id
int64
0
300k
molecules
dict
ground_truth
stringlengths
7
2.47k
messages
listlengths
3
3
297,451
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][Ring2][N][C][C][=C][Branch2][Ring1][C][C][N][C][C][=N][N][Branch1][#Branch1][C][C][N][C][Ring1][Ring2][N][=Ring1][=Branch2][C][=C][C][=C][Ring1][P][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][N]", "smiles": "O=C1CCC(N2Cc3c(CNc4cnn(C5CNC5)n4)cccc3C2=O)C(=O)N1" }
3-[7-[[[2-(azetidin-3-yl)triazol-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "3-[7-[[[2-(azetidin-3-yl)triazol-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,452
{ "selfies": "[C][C][Branch1][C][C][C][C][N][Branch2][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O][C][C][Ring2][Ring1][#Branch2][N]", "smiles": "CC1(C)CCN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1N" }
3-[7-[(3-amino-4,4-dimethylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "3-[7-[(3-amino-4,4-dimethylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,453
{ "selfies": "[C][C][Branch1][C][N][C][C][C][C][N][Branch2][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][C][Ring2][Ring1][=Branch2]", "smiles": "CC(N)C1CCCN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3)C1" }
3-[4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "3-[4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,454
{ "selfies": "[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][=C][Ring1][S]", "smiles": "COC(=O)Cc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1" }
methyl 2-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "methyl 2-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate", "role": "assistant" } ]
297,455
{ "selfies": "[N][S][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]", "smiles": "NS(=O)c1cncc(Br)c1" }
5-bromopyridine-3-sulfinamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "5-bromopyridine-3-sulfinamide", "role": "assistant" } ]
297,456
{ "selfies": "[N][C][C][N][Branch2][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][C][C][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]", "smiles": "NC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1c1ccccc1" }
4-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "4-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione", "role": "assistant" } ]
297,457
{ "selfies": "[C][C][Branch1][C][N][C][Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C]", "smiles": "CC(N)C(C)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2" }
3-[4-[(3-aminobutan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "3-[4-[(3-aminobutan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,458
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][#Branch1][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][C][N][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Branch2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][S]", "smiles": "O=C1CCC(N2Cc3ccc(CNCc4ccncc4OC4CCNC4)cc3C2=O)C(=O)N1" }
3-[3-oxo-5-[[[3-[(3S)-pyrrolidin-3-yl]oxypyridin-4-yl]methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "3-[3-oxo-5-[[[3-[(3S)-pyrrolidin-3-yl]oxypyridin-4-yl]methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,459
{ "selfies": "[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][=N][C][Branch1][C][C][C]", "smiles": "COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(S(=O)(=O)O)cc1C(C)C" }
4-(2-ditert-butylphosphanyl-3,6-dimethoxyphenyl)-3,5-di(propan-2-yl)benzenesulfonic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "4-(2-ditert-butylphosphanyl-3,6-dimethoxyphenyl)-3,5-di(propan-2-yl)benzenesulfonic acid", "role": "assistant" } ]
297,460
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][=Branch1][N][C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][C][N][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O][C][=Branch1][C][=O][N][Ring2][Ring1][=N]", "smiles": "O=C1CCC(N2Cc3c(CN4CCC5NCC(=O)NC5C4)cccc3C2=O)C(=O)N1" }
3-[7-[[(4aR,8aS)-3-oxo-1,2,4,4a,5,7,8,8a-octahydropyrido[3,4-b]pyrazin-6-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "3-[7-[[(4aR,8aS)-3-oxo-1,2,4,4a,5,7,8,8a-octahydropyrido[3,4-b]pyrazin-6-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,461
{ "selfies": "[O][=C][C][C][C][Branch2][Ring1][P][N][C][C][=C][C][=C][C][Branch1][S][C][N][C][C][C][O][C][C][Ring1][=Branch1][C][N][C][Ring1][=Branch2][=C][Ring1][P][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][N]", "smiles": "O=C1CCC(N2Cc3cccc(CNC45CCOCC4CNC5)c3C2=O)C(=O)N1" }
3-[4-[(2,3,3a,4,6,7-hexahydro-1H-pyrano[3,4-c]pyrrol-7a-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "3-[4-[(2,3,3a,4,6,7-hexahydro-1H-pyrano[3,4-c]pyrrol-7a-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,463
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][N][C][C][C][N][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][C][=C][Ring1][S][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][N]", "smiles": "O=C1CCC(N2C(=O)c3ccc(CN4CCC5NCCC5C4)cc3C2=O)C(=O)N1" }
