id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
298,069 | {
"selfies": "[N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=N][N][Ring1][Branch1][C][=Ring1][=Branch2]",
"smiles": "NC(=O)CNC(=O)c1[nH]ncc1NC(=O)c1ccc2cnnn2c1"
} | N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]triazolo[1,5-a]pyridine-6-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-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]triazolo[1,5-a]pyridine-6-carboxamide",
"role": "assistant"
}
] |
298,070 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][P][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]",
"smiles": "COc1ccc(C(CNC(=O)c2cc(C3CC3)[nH]n2)N2CCOCC2)cc1OC"
} | 5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-3-carboxamide | [
{
"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-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-3-carboxamide",
"role": "assistant"
}
] |
298,071 | {
"selfies": "[C][N][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2]",
"smiles": "Cn1nc(C(=O)N2CCCC3(CCNCC3)C2)c(=O)c2ccccc21"
} | 3-(2,9-diazaspiro[5.5]undecane-2-carbonyl)-1-methylcinnolin-4-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": "3-(2,9-diazaspiro[5.5]undecane-2-carbonyl)-1-methylcinnolin-4-one",
"role": "assistant"
}
] |
298,072 | {
"selfies": "[C][C][O][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][C][Ring1][Ring1]",
"smiles": "CCOC(CN1CCCCC1CCS(N)(=O)=O)C1CC1"
} | 2-[1-(2-cyclopropyl-2-ethoxyethyl)piperidin-2-yl]ethanesulfonamide | [
{
"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-[1-(2-cyclopropyl-2-ethoxyethyl)piperidin-2-yl]ethanesulfonamide",
"role": "assistant"
}
] |
298,073 | {
"selfies": "[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][F][=C][Ring2][Ring1][#Branch2]",
"smiles": "CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(C(=O)O)cc2F)c1"
} | 4-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]-3-fluorobenzoic acid | [
{
"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-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]-3-fluorobenzoic acid",
"role": "assistant"
}
] |
298,074 | {
"selfies": "[C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1][C][=C][Ring1][=C]",
"smiles": "Cc1ccsc1-c1ccc(S(=O)(=O)C23CC(C2)C3)cc1"
} | 2-[4-(1-bicyclo[1.1.1]pentanylsulfonyl)phenyl]-3-methylthiophene | [
{
"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-[4-(1-bicyclo[1.1.1]pentanylsulfonyl)phenyl]-3-methylthiophene",
"role": "assistant"
}
] |
298,075 | {
"selfies": "[O][=C][Branch1][C][O][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]",
"smiles": "O=C(O)C1c2ccsc2CCN1S(=O)(=O)N1CCc2ccccc2C1"
} | 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-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": "5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid",
"role": "assistant"
}
] |
298,076 | {
"selfies": "[N][C][=Branch1][C][=O][C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][=N][O][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1]",
"smiles": "NC(=O)C1(c2nc(-c3cccc(Oc4ccccc4)c3)no2)CC1"
} | 1-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxamide | [
{
"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": "1-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxamide",
"role": "assistant"
}
] |
298,077 | {
"selfies": "[O][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][O][C][C][C][C][Ring1][Ring2][NH1][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=c1cc(-c2nc(-c3ccccn3)nn2C2CCC2)[nH]n1-c1ccccc1"
} | 5-(2-cyclobutyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)-2-phenyl-1H-pyrazol-3-one | [
{
"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-(2-cyclobutyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)-2-phenyl-1H-pyrazol-3-one",
"role": "assistant"
}
] |
298,078 | {
"selfies": "[O][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]",
"smiles": "O=C(NCc1cccc2c1CCNC2)c1cc2ccc(Cl)cc2c(=O)[nH]1"
} | 7-chloro-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-2H-isoquinoline-3-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": "7-chloro-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-2H-isoquinoline-3-carboxamide",
"role": "assistant"
}
] |
298,079 | {
"selfies": "[O][=C][Branch1][C][O][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"smiles": "O=C(O)C(NS(=O)(=O)Cc1ccccc1F)c1ccc(O)cc1"
} | (2S)-2-[(2-fluorophenyl)methylsulfonylamino]-2-(4-hydroxyphenyl)acetic acid | [
