(C(=O)NC2=CC=CC(Br)=C2)C(=O)N1


Input: 2-naphthalen-2-yloxy-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide

Output: O=C(COC1=CC=C2C=CC=CC2=C1)NC1=CN(CCC2=CC=CC=C2)N=C1


Input: (6S)-2-cyclopentyl-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

Output: CC(C)C1=CN=CN=C1N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1


Input: 5-(imidazol-1-ylmethyl)-1-prop-2-enylpyrrole-2-carbonitrile


Input: (6R)-2-propan-2-yl-8-[(2-propylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

Output: CCCC1=NC=C(CN2CCCC3(CCC(=O)N(C(C)C)C3)C2)C=N1


Input: 2-[1-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]ethanamine


Input: 4-[[(2R)-1-[3-(3-fluorophenyl)propylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide

Output: CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)NCCCC1=CC=CC(F)=C1


Input: (5R)-N-methyl-5-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

Output: CN(CCC1=NC=CS1)C(=O)C1=NOC(C2=CC=CC=C2)C1


Input: 2-[methyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]pyridine-4-carbonitrile


Input: N-[(2S,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide

Output: CN1CCC(NC(=O)CC2=NOC=C2)C1C1=CC=C(F)C(F)=C1


Input: (6S)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

Output: O=C(O)C1CC2=C(CN1CC1=CC=C3OCCOC3=C1)NC=N2


Input: (2R)-N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine


Input: 1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2-ethoxy-4-fluorophenyl)urea

Output: CCOC1=CC(F)=CC=C1NC(=O)NCC(C1=CN(C)N=C1)N(C)C


Input: (2S)-N-cyclopropyl-2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide

Output: O=C(NC1CC1)C(C1=CC=CC=C1)N1CCC(C2=CNN=C2)CC1


Input: 2-[(4S)-1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Output: CCCOC1=CC=C(NC(=O)CC2C(=O)N(CCC3=CC=C(OCC)C(OCC)=C3)C(=S)N2CCC2=CC=C(OC)C(OC)=C2)C=C1


Input: (6R)-N-(4-bromophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

Output: COC1=CC=C(CCN2C(=O)CC(C(=O)NC3=CC=C(Br)C=C3)SC2=NC2=CC=CC=C2)C=C1


Input: 4-[[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide

Output: CC1CCCN(C(C)CNS(=O)(=O)C2=CC=C(C(N)=O)C=C2)C1


Input: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-nitro-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Output: CC(C)CCCC(C)C1CCC2C3CCC4CC([N+](=O)[O-])CCC4(C)C3CCC12C


Input: 2-chloro-5-[5-[(E)-[(5R)-6-ethoxycarbonyl-5-(4-methylsulfanylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid

Output: CCOC(=O)C1=C(C2=CC=CC=C2)N=C2SC(=CC3=CC=C(C4=CC=C(Cl)C(C(=O)O)=C4)O3)C(=O)N2C1C1=CC=C(SC)C=C1


Input: (2S)-2-[[(1R)-1-cyclopentylethyl]amino]-1-morpholin-4-ylbutan-1-one


Input: (2S)-2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine

Output: COC1=CC=CC=C1N1CCOC1C1=CN(C2=CC=CC=C2Cl)C=C1


Input: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

Output: CC1CCN(S(=O)(=O)C2=CC=CC(C(=O)NCC3=CC=C4OCOC4=C3)=C2)CC1


Input: (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide

Output: CCC(C(=O)NC1=CC=CC=C1OC)N(C1=CC=C(OC)C=C1)S(C)(=O)=O


Input: methyl 3-[(4R,5R)-5-(1-tert-butylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanoate

Output: COC(=O)CCN1C(=S)NC(C2=CC=CC=N2)C1C1=CN(C(C)(C)C)C=C1


Input: (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide


Input: N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

Output: CSC1=CC=C(S(=O)(=O)NCC2=CC=C(Cl)C=C2Cl)C=C1NC(=O)C(C)C


Input: (2S)-2-[[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

Output: CC(C)NC(=O)C(CC1=CC=CC=C1)N(CC1=CC=CC=C1F)C(=O)CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=C(Cl)C=C1


Input: N-(3-chloro-4-fluorophenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide

Output: COC1=CC=C(S(=O)(=O)N(C)C2=CC=C(F)C(Cl)=C2)C=C1F


Input: (2S)-2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide

Output: CCCNC(=O)C(CC)N(CC1=CC=CC(C)=C1)C(=O)CN(C1=CC=CC(C(C)=O)=C1)S(C)(=O)=O


Input: N-(2-cyano-4-propan-2-yloxyphenyl)-1-ethoxy-4-methylcyclohexane-1-carboxamide

Output: CCOC1(C(=O)NC2=CC=C(OC(C)C)C=C2C#N)CCC(C)CC1


Output: CCCCCCCCCCCCCCCCCC(O)CCCC1=CC(O)=CC(O)=C1


Input: (1S,2R,6S,7R)-5-(pentylamino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one


Input: N'-(4-bromophenyl)sulfonyl-N'-methylbutanediamide

Output: CN(C(=O)CCC(N)=O)S(=O)(=O)C1=CC=C(Br)C=C1


Output: CCC(C)COC1=CC(C=CC2=CC(OCC(C)CC)=C(C=CC3=CC(OCC(C)CC)=C(C#CC4=CC(C5=CC=CC=N5)=NC(C5=CC=CC=N5)=C4)C=C3OCC(C)CC)C=C2OCC(C)CC)=C(OCC(C)CC)C=C1C#CC1=CC(C2=CC=CC=N2)=NC(C2=CC=CC=N2)=C1


Input: 2-[2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,4-dimethyl-5-phenylthiophene

Output: CC1=C(C2=C(C3=C(C)C(C)=C(C4=CC=CC=C4)S3)C(F)(F)C(F)(F)C2(F)F)SC(C2=CC=CC=C2)=C1C


Input: (4S)-4-benzyl-3-[(Z)-2-methylpentan-3-ylideneamino]-1,3-oxazolidin-2-one


Input: 1-[(E)-4-bromo-1,1,1-trifluoro-3-phenylsulfanylbut-2-en-2-yl]-3-methylbenzene

Output: CC1=CC=CC(C(=C(CBr)SC2=CC=CC=C2)C(F)(F)F)=C1


Input: (2R,4aR,6S,7R,9aS)-6-[(Z)-2-bromoethenyl]-2-phenyl-4a,6,7,8,9,9a-hexahydro-4H-[1,3]dioxino[5,4-b]oxepin-7-ol


Input: tetrasodium;(2R,3R,4S)-4-hydroxy-2-[(3R,4R,5R,6R)-2-hydroxy-3-(1-oxidoethylideneamino)-6-(sulfonatooxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate

Output: CC([O-])=NC1C(O)OC(COS(=O)(=O)[O-])C(OS(=O)(=O)O)C1OC1OC(C(=O)[O-])=CC(O)C1OS(=O)(=O)[O-];[Na+];[Na+];[Na+];[Na+]


Input: (2R,3R,4S,5S,6R)-2-[[(2S,4aS,5R,6R,8aR)-6-hydroxy-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,1,4a,6-tetramethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Output: C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3O)CCC12C


Input: (1S)-2-[(4-nitrophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol

Output: COC1=CC(CC2C3=CC(O)=C(O)C=C3CCN2CC2=CC=C([N+](=O)[O-])C=C2)=CC(OC)=C1OC


Output: COC1=C(C2=C(C3=C(C4=CC=C(C5=CC=C(C6=CC=C(C7=S=C(C=O)C=C7)S6)S5)S4)SC(C4=CC=C(C5=CC=C(C6=CC=C(C7=CC=C(C=O)S7)S6)S5)S4)=C3C)C(F)(F)C(F)(F)C2(F)F)C(C)=C(C2=CC=CC=C2)S1


Input: tert-butyl N-(4-methyl-2-oxo-1H-quinolin-3-yl)carbamate

Output: CC1=C(NC(=O)OC(C)(C)C)C(=O)NC2=CC=CC=C12


Input: methyl (4R)-4-(4-chlorophenyl)-2-hydroxy-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrochromene-2-carboxylate

Output: COC(=O)C1(O)CC(C2=CC=C(Cl)C=C2)C2=C(CC(C)(C)CC2=O)O1


Input: (1R)-N-[tert-butyl-(3,4,5-trimethoxyphenyl)phosphoryl]-2-methyl-1-phenylpropan-1-amine

Output: COC1=CC(P(=O)(NC(C2=CC=CC=C2)C(C)C)C(C)(C)C)=CC(OC)=C1OC


Input: 4-[(1E,3Z)-3-methyl-4-naphthalen-2-ylsulfanylbuta-1,3-dienyl]morpholine


Input: ethyl (2S)-2-(4-chlorophenyl)-2-cyano-5-oxohexanoate

Output: CCOC(=O)C(C#N)(CCC(C)=O)C1=CC=C(Cl)C=C1


Input: ethyl (8S,11aR)-6,6-dioxo-8-phenyl-11,11a-dihydro-8H-pyrido[1,2-c][1,2,3]benzoxathiazine-9-carboxylate

Output: CCOC(=O)C1=CCC2C3=CC=CC=C3OS(=O)(=O)N2C1C1=CC=CC=C1


Input: [(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-tetradecoxypropyl] (Z)-octadec-9-enoate

Output: CCCCCCCCC=CCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC


Input: [2-[[2,3,4,5,6-pentakis[[3-(triaminomethyl)pyridin-2-yl]sulfanylmethyl]phenyl]methylsulfanyl]pyridin-3-yl]methanetriamine

Output: NC(N)(N)C1=CC=CN=C1SCC1=C(CSC2=NC=CC=C2C(N)(N)N)C(CSC2=NC=CC=C2C(N)(N)N)=C(CSC2=NC=CC=C2C(N)(N)N)C(CSC2=NC=CC=C2C(N)(N)N)=C1CSC1=NC=CC=C1C(N)(N)N


Input: (3R,3aS)-3-cyclohexyl-6-methyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan


Input: (2S,6S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutoxy]-6-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxane-2-carbonitrile

Output: CC(CO[Si](C(C)C)(C(C)C)C(C)C)C1CCCC(C#N)(OCC(CCCl)O[Si](C)(C)C(C)(C)C)O1


Input: 4-[[4-[2-[1-[2-[2-[4-[(4-cyanophenyl)diazenyl]-N-ethylanilino]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl-ethylamino]phenyl]diazenyl]benzonitrile

Output: CCN(CCOC1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1OCCN(CC)C1=CC=C(N=NC2=CC=C(C#N)C=C2)C=C1)C1=CC=C(N=NC2=CC=C(C#N)C=C2)C=C1


Input: methyl (3S)-3-methyl-2-oxohex-5-enoate

Output: C=CCC(C)C(=O)C(=O)OC


Input: 1-(4-phenylpiperazin-1-yl)hexa-2,4-dien-1-one


Input: N-[2,3-dihydrofuran-5-yl-(3-methyl-1-adamantyl)methyl]propan-1-amine


Input: 1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol


Input: 5-(azetidin-3-yl)-1-(2-methoxypropyl)imidazole


Input: 1-(2-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

Output: CC1(C)CN(CCC(=O)C2=CC=CC=C2Br)CC(C)(C)O1


Input: 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridazine-4-carbothioamide


Input: 3-[(2-fluoro-4-methoxyphenyl)methoxy]phenol


Input: 4-[2-fluoro-4-[(5-methylpyridin-3-yl)methoxy]phenyl]but-3-yn-1-ol


Input: N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-5-yl]methanamine


Input: 2-chloro-4-[3-(diethylamino)propyl-ethylamino]benzonitrile


Input: N'-ethyl-N'-[4-(ethylaminomethyl)-2,5-dimethylpyrazol-3-yl]-N,N-dimethylpropane-1,3-diamine


Input: 5-[(oxolan-3-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid

Output: O=C(O)C1=CC2=CC(CNCC3CCOC3)=CC=C2O1


Input: 4-propan-2-yloxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine


Input: 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine


Input: 2-(3-ethylimidazol-4-yl)-2-(2-hydroxyethoxy)acetic acid

Output: CCN1C=NC=C1C(OCCO)C(=O)O


Input: benzyl N-[3-(2,4,4-trimethylpentan-2-ylamino)cyclobutyl]carbamate

Output: CC(C)(C)CC(C)(C)NC1CC(NC(=O)OCC2=CC=CC=C2)C1


Input: 1-[3-amino-5-[ethyl(propyl)amino]thiophen-2-yl]ethanone


Input: [3-[2-(1-ethoxypropan-2-yloxy)ethylsulfonyl]phenyl]methanamine


Input: 4-(3-bromo-2,4-dimethoxyphenyl)piperidin-4-ol


Input: 8-fluoro-9-methyl-3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one


Input: N-(1,2-dimethylpiperidin-4-yl)furo[3,2-c]pyridin-4-amine


Input: 4-[(1-ethylimidazol-2-yl)methylamino]-3,3-dimethylbutan-1-ol


Input: N-(5-hydroxy-2,2-dimethylpentyl)-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide

Output: CC(C)(CCCO)CNS(=O)(=O)C1=CC=CC2=C1N=S=N2


Input: 5-bromo-2-(3,5-dimethylpyridin-2-yl)-N-ethyl-6-propylpyrimidin-4-amine


Input: 1-[3-(aminomethyl)pentanoyl]-2,3-dihydroindole-6-carboxylic acid

Output: CCC(CN)CC(=O)N1CCC2=CC=C(C(=O)O)C=C21


Input: 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cycloheptan-1-ol


Input: 2-[2-(2-methylimidazol-1-yl)ethoxy]cycloheptan-1-amine


Input: 1-cyano-N-(1-methylsulfinylpropan-2-yl)propane-1-sulfonamide

Output: CCC(C#N)S(=O)(=O)NC(C)CS(C)=O


Input: 4-(2,5-dibromoanilino)-2-nitrobenzoic acid

Output: O=C(O)C1=CC=C(NC2=CC(Br)=CC=C2Br)C=C1[N+](=O)[O-]


Input: 2-(1,3-benzothiazol-2-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine


Input: 2-[4-(aminomethyl)phenyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide


Input: 3-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]morpholine


Input: 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine


Input: (3-amino-5-methylpiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone

Output: COC1=CC(C(=O)N2CC(C)CC(N)C2)=CC=C1[N+](=O)[O-]


Input: ethyl 3-(5-bromopyridin-3-yl)-2-cyano-2-methylpropanoate

Output: CCOC(=O)C(C)(C#N)CC1=CN=CC(Br)=C1


Input: 2-amino-6-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid

Output: CN1CCN(CC2=CC=CC(N)=C2C(=O)O)CC1=O


Input: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluoro-2-methylphenyl)ethanamine


Input: (3-methylphenyl)-(2-phenyltriazol-4-yl)methanone

Output: CC1=CC=CC(C(=O)C2=NN(C3=CC=CC=C3)N=C2)=C1


Input: [1-(3-ethylthiophen-2-yl)-2-(3-fluorophenyl)ethyl]hydrazine


Input: [1-(2-bromo-5-methylphenyl)-4,4-dimethylpentyl]hydrazine


Input: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine


Input: 8-chloro-3-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

Output: CC1=NC=CC=C1C1=NN=C2C(Cl)=CC(C(=O)O)=CN12


Input: N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine


Input: 2-[5-bromo-2-[(3,5-difluorophenyl)methoxy]-3-methylphenyl]ethanamine

Output: CC1=CC(Br)=CC(CCN)=C1OCC1=CC(F)=CC(F)=C1


Input: 4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-amine


Input: N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine


Input: 6-chloro-2-N,2-N-dimethyl-4-N-(2,2,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine


Input: N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxan-4-amine


Input: N-[(1-ethylcyclobutyl)methyl]-5-(methylaminomethyl)pyridine-2-sulfonamide


Input: N-(cyclohex-3-en-1-ylmethyl)-2-ethylsulfanylcyclopentan-1-amine


Input: 6-ethoxy-2-N-(5-methoxypentyl)pyridine-2,5-diamine


Input: 2-(hydroxymethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)thiophene-3-sulfonamide


Input: 1-(3-aminopropyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide


Input: N-(3-methylpyridin-2-yl)-2-propylbutane-1,4-diamine


Input: 4-bromo-N-(1-chloro-3-methylpentan-3-yl)-3-(trifluoromethyl)benzamide

Output: CCC(C)(CCCl)NC(=O)C1=CC=C(Br)C(C(F)(F)F)=C1


Input: 3-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide


Input: 5,5-diethyl-N-(3-methylsulfinylbutyl)-4,6-dihydro-1,3-thiazin-2-amine


Input: 4-[[(1-ethylindazol-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one


Input: 2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-iodobenzamide


Input: N-(piperidin-3-ylmethyl)-N-propylquinazolin-2-amine


Input: 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide


Input: 4-(3-ethylcyclohexyl)-2-methylpiperidine


Input: 2-[[5-bromo-3-(trifluoromethyl)pyridin-2-yl]-methylamino]cyclohexan-1-ol


Input: 2-methoxy-N-[[5-(3-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine


Input: N-(1-ethoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine


Input: 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(2-fluoro-5-sulfanylphenyl)methanone


Input: 3-ethoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine


Input: 3-fluoro-4-(1-methylimidazol-2-yl)-2-propan-2-ylbutan-1-amine


Input: N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylpyrazole-4-sulfonamide


Input: 3-bromo-N-(5-bromopyrazin-2-yl)pyridine-2-carboxamide


Input: N-(2,6-dibromophenyl)-3-(methylamino)pyridine-2-sulfonamide

Output: CNC1=CC=CN=C1S(=O)(=O)NC1=C(Br)C=CC=C1Br


Input: 4-[[2-(aminomethyl)piperidin-1-yl]methyl]-2-fluorophenol


Input: 2-[4-[[2-(ethylamino)pyridin-4-yl]methoxy]phenyl]ethanol


Input: 1,3-dimethyl-5-(2-methylbutylsulfanyl)pyrazole-4-carbaldehyde


Input: methyl 2-[1-[(3-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetate

Output: COC(=O)CC1(CSCC2=CC=CC(C)=C2)CC1


Input: 4-bromo-3-[(3-oxo-1,4-diazepane-1-carbonyl)amino]benzoic acid

Output: O=C1CN(C(=O)NC2=CC(C(=O)O)=CC=C2Br)CCCN1


Input: (2S)-2-(3-cyclopentylpropanoylamino)-5-methoxy-5-oxopentanoic acid

Output: COC(=O)CCC(NC(=O)CCC1CCCC1)C(=O)O


Input: 2-(2-bromophenyl)-1-(2,6-dimethylphenyl)-N-ethylethanamine


Input: N-(3-aminopropyl)-2-(2-methoxyethoxy)-N-(4-methylphenyl)acetamide


Input: 1-[4-[2-(dimethylamino)propylamino]phenyl]propan-1-one


Input: 5-(2-bromo-5-methoxyphenyl)-2,3-diethylimidazol-4-amine


Input: 3-(naphthalen-1-ylamino)-1-(pyridin-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione

Output: O=C1C(NC2=CC=CC3=CC=CC=C23)=C(C2=CC=CS2)C(=O)N1CC1=CC=CC=N1


Input: N-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-5-carboxamide


Input: 2,3,4-trifluoro-N-[2-[(3,4,5-trihydroxybenzoyl)amino]ethyl]benzamide

Output: O=C(NCCNC(=O)C1=CC=C(F)C(F)=C1F)C1=CC(O)=C(O)C(O)=C1


Input: 2-(2,3-dimethylphenoxy)-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone

Output: CC1=CC=CC(OCC(=O)N2CCCN(C(=O)C3=CC=C(F)C=C3)CC2)=C1C


Input: (4E)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-(2-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione

Output: CC1=CC=CC=C1C1C(=C(O)C2=CC=CC(OCC(C)C)=C2)C(=O)C(=O)N1CC1=CC=NC=C1


Input: N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide

Output: CC(OC1=CC=CC=C1C(C)C)C(=O)NC1=CC=C(C(=O)N2CCN(C)CC2)C=C1


Input: 3-(2-chlorophenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

Output: O=C(CCOC1=CC=CC=C1Cl)NC1=NC(C2=CC=C3C=CC=CC3=C2)=CS1


Input: ethyl [4-[[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methylcarbamoyl]phenyl] carbonate

Output: CCOC(=O)OC1=CC=C(C(=O)NCC2=CC=CC=C2NC(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1


Input: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone

Output: O=C(CNC1=CC=CC=C1C(F)(F)F)N1CCN(C(=O)C2=CC=CO2)CC1


Input: 5-(4-bromo-3-methylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

Output: CC1=CC(NC2=CC=C(C(=O)NCC(C)C)N=C2)=CC=C1Br


Input: 5-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide

Output: CCC1=CC=C(NC2=CN=C(C(=O)NCCC3=CC=CC=C3F)C=N2)C=C1


Input: 1-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide

Output: CCNC(=NCC(C)(O)C1=CC=CS1)NCCCCN1C(=O)C2=CC=CC=C2C1=O;I


Input: 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-ethyl-2-[(2-imidazol-1-ylpyridin-4-yl)methyl]guanidine

Output: CCNC(=NCC1=CC=NC(N2C=CN=C2)=C1)NCC1=CC(C)=CC=C1OC(F)F


Input: N-[2-(3-chlorophenyl)ethyl]-N'-methyl-2-oxa-7-azaspiro[4.4]nonane-7-carboximidamide


Input: 2-[[2-(cyclopropylmethoxy)pyridin-4-yl]methyl]-3-ethyl-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide

Output: CCNC(=NCC1=CC=NC(OCC2CC2)=C1)N(C)CCC1CCOCC1;I


Input: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine;hydroiodide

Output: CN=C(NCCC1=CC=C2OCCC2=C1)NCCC1=NC(C)=C(C)S1;I


Input: N-(4-chloro-2,6-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide


Input: N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(2-phenylethylamino)methylidene]amino]acetamide

Output: CN(C)C(=O)CN=C(NCCC1=CC=CC=C1)NCC1CCCN1S(C)(=O)=O


Input: 4-[[3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole

Output: CC1=CC(C2=NC=C(C)N2)=NC(C2CCCN(CC3=CSC=N3)C2)=N1


Input: 3-[(4-chlorophenyl)methyl]-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one

Output: O=C1NNC(CC2=CC=C(Cl)C=C2)=NC1C1=CC=CC=C1


Input: (E)-3-(4-chlorophenyl)-N-[2-(4-fluorophenyl)propyl]prop-2-enamide

Output: CC(CNC(=O)C=CC1=CC=C(Cl)C=C1)C1=CC=C(F)C=C1


Input: N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]benzenesulfonamide

Output: O=S(=O)(NCC1=NN2C(C(F)(F)F)=NN=C2S1)C1=CC=CC=C1


Input: 1-tert-butyl-3-[1-(3-fluorophenyl)cyclopropyl]urea


Input: N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-4-carboxamide


Input: N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-3-carboxamide

Output: CCN1N=C(C(=O)NCC2=CC=C(OC)C(OC)=C2)C=C1C


Input: N-(2-pyridin-4-ylpropan-2-yl)cyclopentanecarboxamide


Input: 1-benzyl-1-(2-hydroxyethyl)-3-[1-(2-methylphenyl)ethyl]urea

Output: CC1=CC=CC=C1C(C)NC(=O)N(CCO)CC1=CC=CC=C1


Input: 1-ethyl-3-(3-methoxypropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine


Input: 1-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine

Output: CCOC1=CC=C(C2(CNC(=NC)NCCC3=CNC4=CC=CC=C34)CCOCC2)C=C1


Input: 1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine


Input: 1-butyl-3-ethyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide


Input: N-[3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide


Input: 2-methyl-N-[2-[[N-methyl-C-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide

Output: CN=C(NCCNC(=O)C(C)C)N1CCN(CC(=O)N2CCOCC2)CC1;I


Input: tert-butyl 3-[[[[2-(1,3-benzodioxol-5-yl)ethylamino]-(ethylamino)methylidene]amino]methyl]piperidine-1-carboxylate

Output: CCNC(=NCC1CCCN(C(=O)OC(C)(C)C)C1)NCCC1=CC=C2OCOC2=C1


Input: N-(4-hydroxy-2,2-dimethylpentyl)-3-(3-nitrophenyl)prop-2-enamide

Output: CC(O)CC(C)(C)CNC(=O)C=CC1=CC=CC([N+](=O)[O-])=C1


Input: 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]guanidine;hydroiodide

Output: CN=C(NCCCC1=NN=C(SC)N1CC(C)C)NCC(C)(C)OC;I


Input: 1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[4-(2-methyl-6-oxopyridin-1-yl)butyl]guanidine;hydroiodide

Output: CCNC(=NCCCCN1C(C)=CC=CC1=O)NCCN1C=NN=C1CC;I


Input: 2-[[[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

Output: COC1=CC=CC=C1C(CNC(=NCC(=O)N(C)C)NCC1CCCCO1)N1CCCC1


Input: 1-ethyl-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide

Output: CCNC(=NCC1=C(C)N(C)N=C1C)NCCCN1CCN(C2=CC=CC(C)=C2)CC1;I


Input: 2-[N-(3-hydroxypropyl)anilino]-N-(3-methylbutan-2-yl)acetamide


Input: 1-ethyl-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[[2-(4-methylcyclohexyl)oxypyridin-4-yl]methyl]guanidine;hydroiodide

Output: CCNC(=NCC1=CC=NC(OC2CCC(C)CC2)=C1)NC1CCC2=NC(CC)=NN2C1;I


Input: N'-(2-tert-butylsulfinylethyl)-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide


Input: 3-[2-[[N-(1-cyclohexylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide

Output: CN=C(NCCC1=CC=CC(C(=O)N(C)C)=C1)NC1CCN(C2CCCCC2)CC1;I


Input: 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[4-(4-phenylpiperazin-1-yl)butyl]guanidine

Output: CN=C(NCCCCN1CCN(C2=CC=CC=C2)CC1)NCCC1=NC=C(C)S1


Input: 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea


Input: [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol


Input: 1-[(4-tert-butylcyclohexyl)methyl]-N-methylpyrrolidin-3-amine


Input: N-[(4-chlorophenyl)methyl]-N-methyl-2-[methyl(phenyl)sulfamoyl]benzamide

Output: CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1=CC=CC=C1


Input: N-[(2,4-dimethoxyphenyl)methyl]-4-(3,5-dimethylpiperidin-1-yl)-N-methyl-3-nitrobenzamide

Output: COC1=CC=C(CN(C)C(=O)C2=CC=C(N3CC(C)CC(C)C3)C([N+](=O)[O-])=C2)C(OC)=C1


Input: 2-[1-(4-chlorophenyl)propylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

Output: CCC(NCC(=O)N(C)CC1=CC=CC=C1OC)C1=CC=C(Cl)C=C1


Input: 2,3,5-trichloro-6-hydroxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

Output: CC(NC(=O)C1=C(O)C(Cl)=CC(Cl)=C1Cl)C1=CC=C(S(C)(=O)=O)C=C1


Input: 2-benzhydryloxy-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]ethanone

Output: O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(OC2=CC=C(F)C=C2F)CC1


Input: methyl 2-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]benzoate

Output: COC(=O)C1=CC=CC=C1NC1=CC(NC2CCCCC2)=NC=N1


Input: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-3-piperidin-1-yl-1,2,4-triazine

Output: COC1=CC=C(N2CCN(C3=CN=NC(N4CCCCC4)=N3)CC2)C=C1


Input: 4-[[3-(1-phenylethylamino)-1,2,4-triazin-5-yl]amino]benzonitrile

Output: CC(NC1=NN=CC(NC2=CC=C(C#N)C=C2)=N1)C1=CC=CC=C1


Input: N-[6-(1,3-benzodioxol-5-ylamino)pyridin-3-yl]-2-(2-methoxyphenoxy)acetamide

Output: COC1=CC=CC=C1OCC(=O)NC1=CC=C(NC2=CC=C3OCOC3=C2)N=C1


Input: N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

Output: COC1=CC=CC=C1CN(CCNS(=O)(=O)C1=CC=C(Cl)C=C1)C(C)=O


Input: 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide

Output: CC(=O)N(CCN1CCOCC1)CC(=O)NC1=CC=C(C(F)(F)F)C=C1


Input: 6-bromo-2-(2,5-dichlorophenyl)imidazo[1,2-a]pyrimidine

Output: ClC1=CC=C(Cl)C(C2=CN3C=C(Br)C=NC3=N2)=C1


Input: 3-amino-N-but-3-en-2-yl-5-methylsulfonylbenzamide


Input: (1R)-2,2-dimethyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine


Input: 3,4,4-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol


Input: 3-[methyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

Output: CC1=CC=C(N(C)C(=O)C2CCC(C(=O)O)C2)C=C1


Input: 2-chloro-N-(2-cyclobutylethyl)-5-hydroxybenzamide


Input: 5-(2-methylpropyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine


Input: [2-[(3,3-difluorocyclopentyl)methoxy]-6-fluorophenyl]methanamine


Input: oxolan-3-yl 2-amino-3-cyclohexylpropanoate

Output: NC(CC1CCCCC1)C(=O)OC1CCOC1


Input: 1-[2-chloro-6-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine


Input: 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide

Output: CC1=CC=C(NC(=O)C2=CC=NC(CN)=C2)C([N+](=O)[O-])=C1


Input: 3-(4,4-dimethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine


Input: N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylbut-3-en-1-amine


Input: N-(3-bromo-4-fluorophenyl)-1-(3-chloro-5-fluorophenyl)ethane-1,2-diamine

Output: NCC(NC1=CC=C(F)C(Br)=C1)C1=CC(F)=CC(Cl)=C1


Input: 3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]benzamide


Input: N-[[4-(7-fluoro-1-benzofuran-2-yl)-3-methylphenyl]methyl]ethanamine

Output: CCNCC1=CC=C(C2=CC3=CC=CC(F)=C3O2)C(C)=C1


Input: 3-[2-[2-(difluoromethylsulfonyl)phenoxy]ethyl]pyrrolidine


Input: 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide


Input: N-[2-(4-bromophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide


Input: 3-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]oxetane-3-carboxylic acid

Output: COC1=CC=C(Br)C=C1CNCC1(C(=O)O)COC1


Input: 4-chloro-N-(2,2-difluoroethyl)quinoline-2-carboxamide


Input: 1-(3,4-diethylphenyl)-N-methylhexan-1-amine


Input: 5-(3-chloropyridin-2-yl)sulfanylpyridine-2-carboxylic acid

Output: O=C(O)C1=CC=C(SC2=NC=CC=C2Cl)C=N1


Input: N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine


Output: C#CCC(CC)NC1=CC=C([N+](=O)[O-])C2=CC=CN=C12


Input: N-(2-cyclobutylethyl)-3-methylpiperidine-1-carboxamide


Input: 3-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylpropanamide


Input: 3-[(6-cyanopyridin-3-yl)sulfonyl-methylamino]propanoic acid

Output: CN(CCC(=O)O)S(=O)(=O)C1=CC=C(C#N)N=C1


Input: 4-(2-chloro-3-fluorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine


Input: 3-(4-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one


Input: N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine


Input: N-(1-chloropentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide


Input: N-(3-aminopentyl)-2,5-difluorobenzenesulfonamide


Input: 2-(3,4-dimethylpiperidin-1-yl)pyridine-4-carboximidamide


Input: N-[2-(3,4-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine


Input: 1-[1-bromo-2-(2-methylphenyl)ethyl]-3-chloro-2,4-dimethoxybenzene


Input: 4-methoxy-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine


Input: ethyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazole-2-carboxylate

Output: CCOC(=O)C1=NC(C(=O)N2CCC3=C(C=CS3)C2)=CS1


Input: 4-(1-methylpyrazol-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-amine


Input: 2,2-dimethyl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanenitrile


Input: 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(2,3,4-trimethylphenyl)methanamine


Input: 4-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxyphenol


Input: [3-(1-isocyanatocyclobutyl)-2-methoxyphenyl]methanol


Input: 4-(4-methyl-3,5-dioxopiperazin-1-yl)benzoic acid

Output: CN1C(=O)CN(C2=CC=C(C(=O)O)C=C2)CC1=O


Input: [1-(4-methoxy-2-methyl-1H-indol-5-yl)cyclopentyl]methanamine


Input: 1-methyl-5-(3-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid

Output: CC(C)OC1=CC=CC(C2=CC(C(=O)O)=NN2C)=C1


Input: 1-[[4-(1-isocyanatocyclopentyl)phenyl]methyl]pyrrolidine


Input: 2-methyl-2-[3-(4-methylphenyl)oxetan-3-yl]propanenitrile


Output: CC(C)C(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NC(CCCNC(N)=O)C(=O)NC1=CC=C(COC(=O)NCCSCC(=O)N(CC2CNCC2F)C(C2=NC(C3=CC(F)=CC=C3F)=CN2CC2=CC=CC(F)=C2)C(C)(C)C)C=C1


Input: 2-[2-[[3-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5-(2-pyrrolidin-2-ylethyl)phenyl]methoxy]phenyl]acetic acid

Output: CC(N)C1=CC=CC(C2=CC(CCC3CCCN3)=CC(COC3=CC=CC=C3CC(=O)O)=C2)=C1F


Input: [(3aR,6aR)-3-hydroxy-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan-6-yl] acetate

Output: CC(=O)OC1COC2(C)C(O)COC12C


Input: 3-(3,4-dihydro-2H-chromen-7-yl)-7-piperazin-1-ylchromen-2-one

Output: O=C1OC2=CC(N3CCNCC3)=CC=C2C=C1C1=CC=C2CCCOC2=C1


Input: 1-[3-[3-cyclopropyl-5-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone

Output: COC1=CC2=C(C=C1C1=C(C)ON=C1C)NC1=NC(C)=NC(NC3=CC(C4CC4)=NN3C3CN(C(C)=O)C3)=C12


Input: N-[1-[1-(benzenesulfonyl)indol-3-yl]ethenyl]-N'-[(2R,4S)-4-(chloroamino)pentan-2-yl]ethanimidamide

Output: C=C(NC(C)=NC(C)CC(C)NCl)C1=CN(S(=O)(=O)C2=CC=CC=C2)C2=CC=CC=C12


Input: 5-tert-butyl-4-methylsulfonyl-1H-pyrazole


Output: C=CC=C(C(=O)NCCN(CCNC(=O)C1=CCCC(C(=O)NCCS)C1OC)CCN(CCNC(=O)C1=CCCC(C(=O)NCCS)C1OC)CCNC(=O)C1=CCCC(C(=O)NCCS)C1OC)C(OC)C(C)C(=O)NCCS


Input: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Output: CC1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O


Input: tert-butyl 4-[4-[3-(5-carbamoylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]piperazine-1-carboxylate

Output: CC(C)(C)OC(=O)N1CCN(C2=CC=C(C3=CN4N=CC(C5=CC=CC6=C(C(N)=O)C=CC=C56)=C4N=C3)C=C2)CC1


Input: 2-[6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-2-yl]acetic acid

Output: COC1=C(OC(F)(F)F)C=C(CC(=O)O)N=C1CN


Input: [3-fluoro-2-(1-hydroxy-3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]indol-2-yl)-6-[1-methyl-5-[[5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]methyl acetate

Output: CC(=O)OCC1=C(C2=CN(C)C(=O)C(NC3=CC=C(N4CCN(C5COC5)CC4)C=N3)=C2)C=CC(F)=C1N1CCN2C(=CC3=C2CCCC3)C1O


Output: C=CCOC(C)(C)CCCC(C)CC


Input: 4-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]-2,2-dimethyl-4-oxobutanoic acid

Output: CC(C)(CC(=O)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)C(=O)O


Input: 1-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide

Output: CN=C(NC(C)C1=CC(C)=CC=C1OC)NC1C2CCCOC2C1(C)C;I


Input: 2-[2-methoxyethyl-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]acetic acid

Output: COCCN(CC(=O)O)C(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C)C=C1


Input: 2-[4-(5-fluoro-1H-indole-2-carbonyl)thiomorpholin-3-yl]acetic acid

Output: O=C(O)CC1CSCCN1C(=O)C1=CC2=CC(F)=CC=C2N1


Input: [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone


Input: 1-(4-fluorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide

Output: CC1=C(C(=O)NCC2CCCN2)C=NN1C1=CC=C(F)C=C1


Input: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

Output: CCCN(C(=O)CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C1CCNC1;Cl;Cl


Input: 4-(2,5-dimethylthiophen-3-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one


Input: N-[1-(aminomethyl)cyclopentyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride

Output: Cl;NCC1(NC(=O)C2=NN(C3=CC=CC([N+](=O)[O-])=C3)C=C2)CCCC1


Input: N-(1-aminopropan-2-yl)-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

Output: CC(CN)N(C)C(=O)C1=CN=C2C(=C1)C(=O)N(C)C(=O)N2C


Input: 3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpropanamide


Input: 2-(4-aminophenyl)-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]acetamide;hydrochloride

Output: Cl;NC1=CC=C(CC(=O)NC2=CC=C(CC(=O)N3CCSCC3)C=C2)C=C1


Input: 3-methyl-N-(4-phenylcyclohexyl)piperidine-3-carboxamide;hydrochloride

Output: CC1(C(=O)NC2CCC(C3=CC=CC=C3)CC2)CCCNC1;Cl


Input: N-[[1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

Output: CC1=CC=CC=C1CNC(=O)CN1CCCC(CNC(=O)C2CCCN2)C1;Cl


Input: N-ethyl-N'-(oxolan-3-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

Output: CCNC(=NCC1CCOC1)N1CCN(C(C)C(F)(F)F)CC1;I


Input: N-[2-(2-methoxyethylamino)ethyl]-5-sulfamoylthiophene-3-carboxamide


Input: 3-[[2-[ethylsulfonyl(methyl)amino]acetyl]-methylamino]-2-methylpropanoic acid

Output: CCS(=O)(=O)N(C)CC(=O)N(C)CC(C)C(=O)O


Input: (3S)-3-(4-chlorophenyl)-3-(4-methoxybutanoylamino)propanoic acid

Output: COCCCC(=O)NC(CC(=O)O)C1=CC=C(Cl)C=C1


Input: 4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2,2-dimethyl-4-oxobutanoic acid

Output: CC(C)(CC(=O)NC1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O)C(=O)O


Input: N-[2-(4-benzylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide


Input: 2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]hexanoic acid

Output: CCCCC(NC(=O)C(C)NC(=O)C1=CC=C(Br)S1)C(=O)O


Input: 1-[3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]propanoyl]piperidine-2-carboxylic acid

Output: O=C(O)C1CCCCN1C(=O)CCNC1=NC=C(C(F)(F)F)C=C1Cl


Input: 2-[4-[[methyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]methyl]phenoxy]acetic acid

Output: CC1=NOC(CCCC(=O)N(C)CC2=CC=C(OCC(=O)O)C=C2)=N1


Input: (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride

Output: CC1=CSC(N2CCC(C(=O)N3CCC(N)C(C)(C)C3)CC2)=N1;Cl;Cl


Input: [4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride

Output: CC1OCCNC1C(=O)N1CCN(CCN(C)CC2=CC=CC=C2)CC1;Cl;Cl


Input: 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide


Input: ethyl (2E)-2-[1-(2-methylsulfinylacetyl)pyrrolidin-2-ylidene]acetate

Output: CCOC(=O)C=C1CCCN1C(=O)CS(C)=O


Input: N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-5-oxopyrrolidine-2-carboxamide

Output: O=C1CCC(C(=O)NC2=CC=CC=C2C2=CN3C=CC=CC3=N2)N1


Input: 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)azetidin-3-ol


Input: N-methyl-N-[2-[(5-methyltetrazol-1-yl)methyl]cyclopropyl]methanesulfonamide


Input: 2-N,7-N-bis(4-naphthalen-1-ylphenyl)-2-N,7-N-diphenylphenanthrene-2,7-diamine

Output: C1=CC=C(N(C2=CC=C(C3=CC=CC4=CC=CC=C34)C=C2)C2=CC=C3C(=C2)C=CC2=CC(N(C4=CC=CC=C4)C4=CC=C(C5=CC=CC6=CC=CC=C56)C=C4)=CC=C23)C=C1


Input: [(Z,7R)-19-[3-(dimethylamino)propoxycarbonyloxy]-20-octadecoxyicos-9-en-7-yl] acetate

Output: CCCCCCCCCCCCCCCCCCOCC(CCCCCCCCC=CCC(CCCCCC)OC(C)=O)OC(=O)OCCCN(C)C


Input: tert-butylazanium;methanesulfonate

Output: CC(C)(C)[NH3+];CS(=O)(=O)[O-]


Input: tert-butyl (2S)-2-[[(R)-tert-butylsulfinyl]iminomethyl]morpholine-4-carboxylate

Output: CC(C)(C)OC(=O)N1CCOC(C=NS(=O)C(C)(C)C)C1


Input: 3-[(1-methylpyrazol-4-yl)sulfonylamino]-2-propan-2-yloxybenzoic acid

Output: CC(C)OC1=C(NS(=O)(=O)C2=CN(C)N=C2)C=CC=C1C(=O)O


Input: 1-[1-(2-methoxyphenyl)piperidin-4-yl]-3-(3-methylpyridin-4-yl)urea

Output: COC1=CC=CC=C1N1CCC(NC(=O)NC2=CC=NC=C2C)CC1


Input: N-(2,4-dimethylpiperidin-3-yl)-2-fluoro-3-(trifluoromethyl)benzamide

Output: CC1CCNC(C)C1NC(=O)C1=CC=CC(C(F)(F)F)=C1F


Input: 1-[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]-2-(4-propan-2-ylphenyl)sulfanylethanone


Input: (1R,2S)-2-[(3-methylfuran-2-carbonyl)amino]cycloheptane-1-carboxylic acid

Output: CC1=C(C(=O)NC2CCCCCC2C(=O)O)OC=C1


Input: 7-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

Output: COCCN(CCC#N)S(=O)(=O)N1C2CCC1C(C(=O)O)C2


Input: 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(4-methylphenyl)acetamide

Output: CC1=CC=C(NC(=O)CC2=CC=C(N3C(=O)NC4=C(SC=C4)C3=O)C=C2)C=C1


Input: (1R,6R,7S,8Z)-8-ethylidene-1,3,4,7-tetramethylbicyclo[4.2.1]non-3-en-9-one


Input: N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]cyclopentanecarboxamide


Input: 2-(5-bromo-2-methoxyphenyl)-3-(2,5-diethoxyphenyl)sulfonyl-1,3-thiazolidine

Output: CCOC1=CC=C(OCC)C(S(=O)(=O)N2CCSC2C2=CC(Br)=CC=C2OC)=C1


Input: [(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-oxo-4-phenylbutanoate

Output: O=C(CCC(=O)C1=CC=CC=C1)OC1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1


Input: 9-(4-carbazol-9-yl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-yl-1,3,5-triazin-2-yl)carbazole

Output: C1=CC=C2C(=C1)C1=CC=CC=C1C21C2=CC=C(C3=NC(N4C5=CC=CC=C5C5=CC=CC=C54)=NC(N4C5=CC=CC=C5C5=CC=CC=C54)=N3)C=C2C2=CC3=C4C=CC=CC4=C4C=CC=CC4=C3C=C21


Input: 5-[3-[(2,4,6-trifluorophenoxy)methyl]phenyl]-2H-triazole-4-carbonitrile

Output: N#CC1=NNN=C1C1=CC=CC(COC2=C(F)C=C(F)C=C2F)=C1


Input: 2-(methylamino)-1-[4-[2-[1-methyl-3-[(5-methylpyridin-2-yl)amino]cyclobutyl]oxy-5-(oxolan-3-yl)-2H-pyrazin-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

Output: CNCC(=O)N1CC=C(N2C=C(C3CCOC3)N=CC2OC2(C)CC(NC3=CC=C(C)C=N3)C2)CC1


Input: N'-[[2-(1,1-difluorobutyl)-4-[[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methylpyridin-3-yl]methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

Output: CCCC(F)(F)C1=CC(NCC2=CN=C(C)C(C#CC3=CN=C4C=CC=NN34)=C2)=CC=C1CN(C)CCN(C)C


Input: 3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid

Output: CC1=NN(CC2=CC(C(F)(F)F)=CC=C2C=CC(=O)O)N=N1


Input: [4-[4-[4-(4-methylphenyl)phenyl]phenyl]cyclohexyl]methylsilane

Output: CC1=CC=C(C2=CC=C(C3=CC=C(C4CCC(C[SiH3])CC4)C=C3)C=C2)C=C1


Input: 9-[3-[2-(diethylamino)ethylamino]prop-1-enyl]-8-nitroso-5H-thieno[2,3-c]quinolin-4-one

Output: CCN(CC)CCNCC=CC1=C(N=O)C=CC2=C1C1=C(SC=C1)C(=O)N2


Input: 1-[3-(3-chloro-4-fluoroanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-en-1-one

Output: O=C(C=CCN1CCN(C2=NC=CC=N2)CC1)N1CCC2=C(C1)SC1=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C21


Input: 4-(5-methyl-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,7,9,11-tetraen-3-yl)cyclohexan-1-one


Input: N,N-bis(2-methylphenyl)-5,12-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(28),2(15),3,5,7,9,11,16,18,20(25),21,23,26-tridecaen-22-amine

Output: CC1=CC=CC=C1N(C1=CC=C2C3=CC=C4C5=C(CC6C(=C5)C(C5=CC=CC=C5)=C5C=CC=CC5=C6C5=CC=CC=C5)C5=CC=C(C2=C1)C3C45)C1=CC=CC=C1C


Input: methyl 3-[6-ethyl-4-[4-methyl-3-[[6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-6H-1,3-oxazin-2-yl]azetidine-1-carboxylate

Output: CCC1C=C(C2=CC=C(C)C(NC(=O)C3=CN=C4C=CC(COCC(F)(F)F)=CN34)=C2)N=C(C2CN(C(=O)OC)C2)O1


Input: N-[1-[4-hydroxy-3-(1-pyrrolidin-3-yloxyethyl)phenyl]ethyl]acetamide


Input: N-[2-(2-cyclopropyl-5-methylimidazol-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