5-[[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "5-[[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione", "role": "assistant" } ]
297,464
{ "selfies": "[C][C][=C][C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][=C][Branch1][C][C][C][=C][Ring1][S][O][Si][Branch1][C][C][Branch1][C][C][C]", "smiles": "Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1O[Si](C)(C)C" }
[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane", "role": "assistant" } ]
297,465
{ "selfies": "[C][N][Branch2][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][C][C][C][C][C][C][Ring1][=Branch1][N]", "smiles": "CN(Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCCCC1N" }
4-[[[(1R,2S)-2-aminocyclohexyl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "4-[[[(1R,2S)-2-aminocyclohexyl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione", "role": "assistant" } ]
297,466
{ "selfies": "[C][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2]", "smiles": "Cc1ncsc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(O)C(C)(C)C)cc1" }
(2S,4R)-4-hydroxy-1-[(2S)-2-hydroxy-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "(2S,4R)-4-hydroxy-1-[(2S)-2-hydroxy-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide", "role": "assistant" } ]
297,467
{ "selfies": "[C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Ring1][C][N][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][#C][=O]", "smiles": "CC(C)C(C)(CN)NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O" }
5-[[(1-amino-2,3-dimethylbutan-2-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "5-[[(1-amino-2,3-dimethylbutan-2-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione", "role": "assistant" } ]
297,468
{ "selfies": "[O][=C][Branch1][C][O][C][N][=C][O][C][=Ring1][Branch1][C][Branch1][C][F][F]", "smiles": "O=C(O)c1ncoc1C(F)F" }
5-(difluoromethyl)-1,3-oxazole-4-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "5-(difluoromethyl)-1,3-oxazole-4-carboxylic acid", "role": "assistant" } ]
297,469
{ "selfies": "[C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][=C][Ring1][Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]", "smiles": "CC(=O)c1cc(Br)c(F)cc1O[Si](C)(C)C(C)(C)C" }
1-[5-bromo-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]ethanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "1-[5-bromo-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]ethanone", "role": "assistant" } ]
297,470
{ "selfies": "[C][N][C][Branch1][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O]", "smiles": "CNC(C)CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O" }
2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)propylamino]methyl]isoindole-1,3-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)propylamino]methyl]isoindole-1,3-dione", "role": "assistant" } ]
297,471
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][Ring2][N][C][C][=C][Branch2][Ring1][C][C][N][C][C][C][C][C][Branch1][=Branch1][C][N][C][Ring1][Ring2][O][Ring1][Branch2][C][=C][C][=C][Ring1][P][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][N]", "smiles": "O=C1CCC(N2Cc3c(CNCC4CCC5(CNC5)O4)cccc3C2=O)C(=O)N1" }
3-[7-[(5-oxa-2-azaspiro[3.4]octan-6-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "3-[7-[(5-oxa-2-azaspiro[3.4]octan-6-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,472
{ "selfies": "[C][C][Branch1][C][C][Branch2][Ring2][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][#C][C][C][C][N][C][Ring1][Branch1]", "smiles": "CC(C)(NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)C1CCNC1" }
3-[3-oxo-5-[(2-pyrrolidin-3-ylpropan-2-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "3-[3-oxo-5-[(2-pyrrolidin-3-ylpropan-2-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,473
{ "selfies": "[N][C][C][N][Branch2][Ring1][S][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring2][Ring1][N]", "smiles": "NC1CN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C2(CCOC2)C1" }
3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,474
{ "selfies": "[N][#C][C][=C][NH1][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][N][Ring1][=Branch2]", "smiles": "N#Cc1c[nH]c2nc(C(=O)O)ccc12" }
3-cyano-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "3-cyano-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid", "role": "assistant" } ]
297,475
{ "selfies": "[C][C][Branch1][C][C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][#C][=O]", "smiles": "CC1(C)C(N)c2ccccc2N1Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O" }
5-[(3-amino-2,2-dimethyl-3H-indol-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "5-[(3-amino-2,2-dimethyl-3H-indol-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione", "role": "assistant" } ]
297,476
{ "selfies": "[C][N][C][C][C][C][C][Branch2][Ring2][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][#C][C][Ring2][Ring1][#Branch2]", "smiles": "CNC1CCCC(NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1" }
3-[5-[[[3-(methylamino)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "3-[5-[[[3-(methylamino)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,477