{
"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": "(2S)-2-[(2-fluorophenyl)methylsulfonylamino]-2-(4-hydroxyphenyl)acetic acid",
"role": "assistant"
}
] |
298,080 | {
"selfies": "[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C]",
"smiles": "Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc3c(c2)COC3)c1C"
} | 1,3-dihydro-2-benzofuran-5-ylmethyl 2,3-dimethyl-6-nitrobenzoate | [
{
"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": "1,3-dihydro-2-benzofuran-5-ylmethyl 2,3-dimethyl-6-nitrobenzoate",
"role": "assistant"
}
] |
298,081 | {
"selfies": "[C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1]",
"smiles": "CC1CCN(C(=O)c2c(C(=O)O)cnn2C)c2ccccc21"
} | 1-methyl-5-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-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> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "1-methyl-5-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-4-carboxylic acid",
"role": "assistant"
}
] |
298,082 | {
"selfies": "[C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "CC(C(=O)NC(CNC(=O)CN1CCNC(=O)C1)C(C)(C)C)N1CCOCC1"
} | (2S)-N-[3,3-dimethyl-1-[[2-(3-oxopiperazin-1-yl)acetyl]amino]butan-2-yl]-2-morpholin-4-ylpropanamide | [
{
"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": "(2S)-N-[3,3-dimethyl-1-[[2-(3-oxopiperazin-1-yl)acetyl]amino]butan-2-yl]-2-morpholin-4-ylpropanamide",
"role": "assistant"
}
] |
298,083 | {
"selfies": "[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(C)c1c(C(=O)NC(CC(=O)O)c2cccnc2)nnn1-c1ccccc1"
} | (3S)-3-[(1-phenyl-5-propan-2-yltriazole-4-carbonyl)amino]-3-pyridin-3-ylpropanoic acid | [
{
"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": "(3S)-3-[(1-phenyl-5-propan-2-yltriazole-4-carbonyl)amino]-3-pyridin-3-ylpropanoic acid",
"role": "assistant"
}
] |
298,084 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][NH1][N][=C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][O][Ring1][Branch2][C][=C][Ring1][P]",
"smiles": "Cc1ccc(-c2[nH]nc3[nH]c(=O)[nH]c(=O)c23)cc1"
} | 3-(4-methylphenyl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione | [
{
"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-(4-methylphenyl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione",
"role": "assistant"
}
] |
298,085 | {
"selfies": "[C][N][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring2][Ring1][C]",
"smiles": "Cn1cc(NC(=O)c2ccc(C(=O)O)cc2)c(=O)[nH]1"
} | 4-[(2-methyl-5-oxo-1H-pyrazol-4-yl)carbamoyl]benzoic 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": "4-[(2-methyl-5-oxo-1H-pyrazol-4-yl)carbamoyl]benzoic acid",
"role": "assistant"
}
] |
298,086 | {
"selfies": "[C][=C][C][=N][C][Branch2][Ring1][Branch1][C][=N][O][C][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=N][Ring1][N][=C][C][=C][Ring2][Ring1][C][NH1][Ring2][Ring1][Branch1]",
"smiles": "c1cc2nc(-c3noc(C4CC5CCC4C5)n3)ccc2[nH]1"
} | 5-(2-bicyclo[2.2.1]heptanyl)-3-(1H-pyrrolo[3,2-b]pyridin-5-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> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "5-(2-bicyclo[2.2.1]heptanyl)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)-1,2,4-oxadiazole",
"role": "assistant"
}
] |
298,087 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][O][N][=N][Ring1][=Branch2]",
"smiles": "COC(=O)C(=Cc1ccc(F)cc1)n1cc(CC(C)O)nn1"
} | methyl (Z)-3-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)triazol-1-yl]prop-2-enoate | [
{
"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 (Z)-3-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)triazol-1-yl]prop-2-enoate",
"role": "assistant"
}
] |
298,088 | {
"selfies": "[C][C][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][O][C][=Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2]",
"smiles": "Cc1c(C2CCOCC2)noc1NC(=O)CC1CCS(=O)(=O)CC1"
} | 2-(1,1-dioxothian-4-yl)-N-[4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-yl]acetamide | [
{
"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-(1,1-dioxothian-4-yl)-N-[4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-yl]acetamide",
"role": "assistant"
}
] |
298,089 | {
"selfies": "[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][=N][O][Ring1][=C][C][C][Ring2][Ring1][=Branch1][N][=C][Ring2][Ring1][N]",
"smiles": "CN(C)Cc1ccc(N2CCN(C(=O)C3(C)CC(c4cccc(Cl)c4F)=NO3)CC2)nc1"
} | [3-(3-chloro-2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[5-[(dimethylamino)methyl]pyridin-2-yl]piperazin-1-yl]methanone | [