Output: CC1=CC(C)=C(S(=O)(=O)NCCN2C(C)=CN=C2C2CC2)C(C)=C1


Input: N-(4-chlorophenyl)-4-methyl-2-[(2R)-1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide

Output: CC1=NC(C2CCCCN2C(=O)CC(C)C)=NC=C1C(=O)NC1=CC=C(Cl)C=C1


Input: (3R)-3-amino-6-chloro-2,3-dihydrochromen-4-one


Input: (4S)-N-[(2R)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

Output: COC1=CC(OC)=CC(C(O)CNC(=O)C2CCCC3=C2C=NN3)=C1


Input: (1S,2R,6S,7S,8R,10S)-4-(4-methylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione

Output: CC1=CC=C(N2C(=O)C3C4C=CC(C5CC45)C3C2=O)C=C1


Input: (2S)-2-(3-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azepane


Input: N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide

Output: CN(CC1(O)CCCN(C2=CC=CC=N2)C1)C(=O)CCN1C=CN=C1


Input: [(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone

Output: O=C(C1=CC=NC=C1)N1CCOC(C2=NC=C(CC3=CC=CC=C3Cl)O2)C1


Input: (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid

Output: CCCCC(C(=O)O)N1C2=CC(C)=CC=C2C(C)CC1(C)C


Input: (2R)-2-[[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

Output: CC1=CC=C(CN(C(=O)CN(C2=CC(C(F)(F)F)=CC=C2Cl)S(C)(=O)=O)C(CC2=CC=CC=C2)C(=O)NC(C)C)C=C1


Input: (2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide

Output: CCC(C)NC(=O)C(CC1=CC=CC=C1)N(CC1=CC=CC(C)=C1)C(=O)CN(C1=CC([N+](=O)[O-])=CC=C1C)S(C)(=O)=O


Input: 2-[1-[[(2R)-2-(4-chloropyrazol-1-yl)propanoyl]amino]cyclohexyl]acetic acid

Output: CC(C(=O)NC1(CC(=O)O)CCCCC1)N1C=C(Cl)C=N1


Input: 3-(dimethylamino)propyl [(4R)-1-hydroxyhexadecan-4-yl] carbonate

Output: CCCCCCCCCCCCC(CCCO)OC(=O)OCCCN(C)C


Input: (2S)-2-[(1S,2S,3R,4R,5R)-2,3,4,5,6-pentahydroxy-1-morpholin-4-ylhexyl]-1-azabicyclo[2.2.2]octan-3-one

Output: O=C1C2CCN(CC2)C1C(C(O)C(O)C(O)C(O)CO)N1CCOCC1


Input: 6-[[(2S)-2-[(3-bromophenyl)methyl]-3-hydroxypropyl]amino]pyrimidine-4-carbonitrile


Input: tert-butyl (1S,4R)-5-(6-fluoropyridine-3-carbonyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

Output: CC(C)(C)OC(=O)N1CC2CCC1CN2C(=O)C1=CC=C(F)N=C1


Input: (5Z)-5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

Output: COC1=CC(C=C2SC(=NC3=CC=C(Cl)C=C3)N(C3=CC=C(Cl)C=C3)C2=O)=CC(Br)=C1OCC1=CC=C([N+](=O)[O-])C=C1


Input: N-[(3aR,7aS)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-3,4-dichloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide

Output: COC1=CC=C(C(=O)CN(C(=O)C2=CC=C(Cl)C(Cl)=C2)N2C(=O)C3CC=C(C)CC3C2=O)C=C1


Input: (3S)-1-(2,3-dichlorophenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

Output: CC1=CC=CC(OC2=CC=C(NC(=O)C3CC(=O)N(C4=CC=CC(Cl)=C4Cl)C3)C=C2)=C1


Input: [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3-[(1R,2R,6S,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanoate

Output: O=C(COC(=O)CCN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)NNC(=O)C1=CC=C(Br)C=C1


Input: (3R)-N-[2-(4-methoxyphenyl)ethyl]-1-(2-methoxy-5-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide

Output: COC1=CC=C(CCNC(=O)C2CCCN(S(=O)(=O)C3=CC(C(C)C)=CC=C3OC)C2)C=C1


Input: ethyl (2Z,5S)-2-[[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Output: CCOC(=O)C1=C(C2=CC=CC=C2)N=C2SC(=CC3=CC=C(OCC4=CC=CC=C4C#N)C(Br)=C3)C(=O)N2C1C1=CC=C(SC)C=C1


Input: (E)-N-(2-chlorophenyl)-2-cyano-3-[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide

Output: N#CC(=CC1=CC(Cl)=C(OCC2=CC=C(F)C=C2)C(Cl)=C1)C(=O)NC1=CC=CC=C1Cl


Input: 5-[5-[(E)-[(4-chlorophenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]-2-methylbenzoic acid

Output: CC1=CC=C(C2=CC=C(C=NNC(=O)NC3=CC=C(Cl)C=C3)O2)C=C1C(=O)O


Input: (2Z,5S)-2-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Output: CCN(CC)C(=O)C1=C(C)N=C2SC(=CC3=CC([N+](=O)[O-])=CC=C3SC3=CC=C(Cl)C=C3)C(=O)N2C1C1=CC=CC=C1OC


Input: 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide

Output: CCOC1=CC=C(N(C(C)C(=O)NC2=CC=CC=C2C(=O)NC(C)C2=CC=CC=C2)S(C)(=O)=O)C=C1


Input: N-(2,4-difluorophenyl)-1-(2-methoxy-4-piperidin-1-ylphenyl)methanimine

Output: COC1=CC(N2CCCCC2)=CC=C1C=NC1=CC=C(F)C=C1F


Input: (5E)-5-[[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione

Output: CCCN1C(=O)NC(=CC2=CC=C(OCC3=CC=CC([N+](=O)[O-])=C3)C(Br)=C2)C1=O


Input: N-(4-fluorophenyl)-2-[3-[(E)-[3-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide

Output: COC1=CC=C(NC(=O)CN2C(=O)SC(=CC3=CN(CC(=O)NC4=CC=C(F)C=C4)C4=CC=CC=C34)C2=O)C=C1


Input: N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzamide

Output: O=C(COC1=CC=C(C=NNC(=O)C2=CC=C(C3=CSC(NC4=CC=C(Cl)C=C4)=N3)C=C2)C=C1Cl)NC1=CC=CC=C1


Input: N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide

Output: CCOC1=CC=C(NC(=O)COC2=CC=CC(C=NNC(=O)C(=O)NCC3=CC=C(C(C)C)C=C3)=C2)C=C1


Input: 6-bromo-2-butyl-3-[(4-methoxyphenyl)methylideneamino]quinazolin-4-one

Output: CCCCC1=NC2=CC=C(Br)C=C2C(=O)N1N=CC1=CC=C(OC)C=C1


Input: 3,4-dichloro-N-[[5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Output: C=CCN1C(CNC(=O)C2=CC=C(Cl)C(Cl)=C2)=NN=C1SCC(=O)NC1=NC(C2=CC=C(Cl)C=C2)=CS1


Input: 2-[4-[(Z)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetic acid

Output: COC1=CC(C=NNC(=O)C2=CC=C(NC(C)=O)C=C2)=CC(I)=C1OCC(=O)O


Input: methyl 5-[[(5E)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]furan-2-carboxylate

Output: COC(=O)C1=CC=C(CN2C(=O)SC(=CC3=CC=C(OCC4=CC=C(Cl)C=C4Cl)C(Br)=C3)C2=O)O1


Input: N-[(4-cyclopropyl-2-methyl-5-prop-1-en-2-ylphenyl)methyl]but-1-en-2-amine


Input: 1-methyl-3-(2-methylpropyl)-2H-pyridin-2-ol


Input: 3,3,3-trifluoro-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one


Input: 4-[2-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,4-oxazepan-3-one

Output: O=C1COCCCN1CCN1CCC(C2=NN=C3C=CC(C4CC4)=NN23)CC1


Input: (4S,4aS,7aS)-6-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrole-4-carboxamide;2,2,2-trifluoroacetic acid

Output: CC(C)CNC(=O)C1CCS(=O)(=O)C2CN(CC3=CC=C(Cl)C=C3)CC12;O=C(O)C(F)(F)F


Input: N-[(2R)-6-amino-1-[[(2R)-1-[[(1S)-2-amino-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]benzamide

Output: NCCCCC(NC(=O)C1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(N)=O)C1=CC=C(OCC2=CC=CC=C2)C=C1


Input: 3,6-bis[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]xanthen-9-one

Output: CN1CCN(C(=O)COC2=CC=C3C(=O)C4=CC=C(OCC(=O)N5CCN(C)CC5)C=C4OC3=C2)CC1


Input: 2-amino-1-[3-(1,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-ylmethyl)piperidin-1-yl]ethanone


Input: 1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone


Input: 2-[[1-(4-chloro-2-fluorobenzoyl)azepan-4-yl]-methylamino]acetic acid

Output: CN(CC(=O)O)C1CCCN(C(=O)C2=CC=C(Cl)C=C2F)CC1


Input: 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium;chloride


Input: 3-[19-(7-oxabicyclo[4.1.0]heptan-3-yl)-9-[9-(6-oxabicyclo[3.1.1]heptan-3-yl)nonyl]nonadecyl]-7-oxabicyclo[4.1.0]heptane

Output: C(CCCCCC1CCC2OC2C1)CCCCC(CCCCCCCCCC1CC2CC(C1)O2)CCCCCCCCC1CCC2OC2C1


Input: (2R,3R)-N,N'-bis[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide

Output: CN1CC2=C(Cl)C=C(Cl)C=C2C(C2=CC=CC(C3=CN(CCOCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCOCCN4C=C(C5=CC=CC(C6CN(C)CC7=C(Cl)C=C(Cl)C=C76)=C5)N=N4)N=N3)=C2)C1


Input: 3-[(Z)-5-methylidenehept-3-en-4-yl]-2-(2-methylpropyl)piperidine


Input: 2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

Output: CNC(=O)C1=CC=C(N2CCC(CC3CCN(C(=O)C(O)(C4=CC=CC(C)=C4)C(F)(F)F)CC3)CC2)N=C1Cl


Input: [3-[2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-9-methoxy-1,5-dihydro-2,4-benzodioxepin-6-yl] methanesulfonate

Output: COC1=CC=C(OS(C)(=O)=O)C2=C1COC(C1=CSC(C3CCN(C(=O)CN4N=C(C(F)(F)F)C=C4Cl)CC3)=N1)OC2


Input: methyl (2S)-2-[3-[[(S)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate

Output: COC(=O)C(C)C1(NS(=O)C(C)(C)C)COC1


Output: CCCSCC=C(C=O)SCCC


Input: 4-[4-[[(E)-3-(3-bromofuran-2-yl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

Output: CNC(=O)C1=CC(OC2=CC=C(NC(=O)C=CC3=C(Br)C=CO3)C=C2)=CC=N1


Input: methyl N-(5-ethyl-2-methylpyrazol-3-yl)carbamate

Output: CCC1=NN(C)C(NC(=O)OC)=C1


Input: (1S)-4-(hydroxymethyl)-2,3-dihydro-1H-isoindole-1-carboxylic acid

Output: O=C(O)C1NCC2=C(CO)C=CC=C21


Input: 2-(prop-2-enoylamino)-1,3-thiazole-4-carboxylic acid

Output: C=CC(=O)NC1=NC(C(=O)O)=CS1


Input: 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butanoic acid

Output: CCC(C(=O)O)N1CC(C)NC(C)C1


Input: N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide


Input: 5-(2-bromopropanoyl)-2-methylbenzoic acid

Output: CC1=CC=C(C(=O)C(C)Br)C=C1C(=O)O


Input: 3-(1-methyl-1,2,4-triazole-3-carbonyl)-N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

Output: CC(C)NC(=O)C1CC2CN(C(=O)C3=NN(C)C=N3)CC1O2


Input: 4-cyano-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-1-methylpyrrole-2-carboxamide

Output: CC1=CC(NC(=O)C2=CC(C#N)=CN2C)=CC=C1NC(=O)C(C)(C)C


Input: N,N-bis[(3-tert-butyl-1,2-dihydrotriazol-5-yl)methyl]-1-[3-(3-fluoropropoxymethyl)-1,2-dihydrotriazol-5-yl]methanamine

Output: CC(C)(C)N1C=C(CN(CC2=CN(COCCCF)NN2)CC2=CN(C(C)(C)C)NN2)NN1


Output: CCC1CC(C(=O)NCCNCC2=CC=C(CN3CCCNCCNCCCNCC3)C=C2Br)CC(OC2OC(CO)C(O)C(OC(CC3CCCCC3)C(=O)O)C2NC(C)=O)C1CC1OC(C)C(O)C(O)C1O


Input: N-[(1R)-3-methoxy-1-phenylpropyl]-6,6-dimethyl-3-[[1-(trimethyl-lambda4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

Output: COCCC(NC(=O)N1CC2=C(NN=C2NC(=O)C2(S(C)(C)C)CCC2)C1(C)C)C1=CC=CC=C1


Output: CCCCN(CCSSC1=CC=CC=N1)C(=O)OC(C(=O)OC1CC2(O)C(OC(=O)C3=CC=CC=C3)C3C4(O)COC4CC(OC)C3(C)C(=O)C(OC)C(=C1C)C2(C)C)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1


Input: (3E)-2-N-(cyclopropylmethyl)-3-[[4-[1-(2-ethylanilino)ethenyl]-2-methylphenyl]methylidene]-2-N-propylhexa-1,5-diene-2,5-diamine

Output: C=C(N)CC(=CC1=CC=C(C(=C)NC2=CC=CC=C2CC)C=C1C)C(=C)N(CCC)CC1CC1


Output: COC1=CC(C(CC(=O)NCC(=O)NC2=NC(C)=CS2)C2=C(O)C3(OC4=C(Cl)C(OC)=CC(OC)=C4C3=O)C(C)CC2=O)=CC=C1O


Input: N-[(2R,3S)-3-(1,3-benzodioxol-5-yl)-1-hexyl-2-(4-methylsulfanylphenyl)-4-oxoazetidin-3-yl]-N-benzyl-3-methoxybenzamide

Output: CCCCCCN1C(=O)C(C2=CC=C3OCOC3=C2)(N(CC2=CC=CC=C2)C(=O)C2=CC=CC(OC)=C2)C1C1=CC=C(SC)C=C1


Input: (2E,4E)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-phenylhepta-2,4-dienal

Output: CC(C=O)=CC=CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1=CC=CC=C1


Input: tris(diphenylphosphanylmethyl)azanium

Output: C1=CC=C(P(C[NH+](CP(C2=CC=CC=C2)C2=CC=CC=C2)CP(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2)C=C1


Input: 3-oxo-3-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propanenitrile

Output: N#CCC(=O)C1=CC=C(C2=CC=C(C3=S=CC=C3)S2)S1


Input: N-[1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide


Input: 1-(benzenesulfonyl)-N-[1-(4-methoxyphenyl)ethyl]-2,3-dihydroindole-5-carboxamide

Output: COC1=CC=C(C(C)NC(=O)C2=CC=C3C(=C2)CCN3S(=O)(=O)C2=CC=CC=C2)C=C1


Input: 2-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]-(2-phenylethyl)amino]-N-methylpropanamide

Output: CCS(=O)(=O)N(CC(=O)N(CCC1=CC=CC=C1)C(C)C(=O)NC)C1=CC=C2OCCOC2=C1


Input: N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(3-chlorophenyl)methyl]-4-(2-fluoro-N-methylsulfonylanilino)butanamide