{ "selfies": "[N][C][C][C][C][C][N][C][C][N][Branch2][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O][C][C][Ring2][Ring1][=Branch2]", "smiles": "NCCCCCN1CCN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1" }
3-[7-[[4-(5-aminopentyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "3-[7-[[4-(5-aminopentyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,478
{ "selfies": "[C][=C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=O]", "smiles": "C=CCOC(=O)Nc1ccc(C(=O)O)cc1C=O" }
3-formyl-4-(prop-2-enoxycarbonylamino)benzoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "3-formyl-4-(prop-2-enoxycarbonylamino)benzoic acid", "role": "assistant" } ]
297,479
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][C][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]", "smiles": "CC(C)(C)OC(=O)N(N)Cc1nc2ccccc2s1" }
tert-butyl N-amino-N-(1,3-benzothiazol-2-ylmethyl)carbamate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "tert-butyl N-amino-N-(1,3-benzothiazol-2-ylmethyl)carbamate", "role": "assistant" } ]
297,480
{ "selfies": "[C][C][Branch1][C][N][C][N][Branch2][Ring1][S][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][C][Ring2][Ring1][Branch2]", "smiles": "CC1(N)CN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1" }
3-[6-[(3-amino-3-methylazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "3-[6-[(3-amino-3-methylazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,481
{ "selfies": "[N][C][C][Branch2][Ring1][P][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1]", "smiles": "NCC(NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2)C1CCCCC1" }
3-[4-[[(2-amino-1-cyclohexylethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "3-[4-[[(2-amino-1-cyclohexylethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,482
{ "selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=C]", "smiles": "COC(=O)c1ccc(O[Si](C)(C)C)c(C(N)=O)c1" }
methyl 3-carbamoyl-4-trimethylsilyloxybenzoate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "methyl 3-carbamoyl-4-trimethylsilyloxybenzoate", "role": "assistant" } ]
297,483
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][N][C][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O][C][=Branch1][C][=O][N][Ring2][Ring1][=N]", "smiles": "O=C1CCC(N2Cc3ccc(CN4CCCCC4C4CCNC4)cc3C2=O)C(=O)N1" }
3-[3-oxo-5-[(2-pyrrolidin-3-ylpiperidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "3-[3-oxo-5-[(2-pyrrolidin-3-ylpiperidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,484
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][O]", "smiles": "CC(C)(C)OC(=O)N1CC(O)(c2ccccc2)CC1C(=O)O" }
(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid", "role": "assistant" } ]
297,485
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][Ring2][N][C][C][=C][C][Branch2][Ring1][C][C][N][C][=N][C][Branch1][#Branch1][C][C][N][C][Ring1][Ring2][=C][O][Ring1][=Branch2][=C][C][=C][Ring1][P][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][N]", "smiles": "O=C1CCC(N2Cc3cc(CNc4nc(C5CNC5)co4)ccc3C2=O)C(=O)N1" }
3-[6-[[[4-(azetidin-3-yl)-1,3-oxazol-2-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "3-[6-[[[4-(azetidin-3-yl)-1,3-oxazol-2-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,486
{ "selfies": "[C][Si][Branch1][C][C][Branch1][C][C][O][C][=C][Branch1][C][I][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][I]", "smiles": "C[Si](C)(C)Oc1c(I)cc(Cl)cc1I" }
(4-chloro-2,6-diiodophenoxy)-trimethylsilane
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "(4-chloro-2,6-diiodophenoxy)-trimethylsilane", "role": "assistant" } ]
297,487
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][N][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][N][Ring2][Ring1][#C]", "smiles": "O=C1CCC(N2C(=O)c3ccc(CNc4ccnn4C4CCCNC4)cc3C2=O)C(=O)N1" }
2-(2,6-dioxopiperidin-3-yl)-5-[[(2-piperidin-3-ylpyrazol-3-yl)amino]methyl]isoindole-1,3-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "2-(2,6-dioxopiperidin-3-yl)-5-[[(2-piperidin-3-ylpyrazol-3-yl)amino]methyl]isoindole-1,3-dione", "role": "assistant" } ]
297,488
{ "selfies": "[N][C][C][O][C][C][Ring1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O]", "smiles": "NC1COCC1CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O" }
4-[[[(3R,4S)-4-aminooxolan-3-yl]methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "4-[[[(3R,4S)-4-aminooxolan-3-yl]methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione", "role": "assistant" } ]
297,489
{ "selfies": "[C][=C][Branch2][Ring1][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]", "smiles": "C=C(CC(C)NC(=O)OCc1ccccc1)C(=O)O" }
(4S)-2-methylidene-4-(phenylmethoxycarbonylamino)pentanoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "(4S)-2-methylidene-4-(phenylmethoxycarbonylamino)pentanoic acid", "role": "assistant" } ]
297,490
{ "selfies": "[C][C][Branch1][Ring2][C][C][N][C][C][N][Branch2][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O][C][Ring2][Ring1][O]", "smiles": "CC1(CCN)CCN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1" }