{
"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-(3-chloro-2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[5-[(dimethylamino)methyl]pyridin-2-yl]piperazin-1-yl]methanone",
"role": "assistant"
}
] |
298,090 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][=N][NH1][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]",
"smiles": "Cc1ccc(-c2nc(SCC(=O)Nc3cccc4c3CCCC4)n[nH]2)cc1"
} | 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide | [
{
"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-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide",
"role": "assistant"
}
] |
298,091 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C][Ring1][=C]",
"smiles": "CNC(=O)C1(C)CCN(C(=O)c2cc(Cl)c[nH]2)C1"
} | 1-(4-chloro-1H-pyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-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": "1-(4-chloro-1H-pyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide",
"role": "assistant"
}
] |
298,092 | {
"selfies": "[C][=C][C][=C][N][=C][C][Branch1][=C][C][C][=C][N][N][=C][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1]",
"smiles": "c1ccc2ncc(-c3ccn4nccc4c3)cc2c1"
} | 3-pyrazolo[1,5-a]pyridin-5-ylquinoline | [
{
"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-pyrazolo[1,5-a]pyridin-5-ylquinoline",
"role": "assistant"
}
] |
298,093 | {
"selfies": "[C][N][Branch2][Ring1][C][C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][Ring1][#Branch2][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]",
"smiles": "CN(Cc1cnc(-c2cccs2)[nH]1)C1CCN(c2ccccc2)CC1"
} | N-methyl-1-phenyl-N-[(2-thiophen-2-yl-1H-imidazol-5-yl)methyl]piperidin-4-amine | [
{
"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": "N-methyl-1-phenyl-N-[(2-thiophen-2-yl-1H-imidazol-5-yl)methyl]piperidin-4-amine",
"role": "assistant"
}
] |
298,094 | {
"selfies": "[C][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][S][Ring1][=C][C][Ring2][Ring1][Branch1]",
"smiles": "Cc1cc2n(n1)CCN(c1nc(-c3ccc(C(C)C)cc3)cs1)C2"
} | 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole | [
{
"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-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole",
"role": "assistant"
}
] |
298,095 | {
"selfies": "[Cl][C][=C][S][C][=C][Ring1][Branch1][C][=N][C][=N][C][=N][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]",
"smiles": "Clc1cscc1-c1nc2ncncc2[nH]1"
} | 8-(4-chlorothiophen-3-yl)-7H-purine | [
{
"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": "8-(4-chlorothiophen-3-yl)-7H-purine",
"role": "assistant"
}
] |
298,096 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][N][C][=C][C][=C][C][=Ring2][Ring1][Ring2][Ring1][=Branch1]",
"smiles": "CCOC(=O)c1c(NC(=O)c2cnc(N)c(Cl)c2)cn2ccccc12"
} | ethyl 2-[(6-amino-5-chloropyridine-3-carbonyl)amino]indolizine-1-carboxylate | [
{
"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": "ethyl 2-[(6-amino-5-chloropyridine-3-carbonyl)amino]indolizine-1-carboxylate",
"role": "assistant"
}
] |
298,097 | {
"selfies": "[O][=C][Branch1][#C][N][C][C][C][Branch1][=Branch1][C][N][C][Ring1][Ring2][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][C][=C][Ring1][Branch2][NH1][Ring1][O]",
"smiles": "O=C(NC1CC2(CNC2)C1)c1cc2c(F)c(Cl)ccc2[nH]1"
} | N-(2-azaspiro[3.3]heptan-6-yl)-5-chloro-4-fluoro-1H-indole-2-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": "N-(2-azaspiro[3.3]heptan-6-yl)-5-chloro-4-fluoro-1H-indole-2-carboxamide",
"role": "assistant"
}
] |
298,098 | {
"selfies": "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][N][=N][C][=C][Ring1][Branch1][C][N][Ring1][O][C][C][S][N][=C][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1]",
"smiles": "c1ccc2c(c1)Cn1nncc1CN2Cc1snc2ccccc12"
} | 3-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-ylmethyl)-2,1-benzothiazole | [
{
"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-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-ylmethyl)-2,1-benzothiazole",
"role": "assistant"
}
] |
298,099 | {
"selfies": "[C][N][C][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][S][C][=N][Ring1][Branch1][=N][N][=C][Ring1][S][C][C][C][C][Ring1][Ring2]",
"smiles": "Cn1c(CS(=O)(=O)CCc2cscn2)nnc1C1CCC1"
} | 4-[2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]ethyl]-1,3-thiazole | [
{
"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-[2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]ethyl]-1,3-thiazole",