Output: CC(C(=O)NC(C)(C)C)N(CC1=CC=CC(Cl)=C1)C(=O)CCCN(C1=CC=CC=C1F)S(C)(=O)=O


Input: 2-[benzyl-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-butyl-3-phenylpropanamide

Output: CCCCNC(=O)C(CC1=CC=CC=C1)N(CC1=CC=CC=C1)C(=O)CSCC1=C(F)C=CC=C1Cl


Input: 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide

Output: CC1=CC=CC=C1C(C)NC(=O)CN(CC1=CC=CC=C1)S(C)(=O)=O


Input: 2-methoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide


Input: 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

Output: CC1=NC(Cl)=CC(NCC(=O)N(C)CCC2=CC=CC=N2)=N1


Input: tert-butyl N-methyl-N-[[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-4-yl]methyl]carbamate

Output: CN(CC1CCN(C2=NC=NC3=C2C2=C(CCC2)S3)CC1)C(=O)OC(C)(C)C


Input: 6-chloro-4-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-N-methylpyrimidine-4,5-diamine


Input: 5-(2-methylpyridin-3-yl)-3-[(1R,3R,8S)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-1,2,4-oxadiazole

Output: CC1=NC=CC=C1C1=NC(C2CC(C3=CC=CC=C3)N3CCCC23)=NO1


Input: N-(3-chloro-4-methylphenyl)-5-[4-(piperidine-1-carbonyl)pyrazolidin-3-yl]furan-2-sulfonamide

Output: CC1=CC=C(NS(=O)(=O)C2=CC=C(C3NNCC3C(=O)N3CCCCC3)O2)C=C1Cl


Input: N-(cyclooctylmethyl)oxolane-3-carboxamide


Input: 1-[(Z)-2-(bromomethyl)-3-methylbut-1-enyl]-3-chlorobenzene


Input: 3-[(4E)-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylpropanoic acid

Output: O=C(O)CCSC1=NC(=CC2=CC=CS2)C(=O)N1C1=CC=CC=C1


Input: (1-methyl-5-bicyclo[2.1.1]hexanyl)methanol


Input: 5-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]pyrazolidine-3-carboxamide

Output: CC(=O)C1CC(C(=O)NC2CC(=O)N(CCC3=CC=C(F)C=C3)C2)NN1


Input: 1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-fluorophenoxy)propan-2-ol


Input: N-(2-cyanoethyl)-6-(furan-2-yl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Output: CC(C)N1N=CC2=C(C(=O)N(C)CCC#N)C=C(C3=CC=CO3)N=C21


Input: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]propanamide

Output: CC(NC(=O)CC12CC3CC(CC(Br)(C3)C1)C2)C(N)=O


Input: (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]prop-2-enamide

Output: CC1CC1C1=CC=C(C=CC(=O)NC2=CC=C(NC(=O)CN3CCOCC3)C=C2)O1


Input: N-[4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]phenyl]furan-2-carboxamide

Output: O=C(CN1N=NC(C2=CC=CC=C2)=N1)NC1=CC=C(NC(=O)C2=CC=CO2)C=C1


Input: 2-(2-cyanophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

Output: N#CC1=CC=CC=C1OCC(=O)NC1=CC=CC(OCC2CCCO2)=C1


Input: 2,2-dimethyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]propanamide


Input: 4-(6-amino-2-fluoropurin-9-yl)-N-(4,4,6,6-tetramethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexane-1-carboxamide

Output: CC1(C)CC2=C(SC(NC(=O)C3CCC(N4C=NC5=C(N)N=C(F)N=C54)CC3)=N2)C(C)(C)N1


Input: 5-(9,9-dimethylfluoren-3-yl)-12-(4-naphthalen-2-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole

Output: CC1(C)C2=CC=CC=C2C2=CC(C3=CC4=C(OC5=CC=CC=C54)C4=C3C3=CC=CC=C3N4C3=NC(C4=CC=C5C=CC=CC5=C4)=C4C=CC=CC4=N3)=CC=C21


Input: 2-(2-chloro-4-fluorophenoxy)-N-[[(4E,6E,8E)-1,3-dioxonin-6-yl]methyl]butanamide

Output: CCC(OC1=CC=C(F)C=C1Cl)C(=O)NCC1=CC=COCOC=C1


Input: 3-[5-[3-[5-[6-(ethylamino)pyridin-3-yl]-3-oxopent-1-en-2-yl]-4-(methylamino)phenyl]pyridin-3-yl]-1,1-dimethylurea

Output: C=C(C(=O)CCC1=CC=C(NCC)N=C1)C1=CC(C2=CN=CC(NC(=O)N(C)C)=C2)=CC=C1NC


Input: dinonan-5-yl 10-[3-(dimethylamino)propyl-(9-hydroxy-9-nonan-5-yloxynonanoyl)amino]nonadecanedioate

Output: CCCCC(CCCC)OC(=O)CCCCCCCCC(CCCCCCCCC(=O)OC(CCCC)CCCC)N(CCCN(C)C)C(=O)CCCCCCCC(O)OC(CCCC)CCCC


Input: N'-[(Z)-1-hydroxyethyliminomethyl]ethanimidamide

Output: CC(N)=NC=NC(C)O


Input: benzyl 3-[(5R)-3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanoate

Output: CC(CC1CC(C2=CC=C(Br)C=C2F)=NO1)(C(=O)OCC1=CC=CC=C1)S(C)(=O)=O


Input: ethyl 5-(3-methoxy-3-oxopropyl)-2-(trifluoromethyl)benzoate

Output: CCOC(=O)C1=CC(CCC(=O)OC)=CC=C1C(F)(F)F


Input: [2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (7E,9E,11E,13E,15E,17E)-icosa-7,9,11,13,15,17-hexaenoate

Output: CCC=CC=CC=CC=CC=CC=CCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCC=CC=CC=CC=CC=CCC


Input: N-[(4Z)-4-methylsulfonylimino-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]octadecanamide

Output: CCCCCCCCCCCCCCCCCC(=O)N=C1C=CC(=NS(C)(=O)=O)C(C(F)(F)F)=C1


Input: 2-[5-fluoro-2-[6-[4-fluoro-2,6-bis[2-tri(propan-2-yl)silylethynyl]phenyl]pyrimidin-4-yl]phenyl]ethynyl-tri(propan-2-yl)silane

Output: CC(C)[Si](C#CC1=CC(F)=CC=C1C1=CC(C2=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C(F)C=C2C#C[Si](C(C)C)(C(C)C)C(C)C)=NC=N1)(C(C)C)C(C)C


Input: 1,4-diazepan-1-yl-[2-(2-phenylethylsulfanyl)pyridin-3-yl]methanone


Input: (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide

Output: N#CC1=CC=NC(N2C(=O)CCC2C(=O)N(C2=CN=CC(F)=C2)C(C(=O)NC2CCC(F)(F)CC2)C2=CC=CC=C2Cl)=C1


Input: (2,3-diethyl-10-hexoxycarbonyloxyanthracen-9-yl) hexyl carbonate

Output: CCCCCCOC(=O)OC1=C2C=CC=CC2=C(OC(=O)OCCCCCC)C2=CC(CC)=C(CC)C=C12


Input: 2-[3-(benzylamino)phenyl]-N-hydroxy-2-phenylacetamide

Output: O=C(NO)C(C1=CC=CC=C1)C1=CC=CC(NCC2=CC=CC=C2)=C1


Input: 2-methyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide

Output: CC(C)C(=O)NC1=CC(=O)NC2=NC(C3=CC=CC=C3)=NN12


Input: N,N-dimethyl-2-[(3-nitro-9a,10-dihydro-4aH-acridin-9-ylidene)amino]ethanamine;dihydrochloride

Output: CN(C)CCN=C1C2=CC=CC=C2NC2C=C([N+](=O)[O-])C=CC12;Cl;Cl


Input: 2-(2-bromo-4-methylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

Output: CC1=CC=C(OCC(=O)NN=CC2=CC=CC=C2O)C(Br)=C1


Input: 2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitrophenol

Output: CCC1=CC=C2OC(C3=CC=CC(N=CC4=CC([N+](=O)[O-])=CC(OC)=C4O)=C3)=NC2=C1


Input: (1S,2R,6S,7R)-4-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

Output: O=C1C2C3C=CC(CC3)C2C(=O)N1N=CC1=CC(Br)=CC([N+](=O)[O-])=C1O


Input: N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

Output: CC1=NC(C)=C(CCC(=O)NC(C)C2=CC=CC=C2Cl)C(=O)N1


Input: 2-(2-hydroxyphenyl)-3,5-dihydro-1-benzazepin-4-one


Input: 2-hydroxyimino-2-(5-nitro-1H-1,2,4-triazol-3-yl)acetic acid

Output: O=C(O)C(=NO)C1=NNC([N+](=O)[O-])=N1


Input: dioxovanadium;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-5-ol

Output: O=[V]=O;OC1=CC=CC2=C3N=C4N=C(N=C5NC(=NC6=NC(=NC(=C12)N3)C1=CC=CC=C61)C1=CC=CC=C51)C1=CC=CC=C41


Input: N-[(4-phenyloxan-4-yl)methyl]-3-propan-2-yl-2-azaspiro[3.4]oct-6-ene-2-carboxamide

Output: CC(C)C1N(C(=O)NCC2(C3=CC=CC=C3)CCOCC2)CC12CC=CC2


Input: 1-[2-(difluoromethoxy)benzoyl]-N-(1-methoxypropan-2-yl)pyrrolidine-2-carboxamide

Output: COCC(C)NC(=O)C1CCCN1C(=O)C1=CC=CC=C1OC(F)F


Input: 4-hydroxy-5-[7-(4-hydroxy-3-methylbut-2-enyl)-1H-indole-3-carbonyl]-3-[2-(hydroxymethyl)-1H-indol-3-yl]thiophene-2-carboxylic acid

Output: CC(=CCC1=CC=CC2=C1NC=C2C(=O)C1=C(O)C(C2=C(CO)NC3=CC=CC=C23)=C(C(=O)O)S1)CO


Input: 2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]-4-methoxyphenol

Output: COC1=CC=C(O)C(C=NOCCON=CC2=CC(OC)=CC=C2O)=C1


Input: 3-[9-[3-[5-(2,3-dihydronaphthalen-1-yl)-4-naphthalen-1-ylnaphthalen-1-yl]phenyl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

Output: C1=C2C=CC=CC2=C(C2=CC=CC3=C(C4=CC=CC(N5C6=CC=CC=C6C6=CC(C7=CC=C8C(=C7)C7=CC=CC=C7N8C7=NC(C8=CC=CC=C8)=NC(C8=CC=CC=C8)=N7)=CC=C65)=C4)C=CC(C4=CC=CC5=CC=CC=C45)=C23)CC1


Input: 2-[4-methoxy-3-(methoxymethyl)phenyl]-6-(4-methyl-1,4-diazepan-1-yl)chromen-4-one

Output: COCC1=CC(C2=CC(=O)C3=CC(N4CCCN(C)CC4)=CC=C3O2)=CC=C1OC


Input: 4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(3-thiophen-2-ylbenzoyl)amino]benzamide

Output: CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(C)CC3)C=C2)C=C1NC(=O)C1=CC=CC(C2=CC=CS2)=C1


Input: (4S,5R)-1-methyl-4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-5-pyridin-3-ylpyrrolidin-2-one

Output: CC1=NC2=NC=NN2C(NCC2CC(=O)N(C)C2C2=CC=CN=C2)=C1


Input: N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide

Output: CN1CCC(CCO)(NC(=O)C2=CC=NC(C3=CC=CC=C3)=N2)CC1


Input: [(12Z,15Z)-34-[[(E)-1,3-dihydroxytetradec-4-en-2-yl]amino]-34-oxotetratriaconta-12,15-dienyl] docosanoate

Output: CCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCC=CCC=CCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC


Input: [3-[(2-dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate

Output: CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(CO)OC(=O)CCCCCCCCCCC


Input: N-(2-adamantylmethyl)-3-(aminomethyl)cyclohexan-1-amine


Input: (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,4S)-4-[4-(4-chlorophenyl)phenoxy]-1-[4-(cyclohexylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanone;2,2,2-trifluoroacetic acid

Output: NC1CC2CCC(C1)N2C(=O)C1CC(OC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)CCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1;O=C(O)C(F)(F)F


Input: 1-propan-2-yl-5-[(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl]piperidin-2-one

Output: CC(C)N1CC(CN2CC3(C)CN(C)CC(C)(C2)C3)CCC1=O


Input: (2R,5S,7R,9aR)-1,1,4a,7-tetramethyl-2-phenylmethoxy-5-prop-2-enyl-7-[(3S)-3-trimethylsilyloxypent-4-enyl]-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-6-one

Output: C=CCC1C(=O)C(C)(CCC(C=C)O[Si](C)(C)C)CCC2C(C)(C)C(OCC3=CC=CC=C3)CCC12C


Input: 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one

Output: O=C1NN=C(C2=CC=C(OC3=CC=C(C4=NNC(=O)C5=NN(C6=CC=C(F)C=C6)C=C45)C=C3)C=C2)C2=CN(C3=CC=C(F)C=C3)N=C12


Output: COC1=CC=C(CC2NC(=O)C=CCC(C(C)C3OC3C3=CC=C(CN=[N+]=[N-])C=C3)OC(=O)C(CC(C)(C)C)NC(=O)C(C)(C)C(C)NC2=O)C=C1Cl


Input: (2E,3Z)-2-[[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]methylidene]hexa-3,5-dienenitrile

Output: C=CC=CC(C#N)=CC1=CC=C(N2C3=CC=CC=C3C3=CC(C4=CC=CC=C4)=CC=C32)C(C2=CC(C3=NC(C4=CC(C(C)(C)C)=CC(C(C)(C)C)=C4)=NC(C4=CC(C(C)(C)C)=CC(C(C)(C)C)=C4)=N3)=CC=C2N2C3=CC=CC=C3C3=CC(C4=CC=CC=C4)=CC=C32)=C1


Input: 7-tert-butyl-12-[4-(4-methylpiperazin-1-yl)anilino]-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),5,9,11-tetraen-8-one

Output: CN1CCN(C2=CC=C(NC3=NC=C4C(=O)N(C(C)(C)C)C5=NCCN5C4=N3)C=C2)CC1


Input: tert-butyl N-methyl-N-[4-[2-methyl-6-[(2,3,3-trimethylpyrrolidine-1-carbonyl)amino]pyridin-3-yl]oxypyridin-2-yl]carbamate

Output: CC1=NC(NC(=O)N2CCC(C)(C)C2C)=CC=C1OC1=CC=NC(N(C)C(=O)OC(C)(C)C)=C1


Input: (2R,3S)-3-hydroxy-N-[(3S,4R)-4-hydroxy-2-methylhexan-3-yl]-2-nonyl-N'-phenylmethoxybutanediamide

Output: CCCCCCCCCC(C(=O)NC(C(C)C)C(O)CC)C(O)C(=O)NOCC1=CC=CC=C1


Input: (6-cyano-5,7-difluoronaphthalen-2-yl) 2-fluoro-4-pentylbenzoate

Output: CCCCCC1=CC=C(C(=O)OC2=CC=C3C(F)=C(C#N)C(F)=CC3=C2)C(F)=C1


Input: 2-[2-(2-methoxyethoxy)ethoxy]octyl hydrogen carbonate

Output: CCCCCCC(COC(=O)O)OCCOCCOC


Input: N-(3-fluoro-4-phenylphenyl)quinazolin-4-amine

Output: FC1=CC(NC2=NC=NC3=CC=CC=C23)=CC=C1C1=CC=CC=C1


Input: 2-hydroxy-2,2-diphenylacetate;trihexyl(tetradecyl)azanium

Output: CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC;O=C([O-])C(O)(C1=CC=CC=C1)C1=CC=CC=C1