3-[7-[[3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "3-[7-[[3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,491
{ "selfies": "[O][=C][C][C][C][Branch2][Ring1][#C][N][C][C][=C][C][=C][C][Branch1][=C][C][N][C][C][C][N][C][C][C][Ring1][=Branch1][Ring1][Ring1][=C][Ring1][#C][C][Ring2][Ring1][C][=O][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2]", "smiles": "O=C1CCC(N2Cc3cccc(CNCC4CNC5CC45)c3C2=O)C(=O)N1" }
3-[4-[(2-azabicyclo[3.1.0]hexan-4-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "3-[4-[(2-azabicyclo[3.1.0]hexan-4-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,492
{ "selfies": "[N][C][C][C][Branch1][C][O][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][#C]", "smiles": "NCCC(O)CNCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2" }
3-[5-[[(4-amino-2-hydroxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "3-[5-[[(4-amino-2-hydroxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,493
{ "selfies": "[N][C][C][O][C][C][Ring1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O]", "smiles": "NC1COCC1CNCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O" }
3-[7-[[[(3S,4S)-4-aminooxolan-3-yl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "3-[7-[[[(3S,4S)-4-aminooxolan-3-yl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,494
{ "selfies": "[C][C][C][N][C][C][Ring1][Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O]", "smiles": "CC1CNCC1NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O" }
3-[6-[[[(3R,4S)-4-methylpyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "3-[6-[[[(3R,4S)-4-methylpyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,495
{ "selfies": "[O][=C][C][C][C][Branch2][Ring2][C][N][C][C][=C][C][=C][Branch1][P][C][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][N][C][Ring1][#Branch1][C][=C][Ring1][S][C][Ring2][Ring1][Ring1][=O][C][=Branch1][C][=O][N][Ring2][Ring1][O]", "smiles": "O=C1CCC(N2Cc3ccc(CNCC45CCC(C4)NC5)cc3C2=O)C(=O)N1" }
3-[5-[(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "3-[5-[(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione", "role": "assistant" } ]
297,496
{ "selfies": "[C][Si][Branch1][C][C][Branch1][C][C][O][C][=C][Branch1][C][F][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][=Branch2][F]", "smiles": "C[Si](C)(C)Oc1c(F)cc(C=O)cc1F" }
3,5-difluoro-4-trimethylsilyloxybenzaldehyde
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "3,5-difluoro-4-trimethylsilyloxybenzaldehyde", "role": "assistant" } ]
297,497
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "smiles": "CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)O)cc1S(=O)(=O)Cl" }
4-[tert-butyl(dimethyl)silyl]oxy-3-chlorosulfonylbenzoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "4-[tert-butyl(dimethyl)silyl]oxy-3-chlorosulfonylbenzoic acid", "role": "assistant" } ]
297,498
{ "selfies": "[C][=C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N]", "smiles": "C=CCOC(=O)NCc1ccc(CC(C)(C)C(=O)O)cc1" }
2,2-dimethyl-3-[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]propanoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "2,2-dimethyl-3-[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]propanoic acid", "role": "assistant" } ]
297,499
{ "selfies": "[C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][N][C][C][Ring1][Branch1][Ring1][=Branch2]", "smiles": "CCOC(=O)CC1CCCC2CNCC21" }
ethyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)acetate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "ethyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)acetate", "role": "assistant" } ]
297,501
{ "selfies": "[C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=C][S][Ring1][O]", "smiles": "CCn1cnnc1C1CC1C(=O)Nc1nc(C2CCOCC2)cs1" }
2-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "2-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide", "role": "assistant" } ]
297,502
{ "selfies": "[C][C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][C][Ring1][#Branch1][C][C][N][Ring1][S][C][=N][C][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1]", "smiles": "CC1CN(Cc2cc3c(s2)CCNC3)CCN1c1nccn2cnnc12" }
2-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "2-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine", "role": "assistant" } ]
297,503
{ "selfies": "[C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1]", "smiles": "Cc1cc(C(=O)O)cc(C(=O)NCC2COc3ccccc3O2)c1" }
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-5-methylbenzoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-5-methylbenzoic acid", "role": "assistant" } ]
297,504
{ "selfies": "[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=N][S][Ring2][Ring1][Ring2]", "smiles": "O=C(O)c1ccc(C(=O)N2CCC(c3ccc(F)c(F)c3)C2)s1" }
5-[3-(3,4-difluorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "5-[3-(3,4-difluorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid", "role": "assistant" } ]
297,505