"role": "assistant"
}
] |
298,100 | {
"selfies": "[C][C][C][N][Branch2][Ring1][Branch2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][C][=C][S][C][Ring1][#Branch2][=Ring1][Branch1][C][Ring2][Ring1][Ring1]",
"smiles": "CC1CN(CCOC(=O)c2ccc(F)c3ccsc23)C1"
} | 2-(3-methylazetidin-1-yl)ethyl 4-fluoro-1-benzothiophene-7-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": "2-(3-methylazetidin-1-yl)ethyl 4-fluoro-1-benzothiophene-7-carboxylate",
"role": "assistant"
}
] |
298,101 | {
"selfies": "[O][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][O][N][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2]",
"smiles": "O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1O)N1CCCC(C2CC2)C1"
} | (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)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": "(3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone",
"role": "assistant"
}
] |
298,102 | {
"selfies": "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=N][Ring2][Ring1][Ring1]",
"smiles": "CN(C)C(=O)CCCn1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)n1"
} | N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide | [
{
"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-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide",
"role": "assistant"
}
] |
298,104 | {
"selfies": "[C][O][C][C][O][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][Ring1][=Branch1]",
"smiles": "COCCOCc1cc(C#N)ccc1N1CCC2(CC1)COC2"
} | 3-(2-methoxyethoxymethyl)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)benzonitrile | [
{
"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-methoxyethoxymethyl)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)benzonitrile",
"role": "assistant"
}
] |
298,105 | {
"selfies": "[F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][N][C][Ring2][Ring1][=Branch1]",
"smiles": "Fc1ccc2c(c1)OCCN(c1cc3c(nn1)-c1ccccc1OC3)C2"
} | 3-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5H-chromeno[4,3-c]pyridazine | [
{
"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-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5H-chromeno[4,3-c]pyridazine",
"role": "assistant"
}
] |
298,106 | {
"selfies": "[C][C][C][=C][C][=C][Branch2][Ring2][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][#C][Ring2][Ring1][O][C][=C][Ring2][Ring1][P]",
"smiles": "CCc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)c3c(NCCc4ccccc4)cccc32)cc1"
} | 1-(4-ethylphenyl)-2-(4-methylphenyl)-5-(2-phenylethylamino)quinolin-4-one | [
{
"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": "1-(4-ethylphenyl)-2-(4-methylphenyl)-5-(2-phenylethylamino)quinolin-4-one",
"role": "assistant"
}
] |
298,107 | {
"selfies": "[C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=N][O][C][Branch1][S][C][Branch1][Ring1][C][#N][C][C][C][=Branch1][C][=O][C][C][Ring1][=Branch2][=N][Ring1][=C]",
"smiles": "Cn1nc(C(F)(F)F)cc1-c1noc(C2(C#N)CCC(=O)CC2)n1"
} | 1-[3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-oxadiazol-5-yl]-4-oxocyclohexane-1-carbonitrile | [
{
"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": "1-[3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-oxadiazol-5-yl]-4-oxocyclohexane-1-carbonitrile",
"role": "assistant"
}
] |
298,108 | {
"selfies": "[O][=C][Branch2][Ring1][Ring2][N][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][=Branch1]",
"smiles": "O=C(Nc1ncn(Cc2cccnc2)n1)c1cccc2c1C(=O)CC2"
} | 3-oxo-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]-1,2-dihydroindene-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": "3-oxo-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]-1,2-dihydroindene-4-carboxamide",
"role": "assistant"
}
] |
298,109 | {
"selfies": "[O][=C][NH1][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][N][Branch1][O][C][C][C][N][C][=N][N][=N][Ring1][Branch1][C][Ring1][=C]",
"smiles": "O=c1[nH]nc(C(F)(F)F)c2c1CCN(CCCn1cnnn1)C2"
} | 6-[3-(tetrazol-1-yl)propyl]-4-(trifluoromethyl)-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one | [
{
"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": "6-[3-(tetrazol-1-yl)propyl]-4-(trifluoromethyl)-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one",
"role": "assistant"
}
] |
298,110 | {
"selfies": "[O][=C][Branch1][Ring1][C][Cl][N][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][C][Ring2][Ring1][Ring1]",