Input: 2-quinolin-2-ylazetidin-3-amine;hydrochloride


Input: (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3,5-difluoro-N-[2-[(2S)-5-oxo-1-pyrimidin-2-ylpyrrolidin-2-yl]acetyl]anilino)acetamide

Output: O=C(NC1CC(F)(F)C1)C(C1=CC=CC=C1Cl)N(C(=O)CC1CCC(=O)N1C1=NC=CC=N1)C1=CC(F)=CC(F)=C1


Input: 3-[(2,5-dichlorophenyl)methyl]-2-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid

Output: CC1=C(C(=O)O)N(CC2=CC(Cl)=CC=C2Cl)C(C2=CC=CC(F)=C2)=N1


Input: 4-[5-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-chloropyridine-2-carbonyl]amino]pyridin-2-yl]oxybenzoic acid

Output: CCC(CC)N(CCN(C)C(=O)CCC(=O)O)CC1=CC=CC(C(=O)NC2=CC=C(Cl)N=C2C(=O)NC2=CC=C(OC3=CC=C(C(=O)O)C=C3)N=C2)=C1


Input: 4-methyl-N,N-bis(2-methylpropyl)thiadiazole-5-carboximidamide


Input: triphenylazanium;borate

Output: C1=CC=C([NH+](C2=CC=CC=C2)C2=CC=CC=C2)C=C1;C1=CC=C([NH+](C2=CC=CC=C2)C2=CC=CC=C2)C=C1;C1=CC=C([NH+](C2=CC=CC=C2)C2=CC=CC=C2)C=C1;[O-]B([O-])[O-]


Input: 2-butyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine


Input: 2-(4-bromo-3-methyl-2H-imidazol-1-yl)-1-thiophen-2-ylethanone


Input: 3-(1-azabicyclo[2.2.1]heptan-3-yloxy)-4-[(E)-but-2-enoxy]-1,2,5-thiadiazole


Input: 4-[4-[2-[6-[2-(4-cyano-3-fluorocyclohexyl)ethynyl]piperidin-3-yl]ethynyl]cyclohexyl]-2,6-difluorocyclohexane-1-carbonitrile

Output: N#CC1CCC(C#CC2CCC(C#CC3CCC(C4CC(F)C(C#N)C(F)C4)CC3)CN2)CC1F


Input: tert-butyl 3-[(2-bromobenzoyl)amino]-2-diazo-3-phenylpropanoate

Output: CC(C)(C)OC(=O)C(=[N+]=[N-])C(NC(=O)C1=CC=CC=C1Br)C1=CC=CC=C1


Input: 1-(1-deuterio-4,4-dimethylcyclohexyl)-4-methylbenzene


Input: N-[2-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)pyridin-2-yl]dibenzofuran-4-yl]-N-phenylpyridin-2-amine

Output: CC(C)(C)C1=CC(C2=CC(C3=CC(N(C4=CC=CC=C4)C4=CC=CC=N4)=C4OC5=CC=CC=C5C4=C3)=NC(C3=CC=CC4=C3NC3=CC=CC=C34)=C2)=CC(C(C)(C)C)=C1


Input: 1,3,5-trimethyl-2,6-bis(2,4,5-trimethylphenyl)pyridin-1-ium

Output: CC1=CC(C)=C(C2=C(C)C=C(C)C(C3=CC(C)=C(C)C=C3C)=[N+]2C)C=C1C


Input: 2-[4,4,4-trifluoro-3-[1,1,1-trifluoro-4-(oxan-2-yloxy)butan-2-yl]oxybutoxy]oxane

Output: FC(F)(F)C(CCOC1CCCCO1)OC(CCOC1CCCCO1)C(F)(F)F


Input: 4-(azepin-1-yl)-2-(6-fluoro-1-benzofuran-2-yl)quinoline-6-carboxylic acid

Output: O=C(O)C1=CC=C2N=C(C3=CC4=CC=C(F)C=C4O3)C=C(N3C=CC=CC=C3)C2=C1


Input: N-[2-ethyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-(1-ethylpyrazol-4-yl)-5-methylpyrimidin-2-yl]amino]benzamide

Output: CCC1=CC=C(CN2CCOCC2)C=C1NC(=O)C1=CC=C(NC2=NC=C(C)C(C3=CN(CC)N=C3)=N2)C=C1


Input: N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-N-cyclohexyl-4-nitrobenzamide

Output: CC(C)(C)C1=CC(N(C(=O)C2=C(Cl)C=C([N+](=O)[O-])C=C2Cl)C2CCCCC2)=CC=C1O


Input: tert-butyl 2-tert-butyl-4-(1,3-dioxoisoindol-2-yl)piperidine-1-carboxylate

Output: CC(C)(C)OC(=O)N1CCC(N2C(=O)C3=CC=CC=C3C2=O)CC1C(C)(C)C


Input: 2-[[1-(1,3-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-7-methylindol-4-yl]-hydroxymethyl]-3H-benzimidazole-5-carbonitrile

Output: CC1=CC(C)(S(=O)(=O)N2C=CC3=C(C(O)C4=NC5=CC=C(C#N)C=C5N4)C=CC(C)=C32)CC=C1


Input: 6-fluoro-4,4-dimethyl-2,2-di(propan-2-yl)-1,3,2,4-benzodioxadisiline

Output: CC(C)[Si]1(C(C)C)OC2=CC=C(F)C=C2[Si](C)(C)O1


Input: 1-chloro-2,3-dimethylbenzene;5-[1-(4-methylphenyl)ethyl]-1,2,4-oxadiazole

Output: CC1=CC=C(C(C)C2=NC=NO2)C=C1;CC1=CC=CC(Cl)=C1C


Input: (4R)-N-(2-aminoethyl)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

Output: CC1=C(C(=O)NCCN)C(C2=CC=C(F)C(F)=C2)CC(=O)N1C


Input: 1-(2,3-dimethylbut-2-enyl)-1-ethyl-3,3-dimethylurea

Output: CCN(CC(C)=C(C)C)C(=O)N(C)C


Output: C=CC(=CC(F)=CC)C1CCC(C)CC2=NC=C(CNCC(=O)NC(C=CC)=C3C=C(O)C=CC3=C)N21


Input: N-[[(4S)-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-N-methyl-4-(4-methylphenoxy)benzenesulfonamide

Output: CC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC3NC(O)NC3=O)C=C2)C=C1


Input: (5-bromopyrazolo[4,3-b]pyridin-1-yl)-iodophosphane


Input: N-(1-aminoethylidene)formamide;1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde

Output: CC(N)=NC=O;CNC1=CC=C(C)C=C1C1(C=O)CCC(N2CCCCC2)CC1


Input: chlorobenzene;5-chloro-2-[[(1R)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxo-1H-isoindol-2-yl]methyl]benzoic acid

Output: CCC(O)(C1=CC(F)=C2C(=C1)C(=O)N(CC1=CC=C(Cl)C=C1C(=O)O)C2OC)C1CCOCC1;ClC1=CC=CC=C1


Input: 8-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]


Input: ethyl 2-[4-[1-(3-methyl-2-phenylmethoxyphenyl)cyclopenta[d]oxazin-4-yl]phenoxy]acetate

Output: CCOC(=O)COC1=CC=C(C2=NOC(C3=CC=CC(C)=C3OCC3=CC=CC=C3)=C3C=CC=C32)C=C1


Input: (2R,4R)-2-(4-chlorophenyl)-2-N-[2-[2-(dimethylamino)ethoxy]-4-morpholin-4-ylphenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

Output: CN(C)CCOC1=CC(N2CCOCC2)=CC=C1NC(=O)C1(C2=CC=C(Cl)C=C2)CC(O)CN1C(N)=O


Input: 6-[4-(hydroxyamino)phenoxy]-2,3-dihydroisoindol-1-one


Input: N-[[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,2-dioxo-2lambda6-thia-1-azaspiro[4.4]non-3-en-4-yl]methyl]-N-ethylpropanamide

Output: CCC(=O)N(CC)CC1=C(C2=CC=C(Cl)C=C2)S(=O)(=O)N(CC2CC2)C12CCCC2


Input: 3-chloro-4-[1-[cyclohexylmethyl(methyl)amino]ethenyl]-N-methylaniline


Input: (4Z,6E)-2-amino-4-ethenyl-7-[(2-methylpropan-2-yl)oxy]octa-4,6-diene-1-sulfonic acid;(2S)-2-amino-3-(4-methoxyphenyl)propane-1-sulfonic acid

Output: C=CC(=CC=C(C)OC(C)(C)C)CC(N)CS(=O)(=O)O;COC1=CC=C(CC(N)CS(=O)(=O)O)C=C1


Input: (Z)-N'-ethyl-N'-methyl-N-(4-methylphenyl)ethene-1,2-diamine


Input: N-ethyl-N-methanethioylformamide

Output: CCN(C=O)C=S


Input: 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Output: C=C(C=CC(=C)NS(=O)(=O)C1=CC=C(N=NC2=C(S(=O)(=O)O)C=C3C=C(S(=O)(=O)O)C(N=NC4=CC=C(S(=O)(=O)CCOS(=O)(=O)O)C=C4)=C(O)C3=C2N)C=C1)N=NC1=CC=C(N)C=C1N


Input: 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-[4-[4-(cycloheptylamino)sulfanylphenyl]piperazin-1-yl]propan-1-one

Output: CC(C(=O)N1CCN(C2=CC=C(SNC3CCCCCC3)C=C2)CC1)N1CCCC2=CC(Cl)=CC=C21


Input: 2-[[bis[2-[(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)methyl-[(2,4,6-trihydroxy-3,5-dimethylphenyl)methyl]amino]ethyl]amino]methyl]-4,6-dimethylbenzene-1,3,5-triol

Output: COC1=C(C)C(O)=C(C)C(O)=C1CN(CCN(CCN(CC1=C(O)C(C)=C(O)C(C)=C1O)CC1=C(O)C(C)=C(O)C(C)=C1OC)CC1=C(O)C(C)=C(O)C(C)=C1O)CC1=C(O)C(C)=C(O)C(C)=C1O


Input: (2S)-6-[(3-methoxycyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene


Input: methyl 2-(2,4,5-trifluorophenyl)pyrimidine-4-carboxylate

Output: COC(=O)C1=CC=NC(C2=CC(F)=C(F)C=C2F)=N1


Input: N-[amino(pyridin-4-yl)methylidene]-4-(2-methylpropoxy)benzamide

Output: CC(C)COC1=CC=C(C(=O)N=C(N)C2=CC=NC=C2)C=C1


Input: [5-[2-[[5-(2-bromoethyl)thiophen-2-yl]methyl-methylamino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane

Output: C1CCCCC1;CN(CCC1=CN=C(C(O)C2=CC=CC=C2)O1)CC1=CC=C(CCBr)S1


Input: N-[[3-[4-[[2-(2-chloroprop-2-enyl)hydrazinyl]methylideneamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Output: C=C(Cl)CNNC=NC1=CC=C(N2CC(CNC(C)=O)OC2=O)C=C1F


Input: 4-N-ethyl-4-N-[2-(oxiran-2-ylmethoxy)ethyl]benzene-1,4-diamine


Input: 2-(4-fluorophenyl)-N-methyl-5-[3-[N-methyl-2-(methylamino)anilino]phenyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

Output: CNC(=O)C1=C(C2=CC=C(F)C=C2)OC2=CC(N(C)S(C)(=O)=O)=C(C3=CC=CC(N(C)C4=CC=CC=C4NC)=C3)C=C12


Input: 2-[[3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]pyridin-2-yl]amino]acetaldehyde

Output: CN1C(C(F)(F)F)=CC(=O)N(C2=CC(OC3=CC=CN=C3NCC=O)=C(Cl)C=C2F)C1=O


Input: ethyl 4-(3,4-dimethylpyrazol-1-yl)cyclohexane-1-carboxylate

Output: CCOC(=O)C1CCC(N2C=C(C)C(C)=N2)CC1


Input: ethane;7-methyl-3-methylidene-10H-pyrido[2,3-b][1,8]naphthyridine-2,8-diimine


Input: 9-fluoro-6-methyl-8-(4-methylpentoxy)benzo[c][2,7]naphthyridin-5-one

Output: CC(C)CCCOC1=CC2=C(C=C1F)C1=CC=NC=C1C(=O)N2C


Input: (2S)-N-methoxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide


Input: 2-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-trien-5-yl]phenyl]-4,6-diphenylpyrimidine

Output: C1=CC=C(C2=CC(C3=CC=CC=C3)=NC(C3=CC=CC(C4=CSC5=C4SC4=C5SCC4C4=CC=CC(C5=NC(C6=CC=CC=C6)=CC(C6=CC=CC=C6)=N5)=C4)=C3)=N2)C=C1


Input: 3-[(2S,3R)-3-(2-aminophenyl)-1-hydroxybutan-2-yl]oxypentan-3-ol


Output: CC(C)(C)O;CC1=NC2=CC3=NN2C(=C1CC(=O)O)N1CCC(C)(CC1)OCC=CCCOC1=C(F)C=CC=C1C1=CC3=CC=C1


Input: 9-(9,9-diphenylfluoren-2-yl)-2-(2-ethylphenyl)carbazole;1-methyl-3,5-diphenylbenzene;toluene

Output: CC1=CC(C2=CC=CC=C2)=CC(C2=CC=CC=C2)=C1;CC1=CC=CC=C1;CCC1=CC=CC=C1C1=CC=C2C3=CC=CC=C3N(C3=CC=C4C5=CC=CC=C5C(C5=CC=CC=C5)(C5=CC=CC=C5)C4=C3)C2=C1


Input: 6-pyrrolidin-1-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfanylimidazo[1,2-a]pyridine-3-carboxamide

Output: O=C(NSC1=CC=C(N2C=NC=N2)C=C1)C1=CN=C2C=CC(N3CCCC3)=CN12


Input: [7-methyl-5-(trifluoromethyl)-2-(2,7,7-trimethyl-4,6-dihydro-[1,3]oxazolo[5,4-c]pyridin-5-yl)cyclohepta-1,3,6-trien-1-yl]methylhydrazine

Output: CC1=CC(C(F)(F)F)C=CC(N2CC3=C(N=C(C)O3)C(C)(C)C2)=C1CNN


Output: CC(C)C1=C2C3CCC4C(C)(CCC5C(C)(C)C(CC(=O)C6CC(C=O)C6C)CCC54C)C3CCC2(CCNC(=O)C2=CC=C(N)N=C2)CC1=O;CO


Output: CCCCOC1=CC2=C(C=C1OC)C1CC3=C(CN1CC2)N(CO)C1=CC=C(OCC2CN4CC5=C(CC4C4=CC(OC)=C(OCCCC)C=C42)C2=CC=CC=C2N5CO)C=C31


Input: (3aS,6R)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan


Input: (3E,4E)-3,4-bis(prop-2-enylidene)oxolane-2,5-dione;ethane


Output: COC(CF)=C(C)F


Input: [(5S,8R,9S,12S,13R,14S,17R)-7-acetyloxy-12-hydroxy-10,13-dimethyl-17-[5-(oxetan-3-yl)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Output: CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(O)C2(C)C(C(C)CCCC3COC3)CCC12


Input: 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-piperidin-2-ylethyl)pyridine-2-carboxamide

Output: CN1C(NC2=CC=C(Cl)C=C2)=NC2=CC(OC3=CC=NC(C(=O)NCCC4CCCCN4)=C3)=CC=C21


Input: dimethyl 4-[3-[3,4-bis(methoxycarbonyl)phenyl]-1-adamantyl]benzene-1,2-dicarboxylate