{ "selfies": "[O][=C][Branch1][C][O][C][=C][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][=Branch2][=N][Ring1][P]", "smiles": "O=C(O)c1ccnc(NCc2ccc3cc[nH]c3n2)n1" }
2-(1H-pyrrolo[2,3-b]pyridin-6-ylmethylamino)pyrimidine-4-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "2-(1H-pyrrolo[2,3-b]pyridin-6-ylmethylamino)pyrimidine-4-carboxylic acid", "role": "assistant" } ]
297,506
{ "selfies": "[C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch2][=Ring1][#Branch1][=C][Ring2][Ring1][Ring1]", "smiles": "CNC(=O)CNC(=O)c1cccc(NC(=O)c2c[nH]c3nc[nH]c(=O)c23)c1" }
N-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "N-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide", "role": "assistant" } ]
297,507
{ "selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][C][C][Branch1][C][C][C]", "smiles": "COc1ccc(C(=O)Nc2cccc(F)c2OC)cc1C(C)C" }
N-(3-fluoro-2-methoxyphenyl)-4-methoxy-3-propan-2-ylbenzamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "N-(3-fluoro-2-methoxyphenyl)-4-methoxy-3-propan-2-ylbenzamide", "role": "assistant" } ]
297,508
{ "selfies": "[C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][N][C][Ring2][Ring1][Ring1][C][=C][C][=C][O][Ring1][Branch1]", "smiles": "CC1(C)CN(C(=O)c2ccc(Cc3nn[nH]n3)cc2)C1c1ccco1" }
[2-(furan-2-yl)-3,3-dimethylazetidin-1-yl]-[4-(2H-tetrazol-5-ylmethyl)phenyl]methanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "[2-(furan-2-yl)-3,3-dimethylazetidin-1-yl]-[4-(2H-tetrazol-5-ylmethyl)phenyl]methanone", "role": "assistant" } ]
297,509
{ "selfies": "[C][N][C][=C][Branch2][Ring2][Ring1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][C][C][Ring1][P][Branch1][C][C][C][C][=N][Ring2][Ring1][Branch2]", "smiles": "Cn1cc(C2CN(C(=O)Cn3cc(Br)cc(Cl)c3=O)CC2(C)C)cn1" }
5-bromo-3-chloro-1-[2-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "5-bromo-3-chloro-1-[2-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one", "role": "assistant" } ]
297,510
{ "selfies": "[O][=C][NH1][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][S][Ring1][#Branch1]", "smiles": "O=c1[nH]c(-c2cn[nH]c2)nc2cccc(F)c12" }
5-fluoro-2-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "5-fluoro-2-(1H-pyrazol-4-yl)-3H-quinazolin-4-one", "role": "assistant" } ]
297,511
{ "selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][=C][Ring1][P][Br]", "smiles": "COC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2)ccc1Br" }
methyl 2-bromo-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "methyl 2-bromo-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoate", "role": "assistant" } ]
297,512
{ "selfies": "[C][C][N][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][S][Ring1][Branch2][O][C][=Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "smiles": "Cc1nc(CCC(=O)NCc2nc(C(N)=O)cs2)oc1-c1ccc(Br)cc1" }
2-[[3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]propanoylamino]methyl]-1,3-thiazole-4-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .", "role": "user" }, { "content": "2-[[3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]propanoylamino]methyl]-1,3-thiazole-4-carboxamide", "role": "assistant" } ]
297,513
{ "selfies": "[N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring1][Branch1]", "smiles": "Nc1ccc(C(=O)OCc2ccn(C3CCCC3)n2)c(F)c1" }
(1-cyclopentylpyrazol-3-yl)methyl 4-amino-2-fluorobenzoate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "(1-cyclopentylpyrazol-3-yl)methyl 4-amino-2-fluorobenzoate", "role": "assistant" } ]
297,514
{ "selfies": "[O][=C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][NH1][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1]", "smiles": "O=C1CCOc2ccc(S(=O)(=O)Nc3cccc4n[nH]nc34)cc21" }
N-(2H-benzotriazol-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .", "role": "user" }, { "content": "N-(2H-benzotriazol-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide", "role": "assistant" } ]
297,515
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][=Branch1][=Branch2][O][C][C][=C][N][Branch2][Branch1][N][C][C][C][C][N][Branch2][Ring2][S][C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][Ring1][=C][Branch1][C][C][C][=N][O][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=C][N][=N][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][O]", "smiles": "CC(C)(C)c1ccc(OCc2cn(C3CCCN(Cc4cc(C(=O)N5CCC(c6cc(F)c(F)c(F)c6)C5(C)C)no4)C3)nn2)cc1" }
[5-[[3-[4-[(4-tert-butylphenoxy)methyl]triazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazol-3-yl]-[2,2-dimethyl-3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]methanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "[5-[[3-[4-[(4-tert-butylphenoxy)methyl]triazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazol-3-yl]-[2,2-dimethyl-3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]methanone", "role": "assistant" } ]
297,516
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Branch1][C][Cl][=N][Ring2][Ring1][Branch1]", "smiles": "CC(C)(C)c1ccc(C(=O)NCc2ccc3c(c2)CC(=O)N3)c(Cl)n1" }
6-tert-butyl-2-chloro-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]pyridine-3-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "6-tert-butyl-2-chloro-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]pyridine-3-carboxamide", "role": "assistant" } ]
297,517
{ "selfies": "[O][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=O][C][C][O][Ring2][Ring1][Ring2]", "smiles": "O=C(Cn1cccn1)NCC1CN(C(=O)C2CCCCC2N2CCCC2=O)CCO1" }
N-[[4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]morpholin-2-yl]methyl]-2-pyrazol-1-ylacetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "N-[[4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]morpholin-2-yl]methyl]-2-pyrazol-1-ylacetamide", "role": "assistant" } ]
297,518
{ "selfies": "[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O]", "smiles": "COc1ccc(Cl)cc1S(=O)(=O)NC1CC(CO)C(O)C1O" }
5-chloro-N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "5-chloro-N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide", "role": "assistant" } ]
297,519
{ "selfies": "[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][Branch1][C][N][=N][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][=C][Ring2][Ring1][#Branch1]", "smiles": "Cc1cccc(NC(N)=NCc2cccc(-c3cccnc3)c2)c1" }
1-(3-methylphenyl)-2-[(3-pyridin-3-ylphenyl)methyl]guanidine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "1-(3-methylphenyl)-2-[(3-pyridin-3-ylphenyl)methyl]guanidine", "role": "assistant" } ]
297,520
{ "selfies": "[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=N][C][=C][Branch1][C][Br][C][=C][C][=N][C][=C][Ring1][O][Ring1][=Branch1][C][Ring1][P]", "smiles": "Fc1cccc2c1CCN(c1ncc(Br)c3ccncc13)C2" }
4-bromo-1-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,7-naphthyridine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "4-bromo-1-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,7-naphthyridine", "role": "assistant" } ]
297,521
{ "selfies": "[C][=C][C][=C][Branch2][Ring1][O][O][C][=C][C][=N][C][Branch1][S][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2]", "smiles": "c1ccc(Oc2ccnc(NC3CCC4CCCCC4C3)n2)cc1" }
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-phenoxypyrimidin-2-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-phenoxypyrimidin-2-amine", "role": "assistant" } ]
297,522
{ "selfies": "[C][C][S][N][=C][C][=Ring1][Branch1][C][N][C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O]", "smiles": "Cc1sncc1CNC(Cc1ccsc1)C(=O)O" }
2-[(5-methyl-1,2-thiazol-4-yl)methylamino]-3-thiophen-3-ylpropanoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "2-[(5-methyl-1,2-thiazol-4-yl)methylamino]-3-thiophen-3-ylpropanoic acid", "role": "assistant" } ]
297,523
{ "selfies": "[O][=C][Branch1][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][Branch1][C][Br][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][#C]", "smiles": "O=C(O)C1CN(C(=O)c2c(Br)noc2C2CC2)C1" }
1-(3-bromo-5-cyclopropyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "1-(3-bromo-5-cyclopropyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxylic acid", "role": "assistant" } ]
297,524
{ "selfies": "[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]", "smiles": "COc1ncccc1COc1cnc2ncccc2c1" }
3-[(2-methoxypyridin-3-yl)methoxy]-1,8-naphthyridine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "3-[(2-methoxypyridin-3-yl)methoxy]-1,8-naphthyridine", "role": "assistant" } ]
297,525
{ "selfies": "[C][C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=N][Ring1][=Branch2][C][Ring1][=C][Branch1][C][C][C][C][O][Ring2][Ring1][Branch2]", "smiles": "CC1CC(C(=O)NC2CC(Nc3ncc(C(F)F)cn3)C2(C)C)CO1" }
N-[3-[[5-(difluoromethyl)pyrimidin-2-yl]amino]-2,2-dimethylcyclobutyl]-5-methyloxolane-3-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "N-[3-[[5-(difluoromethyl)pyrimidin-2-yl]amino]-2,2-dimethylcyclobutyl]-5-methyloxolane-3-carboxamide", "role": "assistant" } ]
297,526
{ "selfies": "[O][=C][Branch2][Ring2][Branch1][N][C][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][C][Ring2][Ring1][Ring1][C][C][C][C][C][NH1][N][=C][C][=Ring1][Branch1][Ring1][=Branch2]", "smiles": "O=C(NCCC1CCCN(C(=O)c2cncc(-n3ccnn3)c2)C1)C1CCCc2[nH]ncc21" }
N-[2-[1-[5-(triazol-1-yl)pyridine-3-carbonyl]piperidin-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "N-[2-[1-[5-(triazol-1-yl)pyridine-3-carbonyl]piperidin-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide", "role": "assistant" } ]
297,527
{ "selfies": "[N][#C][C][=C][C][=C][Branch1][S][C][C][N][C][=C][Branch1][C][F][C][=N][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P]", "smiles": "N#Cc1ccc(CCNc2c(F)cncc2F)cc1" }
4-[2-[(3,5-difluoropyridin-4-yl)amino]ethyl]benzonitrile
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "4-[2-[(3,5-difluoropyridin-4-yl)amino]ethyl]benzonitrile", "role": "assistant" } ]
297,528
{ "selfies": "[C][C][C][=C][Branch1][C][C][N][N][=C][C][Branch2][Ring1][#Branch1][C][=N][O][C][Branch1][=C][C][C][C][N][C][Ring1][Branch1][C][C][O][C][Ring1][=Branch2][=N][Ring1][=C][=C][Ring2][Ring1][Ring1][N][=Ring2][Ring1][Branch2]", "smiles": "Cc1cc(C)n2ncc(-c3noc(C45CCNC4CCOC5)n3)c2n1" }