Output: COC(=O)C1=CC=C(C23CC4CC(C2)CC(C2=CC=C(C(=O)OC)C(C(=O)OC)=C2)(C4)C3)C=C1C(=O)OC


Input: 4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

Output: COC1=CC=C(CNC2CCN(C3=NC(C(N)=O)=NC(C)=C3C)C2)C=C1


Input: 3-[5-[9-(3,4-dihydronaphthalen-2-yl)-10-[(E)-2-(2-ethylphenyl)ethenyl]-6,7-dihydroanthracen-2-yl]pyridin-2-yl]-4a,8a-dihydroquinoline

Output: CCC1=CC=CC=C1C=CC1=C2C=CC(C3=CC=C(C4=CC5C=CC=CC5N=C4)N=C3)=CC2=C(C2=CC3=CC=CC=C3CC2)C2=CCCC=C12


Input: 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoropyridin-2-yl)ethenyl]-1,3,4-oxadiazole

Output: FC1=CN=C(C=CC2=NN=C(CC3=CC=CC(Br)=C3)O2)C(F)=C1


Input: N-[(9S,10R)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide

Output: CC1=CC=CC2=CC=CC(C(=O)NC3CN4C(N)=NC(CN5C(=O)CCC5=O)C5N=C(N)NC54C3O)=C12


Input: 3,3-bis(sulfanyl)-N-(2H-triazol-4-ylmethyl)propanamide


Output: CC(=O)C1=NN(CC(=O)N2C3CC4(CC5=NC(=NO5)C=CCOCC5=CC=C(Br)N=C5CC3=O)CC24)C2=C(C)C=C(C3=CN=C(C)N=C3)C=C12


Input: 7-[1-[(2S)-2,4-diamino-4-oxobutanoyl]azetidin-3-yl]oxy-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Output: NC(=O)CC(N)C(=O)N1CC(OC2=CC=C3CCB(O)OC3=C2C(=O)O)C1


Input: 2-[2-(3-ethylpent-1-en-3-yl)-4,6-difluorophenyl]pyridine

Output: C=CC(CC)(CC)C1=CC(F)=CC(F)=C1C1=CC=CC=N1


Input: 15-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]-8,10-diphenoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

Output: O=C1C2=C3C(=C4C=CC=CC4=C(OC4=CC=CC=C4)C3=C(OC3=CC=CC=C3)C=C2)C(=O)N1CCC1=C(F)C(F)=C(F)C(F)=C1F


Input: 1,5-di(propan-2-yl)imidazole-4-carboxamide


Input: 6-N-naphthalen-1-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

Output: NC1=C2C(C(F)(F)F)=CC(NC3=CC=CC4=CC=CC=C34)=NC2=NN1


Input: [2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methanol


Input: hexadec-1-enyl(methoxy)phosphinic acid

Output: CCCCCCCCCCCCCCC=CP(=O)(O)OC


Input: N-[(4-cyanophenyl)methyl]-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

Output: CS(=O)(=O)C1(CN2CCN3C(=CC=C(C(=O)NCC4=CC=C(C#N)C=C4)C3=O)C2=O)CC1


Input: iridium;4-phenyl-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenylpyridin-3-yl]silane

Output: CC(C)CC1=CC(C2=[C-]C=CC=C2)=NC=C1[Si](C)(C)C;[C-]1=CC=CC=C1C1=CC(C2=CC=CC=C2)=CC=N1;[Ir]


Input: tris(2-ethylhexyl)azanium;tetrafluoroborate

Output: CCCCC(CC)C[NH+](CC(CC)CCCC)CC(CC)CCCC;F[B-](F)(F)F


Input: 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methylpyrrole-2-carboxylate

Output: CCC1=C(C#N)C(C2=CC=C(Br)C=C2)=C(C(=O)[O-])N1C


Input: (6R)-7-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Output: COC1=C(C(=O)O)N2C(=O)C(NC(=O)CSC3=CC=CC=C3Cl)C2SC1


Input: (7R,8R,9S,10R,13S,14S)-7-ethynyl-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one


Input: (E)-2-[4-[2-(dimethylamino)ethylcarbamoyl]-2-[(2-hydroxy-3-methoxybenzoyl)amino]-3H-1,3-thiazol-2-yl]but-2-enedioate

Output: COC1=CC=CC(C(=O)NC2(C(=CC(=O)[O-])C(=O)[O-])NC(C(=O)NCCN(C)C)=CS2)=C1O


Output: CC(C)CCCCCCCC=CCCCCCCCC[NH2+]CC1=CC=CC=C1


Input: 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(5-methylpyrazol-1-yl)pyridine-2-carboxylate

Output: CC1=CC=NN1C1=CC(C(=O)[O-])=NC(C2=CC=CC(C#CC3(O)CCN(C)C3=O)=C2)=C1


Input: N-[[2-(aminomethyl)-3,4-di(propan-2-yl)-1-(2,2,2-trichloroacetyl)-2H-pyridin-6-yl]methyl]-2,2,2-trichloroacetamide

Output: CC(C)C1=C(C(C)C)C(CN)N(C(=O)C(Cl)(Cl)Cl)C(CNC(=O)C(Cl)(Cl)Cl)=C1


Input: N-[5-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]benzenesulfonamide

Output: O=S(=O)(NC1=CC=C2C(NS(=O)(=O)C3=CC=CC=C3)=CC=CC2=C1O)C1=CC=CC=C1


Input: naphthalen-1-yl-(3-pentoxyphenyl)methanone

Output: CCCCCOC1=CC=CC(C(=O)C2=CC=CC3=CC=CC=C23)=C1


Input: 2-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylate

Output: O=C([O-])C1=CC=NC2=C1NC(C(=O)N1CCCCC1)=C2


Input: 2-[4-[(7R)-8-(butylamino)-7-methyl-8-oxooctyl]-2-(3-methoxypropoxy)phenoxy]acetic acid

Output: CCCCNC(=O)C(C)CCCCCCC1=CC=C(OCC(=O)O)C(OCCCOC)=C1


Input: 1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]pyridin-3-yl]-4-phenylmethoxypyridin-2-one

Output: CSC1=CN=C(NC2CCC(NC3=CC=C(N4C=CC(OCC5=CC=CC=C5)=CC4=O)C=N3)C2)N=C1


Input: 4-[(3R)-3-aminopyrrolidin-1-yl]-N-ethyl-5,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-2-carboxamide

Output: CCN(CC1=CC=C(C)C=C1)C(=O)C1=NC(C)=C(C)C(N2CCC(N)C2)=N1


Input: (E)-N,N-dimethyl-3-(5-methylcyclohepta-1,3-dien-6-yn-1-yl)prop-2-enamide


Input: N-[2-[2-(5-formamido-1,2-oxazol-3-yl)cyclopropyl]phenyl]acetamide


Input: 5-[2-(4,4-difluoropiperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]-2-methyl-3H-isoindol-1-one

Output: CN1CC2=CC(N3CCCC4=C3NC(C(=O)N3CCC(F)(F)CC3)=C4)=CC=C2C1=O


Input: 7-[2,2-dichloro-1-(ethyldisulfanyl)ethyl]tridecane

Output: CCCCCCC(CCCCCC)C(SSCC)C(Cl)Cl


Input: 1-propan-2-yloxycarbonyloxyethyl 3-[2-[[4-[N-(1-aminopropan-2-yloxycarbonyl)carbamimidoyl]phenyl]carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-[(cyclopropylmethylamino)-hydroxymethyl]pyridine-2-carboxylate

Output: C=CC1=CC(C(=O)NC2=CC=C(C(=N)NC(=O)OC(C)CN)C=C2)=C(C2=CC=C(C(O)NCC3CC3)N=C2C(=O)OC(C)OC(=O)OC(C)C)C=C1OC


Input: N-(1-naphthalen-2-ylethylidene)-N'-[1-(3-pyridin-3-ylphenyl)ethenyl]-9,9'-spirobi[fluorene]-2-carboximidamide

Output: C=C(N=C(N=C(C)C1=CC=C2C=CC=CC2=C1)C1=CC=C2C3=CC=CC=C3C3(C4=CC=CC=C4C4=CC=CC=C43)C2=C1)C1=CC=CC(C2=CC=CN=C2)=C1


Input: methanol;zinc

Output: CO;CO;CO;CO;[Zn]


Output: CN1C(=O)N(C2CCC(=O)NC2=O)C2=CC=C(CCCCOC3=CC=C4CC(C(=O)NC(CCC(N)=O)C(=O)NC(C5=CC=CC=C5)C5=CC=CC=C5)N5C(=O)C(NC(=O)OC(C)(C)C)CCC3=C45)C=C21


Input: 4-[2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-yn-1-ol

Output: COC1=CC=CC(C2=C(CN3CCOCC3)C3=CC(C#CCCO)=CN=C3N2)=C1


Input: ethenyl 3-[4-[(9-methyl-7-prop-2-enoylsulfanyl-9H-fluoren-2-yl)sulfanylcarbonyl]phenoxy]propanoate

Output: C=COC(=O)CCOC1=CC=C(C(=O)SC2=CC=C3C4=CC=C(SC(=O)C=C)C=C4C(C)C3=C2)C=C1


Input: [(2Z)-2-cyano-2-[[3,5-dichloro-4-[3-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]hydrazinylidene]acetyl]carbamic acid

Output: CC1=CC=C(S(=O)(=O)N2C=C(CC3CC3)C3=CC(OC4=C(Cl)C=C(NN=C(C#N)C(=O)NC(=O)O)C=C4Cl)=CC=C32)C=C1


Input: ethyl 2-[8-chloro-2-[(3,3-dimethylcyclobutyl)amino]-9-methylsulfanyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetate

Output: CCOC(=O)CN1C2=NC(NC3CC(C)(C)C3)=CC=C2C(=O)C2=CC=C(Cl)C(SC)=C21


Input: 3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-5-[4-[(4-phenylpyridin-2-yl)carbamoyl]phenyl]imidazole-4-carboxylic acid

Output: CC(C)(C)OC(=O)N1CCCCC1C1=NC(C2=CC=C(C(=O)NC3=CC(C4=CC=CC=C4)=CC=N3)C=C2)=C(C(=O)O)N1N


Input: methyl 4-cyclopropyl-2-oxo-1,3-dihydroindole-6-carboxylate

Output: COC(=O)C1=CC2=C(CC(=O)N2)C(C2CC2)=C1


Input: (Z)-1-[amino-[[6-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-2-yl]methyl]amino]-6-propan-2-yloxyhex-1-en-2-amine

Output: CC(C)OCCCCC(N)=CN(N)CC1=CC=CC(N2CC3CC2CN3C(C)C)=N1


Input: 1-chloro-3-ethynyl-2-(2-methylpropoxy)benzene


Input: 10-[8-[4-(benzenesulfonyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzoxasilin-2-yl]-9,9-dimethylacridine

Output: CC1(C)C2=CC=CC=C2N(C2=CC=C3OC4=CC=C(C5=CC=C(S(=O)(=O)C6=CC=CC=C6)C=C5)C=C4[Si](C)(C)C3=C2)C2=CC=CC=C21


Input: 6-aminobicyclo[2.2.2]octan-2-ol;hydrochloride


Input: N-[[3-[4-(5-chloropyridin-3-yl)-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2-methylpropanamide

Output: CC(C)C(=O)NCC1=CC=C(F)C(C2NC(=O)CC(C3=CN=CC(Cl)=C3)N2)=C1


Input: 2-(1,3-oxazole-4-carbonyl)-10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one

Output: CC(C)N1CC2(CCN(C(=O)C3=COC=N3)C2)COCC1=O


Input: 5-chloro-6-(piperidine-1-carbonyl)-1,3-dihydroindol-2-one


Input: 10-amino-6-chloro-1-ethyl-N-(4-piperidin-4-yloxypiperidin-3-yl)-4,9-diazatricyclo[6.5.0.04,12]tridecane-11-carboxamide

Output: CCC12CCN3CC(Cl)CC1NC(N)C(C(=O)NC1CNCCC1OC1CCNCC1)C3C2


Input: 4-naphthalen-2-yl-2-phenyl-9-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline

Output: C1=CC=C(C2=CC(C3=CC=CN=C3)=NC(C3=CC=C(C4=CC=C(C5=CC=C6C=CC7=C(C8=CC=C9C=CC=CC9=C8)C=C(C8=CC=CC=C8)N=C7C6=N5)C=C4)C=C3)=N2)C=C1


Input: 2,6-dimethyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyridin-3-amine

Output: CC1=CC=C(N(C2=CC=C(C3=CC=C(N(C4=CC=C(C5=CC=CC=C5)C=C4)C4=CC=C(C5=CC=CC=C5)C=C4)C=C3)C=C2)C2=CC=C(C3=C(C4=CC=CC=C4)N=C4C=CC=CN34)C=C2)C(C)=N1


Input: methyl 4-[[2-[1-acetyloxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]butanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoate

Output: COC(=O)CCC(CC1=CC=CC=C1)NC(=O)C1=CSC(C(CC(C(C)C)N(C)C(=O)C(NC(=O)C2CCCCN2C)C(C)C)OC(C)=O)=N1


Input: 3-(4-tert-butyl-2-phenylphenyl)-2-dibenzothiophen-4-ylbenzo[e]benzimidazole

Output: CC(C)(C)C1=CC=C(N2C(C3=CC=CC4=C3SC3=CC=CC=C34)=NC3=C4C=CC=CC4=CC=C32)C(C2=CC=CC=C2)=C1


Input: (1S,5R,13R,18S)-4-(cyclopropylmethyl)-10-methoxy-12-oxa-4,15-diazapentacyclo[9.7.1.01,13.05,18.07,19]nonadeca-7(19),8,10-trien-18-ol

Output: COC1=CC=C2CC3N(CC4CC4)CCC45C2=C1OC4CNCCC35O


Input: 1-(4-fluoro-3-methylphenyl)-2,6-dimethylindole-3-carbonitrile

Output: CC1=CC=C2C(C#N)=C(C)N(C3=CC=C(F)C(C)=C3)C2=C1


Input: [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-pentadecanoyloxy-3-tridecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] 18-methylnonadecanoate

Output: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C


Input: [(1S)-2-oxo-1-phenylpropyl] (E)-octadec-9-enoate

Output: CCCCCCCCC=CCCCCCCCC(=O)OC(C(C)=O)C1=CC=CC=C1


Input: (1S,4R)-3-bromo-4,7,7-trimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde;(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Output: CC12CCC(C(C=O)=C1Br)C2(C)C;CC12CCC(CC1=O)C2(C)C


Input: 5-[3,5-bis(2-deuteriopropan-2-yl)-4-methylphenyl]-2-methylpyrimidine

Output: CC1=NC=C(C2=CC(C(C)C)=C(C)C(C(C)C)=C2)C=N1


Output: CC(O)C(=O)N1CCC(CCN2C(SC3=CC4=C(C=C3Br)OCO4)=NC3=C(N)N=CC=C32)CC1;NC1=NC=CC2=C1N=C(SC1=CC3=C(C=C1Br)OCO3)N2CCC1CCN(C(=O)CO)CC1;NC1=NC=CC2=C1N=C(SC1=CC3=C(C=C1Cl)OCO3)N2CCC1CCN(C=O)CC1


Input: 1-bromo-4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]benzene

Output: CC(C1=CC=C(Br)C=C1)(C1=CC=C(Br)C=C1)C(F)(F)F


Input: (2S,5R)-2-phenyl-1,3-oxazolidine-5-carboxylic acid

Output: O=C(O)C1CNC(C2=CC=CC=C2)O1


Input: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;pyridine-3-carboxylic acid