(3aR,7aS)-3a-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[4,3-b]pyrrole
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "(3aR,7aS)-3a-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[4,3-b]pyrrole", "role": "assistant" } ]
297,529
{ "selfies": "[C][C][Branch1][C][C][C][=N][NH1][C][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][=N][Ring2][Ring1][Branch1]", "smiles": "CC(C)c1n[nH]c(Cn2cc(CCC(=O)c3ccccc3)nn2)n1" }
1-phenyl-3-[1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazol-4-yl]propan-1-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "1-phenyl-3-[1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazol-4-yl]propan-1-one", "role": "assistant" } ]
297,530
{ "selfies": "[C][C][C][=C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch2][S][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][N][=C][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2]", "smiles": "Cc1ccn2cc(C(=O)Oc3ccc(Sc4ccncc4)cc3)nc2c1" }
(4-pyridin-4-ylsulfanylphenyl) 7-methylimidazo[1,2-a]pyridine-2-carboxylate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "(4-pyridin-4-ylsulfanylphenyl) 7-methylimidazo[1,2-a]pyridine-2-carboxylate", "role": "assistant" } ]
297,531
{ "selfies": "[O][=C][Branch1][C][O][C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][C][=N][Ring1][=N][=C][Ring2][Ring1][=Branch1]", "smiles": "O=C(O)Cc1cccc(NC(=O)c2cc(N3CCC(O)CC3)ccn2)c1" }
2-[3-[[4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonyl]amino]phenyl]acetic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "2-[3-[[4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonyl]amino]phenyl]acetic acid", "role": "assistant" } ]
297,532
{ "selfies": "[C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]", "smiles": "Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NC1CN(C)Cc2ccccc21" }
N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N'-(2-methyl-5-morpholin-4-ylphenyl)oxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N'-(2-methyl-5-morpholin-4-ylphenyl)oxamide", "role": "assistant" } ]
297,533
{ "selfies": "[C][=C][C][=Branch1][C][=O][N][C][C][O][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O]", "smiles": "C=CC(=O)NC1COCc2cc(Br)ccc21" }
N-[(4R)-7-bromo-3,4-dihydro-1H-isochromen-4-yl]prop-2-enamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "N-[(4R)-7-bromo-3,4-dihydro-1H-isochromen-4-yl]prop-2-enamide", "role": "assistant" } ]
297,535
{ "selfies": "[C][S][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][Ring1][#C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]", "smiles": "CSc1ccc2ncnc(N3CCC4(CCc5ccccc5C4)CC3)c2c1" }
1'-(6-methylsulfanylquinazolin-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "1'-(6-methylsulfanylquinazolin-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]", "role": "assistant" } ]
297,536
{ "selfies": "[C][C][Branch1][C][O][C][N][N][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][=C][Ring1][#Branch2][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1]", "smiles": "CC(O)Cn1nc(-c2ccsc2)nc1C1CCC(=O)NC1" }
5-[2-(2-hydroxypropyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]piperidin-2-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "5-[2-(2-hydroxypropyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]piperidin-2-one", "role": "assistant" } ]
297,537
{ "selfies": "[C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][C][C][=C][C][=N][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][O][C][C][C][N][C][C][Ring1][=Branch1]", "smiles": "Cc1cc(Cl)cc(-c2ccnn2CCc2ccccc2)c1OC1CCNCC1" }
4-[4-chloro-2-methyl-6-[2-(2-phenylethyl)pyrazol-3-yl]phenoxy]piperidine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "4-[4-chloro-2-methyl-6-[2-(2-phenylethyl)pyrazol-3-yl]phenoxy]piperidine", "role": "assistant" } ]
297,538
{ "selfies": "[C][C][=C][C][=C][S][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][S][Ring1][=Branch2][=N][C][Ring1][=C][=C][Ring2][Ring1][C]", "smiles": "Cc1ccc2sc(-c3cc(S(C)(=O)=O)cs3)nc2c1" }
5-methyl-2-(4-methylsulfonylthiophen-2-yl)-1,3-benzothiazole
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "5-methyl-2-(4-methylsulfonylthiophen-2-yl)-1,3-benzothiazole", "role": "assistant" } ]
297,539
{ "selfies": "[C][N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C][C][C][C][Ring1][Ring2]", "smiles": "Cn1ccc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C1CCC1" }
2-cyclobutyl-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-methylpyrrole-3-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "2-cyclobutyl-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-methylpyrrole-3-carboxamide", "role": "assistant" } ]
297,540
{ "selfies": "[C][O][C][C][C][N][Branch2][Ring2][#Branch2][C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C][C][C][C][C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][#C]", "smiles": "COC1CCN(C2(CNC(=O)Nc3cccc(C(=O)NCc4cccs4)c3)CCCC2)CC1" }