Output: CC1=NC=C(C[N+]2=CSC(CCO)=C2C)C(N)=N1;CC1=NC=C(C[N+]2=CSC(CCO)=C2C)C(N)=N1;O=C(O)C1=CC=CN=C1


Input: 1-[3-iodo-2-[(4-methoxyphenyl)methoxymethyl]phenyl]ethanone


Input: (16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-N-(1-methylbenzimidazol-2-yl)-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide

Output: CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)NC1=NC2=CC=CC=C2N1C


Input: methyl 3-[6-methoxy-5-[2-oxo-2-[6-(trifluoromethyl)pyridin-2-yl]ethyl]indazol-2-yl]-2-methylpropanoate

Output: COC(=O)C(C)CN1C=C2C=C(CC(=O)C3=CC=CC(C(F)(F)F)=N3)C(OC)=CC2=N1


Input: tris(dimethylamino)-octylphosphanium;bromide

Output: CCCCCCCC[P+](N(C)C)(N(C)C)N(C)C;[Br-]


Input: 1-(5,6-dibromo-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

Output: CC(=O)N1C2=CC=CC=C2C(Br)C(Br)C2=CC=CC=C21;NC(=O)N1C2=CC=CC=C2CC(=O)C2=CC=CC=C21


Input: methane;1-methyl-3-[2-[5-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]pyrrolidin-3-ylidene]ethylidene]-2H-pyrrole

Output: C;C;C;C;C;C;C;C;CN1C=CC(=CC=C2CNC(=CC=CC3=CC=[N+](C)C3)C2)C1


Output: CC(C)C1=CC=C2C(=C1)C=NN2C;CC1=CC(C(C)(C)C)=CC(C)=N1;CC1=CC(C(C)(C)C)=NO1;CC1=CC=C(C(C)(C)C)C(C)=N1;CC1=CC=C(C(C)(C)C)N=C1C;CC1=NN(C)C(C(C)(C)C)=C1;CC1=NN(C)C=C1C(C)(C)C


Input: N-[(3R,6S,14S)-3-[3-(1-aminoethenylamino)propyl]-14-ethyl-6-methyl-2,5,13-trioxo-azacyclotetradec-6-yl]-2-methylpropanamide

Output: C=C(N)NCCCC1CC(=O)C(C)(NC(=O)C(C)C)CCCCCCC(=O)C(CC)NC1=O


Output: CC(C)(C)CC(=O)NC1(C2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2)CC1;CC1=CC=C(NC(=O)C2(C3=CC=C4OC(F)(F)OC4=C3)CC2)N=C1C1=CC=CC(C2(N)CC2)=C1;CC1=CC=C(NC(=O)C2(C3=CC=C4OC(F)(F)OC4=C3)CC2)N=C1Cl


Input: 4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

Output: O=C1OC(=O)C2C3C=CC(C3)C12;O=C1OCC2C3C=CC(C3)C12


Input: 2-methyl-1-nitro-4-(trifluoromethoxy)benzene;1-nitro-4-(trifluoromethoxy)-2-(trifluoromethylsulfanyl)benzene

Output: CC1=CC(OC(F)(F)F)=CC=C1[N+](=O)[O-];O=[N+]([O-])C1=CC=C(OC(F)(F)F)C=C1SC(F)(F)F


Input: (2-amino-3,4,5,6-tetramethylphenyl)-phenylmethanediamine;chloride

Output: CC1=C(C)C(C)=C(C(N)(N)C2=CC=CC=C2)C(N)=C1C;[Cl-]


Output: CC1=NC=C(C2=CC=C3N=CC4=C(C3=N2)N(C2=CC=C(N3CCNCC3)C(C(F)(F)F)=C2)C(=O)NC4=O)C=N1;CN1CCN(C2=CC=C(C3=CC=C4N=CC5=C(C4=N3)N(C3=CC=C(N4CCNCC4)C(C(F)(F)F)=C3)C(=O)NC5=O)C=N2)CC1


Input: 1-[(4-bromophenyl)methylsulfonyl]-2-nitrobenzene

Output: O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)CC1=CC=C(Br)C=C1


Input: 6-[(5,8-dimethyl-4-oxo-2,3-dihydro-1H-naphthalen-2-yl)methyl]-5-ethylnonane-2,4-dione;hexane;propane

Output: CCC;CCC;CCCC(CC1CC(=O)C2=C(C)C=CC(C)=C2C1)C(CC)C(=O)CC(C)=O;CCCC(CC1CC(=O)C2=C(C)C=CC(C)=C2C1)C(CC)C(=O)CC(C)=O;CCCCCC


Input: 5,12-dioxahexacyclo[7.6.1.02,8.04,6.010,15.011,13]hexadecane;ethaneperoxoic acid;tetracyclo[6.5.1.02,7.09,13]tetradeca-4,10-diene


Input: (3S,4R,6R)-3-[(2S,4R,5S)-3-acetamido-6-ethyl-5-hydroxy-4-methyloxan-2-yl]oxy-4-hydroxy-6-methoxy-5-methyloxane-2-carboxylic acid;methane

Output: C;CCC1OC(OC2C(C(=O)O)OC(OC)C(C)C2O)C(NC(C)=O)C(C)C1O


Output: C=CC=C(C=[W])C(C)=O


Input: (2S)-8-[(2E)-cyclooct-2-en-1-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid

Output: O=C(CCCCCC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21)C(=O)O)OC1C=CCCCCC1


Output: CCN1C(C2=CC=CN=C2C(C)OC)=C2CC(C)(C)COC(=O)C3CCCN(N3)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)N3CCN(C)C(C4=CC=CC=C4)C3)CC3=NC(=CS3)C3=CC=C1C2=C3;S;S;S;S;S


Input: N-[(4-chlorophenyl)methyl]-N-ethyl-4,4,4-trifluorobutan-1-amine


Input: 2-(3-bromo-2-methylphenyl)-5-ethyl-6-(trifluoromethyl)-1,3-benzoxazole

Output: CCC1=CC2=C(C=C1C(F)(F)F)OC(C1=CC=CC(Br)=C1C)=N2


Input: 2-[1-[2,2-bis(diethoxyphosphoryl)ethyl]indol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide

Output: CCOP(=O)(OCC)C(CN1C=C(C(=O)C(=O)NC2=CC=C3OCCOC3=C2)C2=CC=CC=C21)P(=O)(OCC)OCC


Input: 4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)pyridin-2-yl]-[[4-(5-methoxy-6-methylpyridin-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid

Output: COC1=CC=C(C23CCC(CN(C(=O)C4CCC(C(=O)O)CC4)C4=CC(C5=COC(C6CC6)=N5)=CC=N4)(CC2)CC3)N=C1C


Input: 1-[4-(3-methylbut-1-en-2-yl)phenyl]propan-1-one


Input: tert-butyl N-[3-[(5-decyl-1,3-benzoxazol-2-yl)amino]propyl]carbamate

Output: CCCCCCCCCCC1=CC=C2OC(NCCCNC(=O)OC(C)(C)C)=NC2=C1


Input: (3aR,6R,7aR)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one

Output: O=C1NC2COC(CO)CC2N1C1=NC2=C3CCOC3=CC=C2S1


Input: [(1'R,2S,5'R,7'S,11'R,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] benzoate

Output: CC(=O)OC1C2C(OC(=O)C3=CC=CC=C3)C(C)CC2(OC(C)=O)C(=O)C(C)=CC2C(CCC13CO3)C2(C)C


Input: (3S,3aR,4aR,8aR,9aR)-3,8a-dimethyl-5-methylidene-3,3a,4,4a,9,9a-hexahydrobenzo[f][1]benzofuran-2,6-dione


Input: 4-[2-[2-butyl-3-(hydroxymethyl)-2H-furan-5-id-5-yl]ethyl]-2-[2-hydroxy-2-(4-propan-2-ylpyrrol-2-ylium-2-yl)ethoxy]phenol

Output: CCCCC1O[C-](CCC2=CC=C(O)C(OCC(O)[C+]3C=C(C(C)C)C=N3)=C2)C=C1CO


Input: (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-6-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]hexanoic acid

Output: CC(=NCCCCC(C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21)C1=C(O)CC(C)(C)CC1=O


Input: (4E,7R,8S,9R,10E,12R)-16-(2,6-dioxopiperidin-4-yl)-7,9-dihydroxy-8,10,12-trimethyl-13-oxohexadeca-4,10-dienoic acid

Output: CC(=CC(C)C(=O)CCCC1CC(=O)NC(=O)C1)C(O)C(C)C(O)CC=CCCC(=O)O


Input: 1-[4-(8-but-3-enoxy-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methoxypyrimidin-2-yl]-N-ethylethanamine

Output: C=CCCOC1=NC(C2=NC(C(C)NCC)=NC=C2OC)=CN2N=CN=C12


Input: N-(cyclohexylmethyl)-N-[(4-ethenylcyclohepta-1,3,6-trien-1-yl)methyl]ethanamine


Output: CC1=CC2=C3B(C4=CC(C(C)(C)C)=CC=C4N2C2=CC=C(C(C)(C)C)C=C2C2=CC=CC=C2)C2=CC=C(N4C5=CC=CC=C5C5(C)CCCCC45C)C=C2N(C2=CC=CC4=C2SC2=CC=CC=C24)C3=C1


Input: 3-(2-phenylethenyl)-3a,7a-dihydro-1,2-benzoxazole


Input: [2-(2,4-dioxopyrimidin-1-yl)-5-(hydroxymethyl)-3-[6-[[2-(2-methylhexadecanoyloxy)acetyl]amino]hexoxy]-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium

Output: CCCCCCCCCCCCCCC(C)C(=O)OCC(=O)NCCCCCCOC1C(O[P+](=O)O)=C(CO)OC1N1C=CC(=O)NC1=O


Output: CC1=CC(N(C2=CC=C3C4=CC=CC=C4C(C)(C)C3=C2)C2=C(F)C(F)=C(C(F)(F)F)C(F)=C2F)CC=C1C1=CC=C(N(C2=CC=C3C4=CC=CC=C4C(C)(C)C3=C2)C2=C(F)C(F)=C(C(F)(F)F)C(F)=C2F)C=C1C


Input: 4-butoxy-5-butyl-N-ethyl-6-methylpyrimidin-2-amine


Input: (Z,3R,4R)-N,4-diethyl-6-hydroxy-3-methylhex-5-en-1-amine oxide

Output: CCC(C=CO)C(C)CC[NH+]([O-])CC


Input: tert-butyl 3-[C-(2-amino-3,3,3-trifluoroprop-1-enyl)-N-(4-bromophenyl)carbonimidoyl]oxyazetidine-1-carboxylate

Output: CC(C)(C)OC(=O)N1CC(OC(C=C(N)C(F)(F)F)=NC2=CC=C(Br)C=C2)C1


Input: N-ethyl-3-(2-ethylpyrimidin-5-yl)-1-[4-(3-fluoro-4-methylpyridin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

Output: CCNC1=CC2=C(C=N1)C(C1=CN=C(CC)N=C1)=NN2C1CCC(OC2=NC=CC(C)=C2F)CC1


Input: 3-aminopropyl [2-methyl-3-[(9-methyl-4-oxo-2,3-dihydro-1H-carbazol-3-yl)methyl]imidazol-1-ium-1-yl]methyl carbonate

Output: CC1=[N+](COC(=O)OCCCN)C=CN1CC1CCC2=C(C1=O)C1=CC=CC=C1N2C


Output: CC1=CC2=C(C=C1OCCCC(=O)NC1=CN(C)C(C(=O)NC3=CC=C(N)C=C3)=C1)CCC1CCCCN1C2=O;CC1=CC2=C(C=C1OCCCC(=O)NC1=CN(C)C(C(=O)NC3=CC=C(N)C=C3)=C1)N=CC1CCCCN1C2=O


Input: 3-(1-methylpyrazol-4-yl)-6-prop-1-en-2-yloxy-5,6-dihydroquinoline


Input: 3-[5-(3-chloro-5-fluorophenyl)pentanoyl]-5-methyl-1-phenylpyrrolidin-2-one

Output: CC1CC(C(=O)CCCCC2=CC(F)=CC(Cl)=C2)C(=O)N1C1=CC=CC=C1


Output: COC1OC2C(O1)C(C)(C1=CC=C3C(N)=NC=NN13)OC2(F)COP(=O)(NC(CC(=O)OCCC(C)C)C(=O)OCCC(C)C)OC1=CC=CC=C1


Input: 2-(8-methylnaphtho[1,2-b][1]benzothiol-9-yl)-4,6-di(phenanthren-2-yl)-1,3,5-triazine

Output: CC1=CC2=C(C=C1C1=NC(C3=CC=C4C(=C3)C=CC3=CC=CC=C34)=NC(C3=CC=C4C(=C3)C=CC3=CC=CC=C34)=N1)SC1=C3C=CC=CC3=CC=C21


Input: 2-amino-5-(1-amino-3-methyliminoprop-1-en-2-yl)-N-[(3R)-1-[6-(piperidin-4-ylamino)naphthalene-2-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide

Output: CN=CC(=CN)C1=CN=C(N)C(C(=O)NC2CCN(C(=O)C3=CC=C4C=C(NC5CCNCC5)C=CC4=C3)C2)=C1


Input: [(4E,8E,12E)-2-[[(12Z,15Z,18Z)-hexacosa-12,15,18-trienoyl]amino]-3-hydroxypentacosa-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate

Output: CCCCCCCC=CCC=CCC=CCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCC=CCCCCCCCCCCCC


Input: [3-hydroxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] octatriacontanoate

Output: CCCCCC=CCC=CCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC


Input: (4E,8E,12E)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]octadeca-4,8,12-triene-1-sulfonic acid

Output: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NC(CS(=O)(=O)O)C(O)C=CCCC=CCCC=CCCCCC


Output: CCC=CCC=CCC=CCC=CCC=CCC=CCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1OC(=O)CCCC=CCC=CCC=CCC=CCCCCC)C(O)C=CCCCCCCCCCCCCC


Input: [(E)-3-hydroxy-2-[[(16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-tetraconta-16,19,22,25,28,31,34,37-octaenoyl]amino]nonadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Output: CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCCC


Input: (2-henicosanoyloxy-3-undecanoyloxypropyl) (22Z,25Z,28Z)-hexatriaconta-22,25,28-trienoate

Output: CCCCCCCC=CCC=CCC=CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC


Input: [(Z)-3-[(11E,14E)-heptadeca-11,14-dienoyl]oxy-2-[[(E)-tetracos-15-enoyl]amino]hexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Output: CCC=CCC=CCCCCCCCCCC(=O)OC(C=CCCCCCCCCCCC)C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC


Input: [3-[(13Z,16Z)-docosa-13,16-dienoxy]-2-[(Z)-hexadec-9-enoyl]oxypropyl] icosanoate

Output: CCCCCC=CCC=CCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC


Input: 2-[[(Z)-3-[(E)-hexacos-17-enoyl]oxy-2-[[(4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoyl]amino]octadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Output: CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC=CCCCCCCCC


Input: 2-[hydroxy-[(Z)-2-[[(10E,13E,16E)-nonadeca-10,13,16-trienoyl]amino]-3-triacontanoyloxyoctadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium

Output: CCC=CCC=CCC=CCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC


Input: 7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole


Input: 1-methyl-5-[3-(1-methyltetrazol-5-yl)propyl]tetrazole


Input: N,N-dimethyl-1-[4-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]phenyl]methanamine

Output: CN(C)CC1=CC=C(OCCC[Si]23OCCN(CCO2)CCO3)C=C1