3-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "3-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide", "role": "assistant" } ]
297,541
{ "selfies": "[C][C][C][=C][NH1][C][=N][C][=N][C][Branch1][#C][N][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][=C][Ring1][P][Ring1][=C]", "smiles": "CCc1c[nH]c2ncnc(N3CC4(CCCC4)C3)c12" }
4-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "4-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine", "role": "assistant" } ]
297,542
{ "selfies": "[C][#C][C][C][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][Ring1][#Branch1][N][=N][Ring2][Ring1][C]", "smiles": "C#CCCC1(CCC(=O)Nc2cnc3c(c2)CNCC3)N=N1" }
3-(3-but-3-ynyldiazirin-3-yl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)propanamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .", "role": "user" }, { "content": "3-(3-but-3-ynyldiazirin-3-yl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)propanamide", "role": "assistant" } ]
297,543
{ "selfies": "[O][=C][Branch1][P][C][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=N][Ring1][=N][C][Ring2][Ring1][Ring1]", "smiles": "O=C(c1coc2ccc(Br)cc12)N1CCCC(n2cc(-c3c(F)cccc3F)nn2)C1" }
(5-bromo-1-benzofuran-3-yl)-[3-[4-(2,6-difluorophenyl)triazol-1-yl]piperidin-1-yl]methanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "(5-bromo-1-benzofuran-3-yl)-[3-[4-(2,6-difluorophenyl)triazol-1-yl]piperidin-1-yl]methanone", "role": "assistant" } ]
297,544
{ "selfies": "[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][N][=N][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1]", "smiles": "Cc1cc(C)c(C(C)n2cc(CN3CCCC3=O)nn2)c(C)c1" }
1-[[1-[1-(2,4,6-trimethylphenyl)ethyl]triazol-4-yl]methyl]pyrrolidin-2-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "1-[[1-[1-(2,4,6-trimethylphenyl)ethyl]triazol-4-yl]methyl]pyrrolidin-2-one", "role": "assistant" } ]
297,545
{ "selfies": "[O][=S][=Branch2][Ring1][=Branch2][=N][C][C][N][C][=C][C][=N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][C][C][C][C][Ring2][Ring1][#Branch1]", "smiles": "O=S1(=NCCNc2ccnc(CCc3ccccc3)n2)CCCC1" }
N-[2-[(1-oxothiolan-1-ylidene)amino]ethyl]-2-(2-phenylethyl)pyrimidin-4-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "N-[2-[(1-oxothiolan-1-ylidene)amino]ethyl]-2-(2-phenylethyl)pyrimidin-4-amine", "role": "assistant" } ]
297,546
{ "selfies": "[C][C][C][C][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][C][Ring2][Ring1][Branch1]", "smiles": "CC1CC(C)C1C(=O)N1CCCN(C(=O)c2ccc(-n3cncn3)cc2)CCC1" }
(2,4-dimethylcyclobutyl)-[5-[4-(1,2,4-triazol-1-yl)benzoyl]-1,5-diazocan-1-yl]methanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "(2,4-dimethylcyclobutyl)-[5-[4-(1,2,4-triazol-1-yl)benzoyl]-1,5-diazocan-1-yl]methanone", "role": "assistant" } ]
297,547
{ "selfies": "[O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=N][Ring1][O]", "smiles": "O=C(NCc1ccc2c(c1)CNC2)c1ccc2cc(F)ccc2n1" }
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide", "role": "assistant" } ]
297,548
{ "selfies": "[N][#C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch1]", "smiles": "N#CC1CCN(C(=O)NC(C(=O)O)c2ccc(F)c(Cl)c2)CC1" }
2-(3-chloro-4-fluorophenyl)-2-[(4-cyanopiperidine-1-carbonyl)amino]acetic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "2-(3-chloro-4-fluorophenyl)-2-[(4-cyanopiperidine-1-carbonyl)amino]acetic acid", "role": "assistant" } ]
297,549
{ "selfies": "[C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O]", "smiles": "Cc1[nH]c2ccccc2c1C(=O)Cn1nc(C(F)(F)F)ccc1=O" }
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one", "role": "assistant" } ]
297,550
{ "selfies": "[O][=C][N][=C][C][NH1][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][=Ring1][S][NH1][Ring2][Ring1][Ring2]", "smiles": "O=c1ncc2[nH]c(-c3cccc(C4CCCC4)c3)nc2[nH]1" }
8-(3-cyclopentylphenyl)-3,7-dihydropurin-2-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "8-(3-cyclopentylphenyl)-3,7-dihydropurin-2-one", "role": "assistant" } ]
297,551
{ "selfies": "[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][S][Ring1][Branch1][C][=C][Ring1][P][C]", "smiles": "COc1cc(C)c(S(=O)(=O)N(C)c2nncs2)cc1C" }
4-methoxy-N,2,5-trimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "4-methoxy-N,2,5-trimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide", "role": "assistant" } ]
297,552
{ "selfies": "[C][N][C][C][C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][P][C][=C][NH1][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][O][Ring1][#C][C][Ring2][Ring1][Ring2]", "smiles": "CN1CCC(c2nc(-c3c[nH]c4ncc(Br)cc34)no2)C1" }
3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole", "role": "assistant" } ]
297,553
{ "selfies": "[C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][NH1][Ring1][S]", "smiles": "CN(Cc1ccc(CO)cc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1" }
2-[[[4-(hydroxymethyl)phenyl]methyl-methylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "2-[[[4-(hydroxymethyl)phenyl]methyl-methylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one", "role": "assistant" } ]