"smiles": "O=C(CCl)NC1(CNC(=O)c2ccsc2C(F)(F)F)CCCCC1"
} | N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-2-(trifluoromethyl)thiophene-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-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-2-(trifluoromethyl)thiophene-3-carboxamide",
"role": "assistant"
}
] |
298,111 | {
"selfies": "[C][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O]",
"smiles": "CC(Nc1nccn(CC(=O)O)c1=O)c1cn(-c2ccccc2)nn1"
} | 2-[2-oxo-3-[1-(1-phenyltriazol-4-yl)ethylamino]pyrazin-1-yl]acetic acid | [
{
"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-[2-oxo-3-[1-(1-phenyltriazol-4-yl)ethylamino]pyrazin-1-yl]acetic acid",
"role": "assistant"
}
] |
298,112 | {
"selfies": "[O][=C][Branch1][=C][N][C][C][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][#Branch1][Ring1][Branch2]",
"smiles": "O=C(NCCc1noc(=O)[nH]1)C1C2CC(F)(F)CC21"
} | (1S,5R)-3,3-difluoro-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[3.1.0]hexane-6-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": "(1S,5R)-3,3-difluoro-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide",
"role": "assistant"
}
] |
298,113 | {
"selfies": "[O][=C][NH1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][S][C][=C][N][Ring1][Branch2][Ring1][Branch1]",
"smiles": "O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1cnc2sccn12"
} | N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide | [
{
"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": "N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide",
"role": "assistant"
}
] |
298,114 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][O][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CNC(=O)C(NC(=O)c1ccc(CSc2nccn2C)o1)c1ccccc1"
} | N-[2-(methylamino)-2-oxo-1-phenylethyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide | [
{
"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": "N-[2-(methylamino)-2-oxo-1-phenylethyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide",
"role": "assistant"
}
] |
298,115 | {
"selfies": "[C][O][C][C][Branch2][Branch1][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][S]",
"smiles": "COCC1(CC(=O)NCc2ccc(S(=O)(=O)N3CCC(N4CCN(C(C)C)CC4)CC3)cc2)CC1"
} | 2-[1-(methoxymethyl)cyclopropyl]-N-[[4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]sulfonylphenyl]methyl]acetamide | [
{
"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-[1-(methoxymethyl)cyclopropyl]-N-[[4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]sulfonylphenyl]methyl]acetamide",
"role": "assistant"
}
] |
298,116 | {
"selfies": "[O][=C][Branch1][#Branch2][C][=C][C][C][S][C][C][Ring1][=Branch1][O][C][C][C][N][=N][NH1][N][=Ring1][Branch1]",
"smiles": "O=C(C=C1CCSCC1)OCCc1nn[nH]n1"
} | 2-(2H-tetrazol-5-yl)ethyl 2-(thian-4-ylidene)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": "2-(2H-tetrazol-5-yl)ethyl 2-(thian-4-ylidene)acetate",
"role": "assistant"
}
] |
298,117 | {
"selfies": "[C][C][=N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][F][=C][Ring1][=Branch2][O]",
"smiles": "Cc1nc(C2CCCCC2)nn1-c1cc(C#N)cc(F)c1O"
} | 3-(3-cyclohexyl-5-methyl-1,2,4-triazol-1-yl)-5-fluoro-4-hydroxybenzonitrile | [
{
"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-(3-cyclohexyl-5-methyl-1,2,4-triazol-1-yl)-5-fluoro-4-hydroxybenzonitrile",
"role": "assistant"
}
] |
298,118 | {
"selfies": "[O][=C][C][=C][C][Branch2][Ring1][Ring2][C][=N][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][O][=C][NH1][Ring1][P]",
"smiles": "O=c1ccc(-c2nc(NCC(F)(F)F)n[nH]2)c[nH]1"
} | 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-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-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one",
"role": "assistant"
}
] |
298,119 | {
"selfies": "[N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1]",
"smiles": "NC(=O)c1cn(CC(=O)Nc2cccc3cnccc23)c2ccccc12"
} | 1-[2-(isoquinolin-5-ylamino)-2-oxoethyl]indole-3-carboxamide | [
{
"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-[2-(isoquinolin-5-ylamino)-2-oxoethyl]indole-3-carboxamide",
"role": "assistant"
}
] |
298,120 | {
"selfies": "[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][=N]",
"smiles": "Cc1c(C(=O)O)cncc1-c1ccc(OCC2CCOC2)cc1"
} | 4-methyl-5-[4-(oxolan-3-ylmethoxy)phenyl]pyridine-3-carboxylic acid | [
{
"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-methyl-5-[4-(oxolan-3-ylmethoxy)phenyl]pyridine-3-carboxylic acid",
"role": "assistant"
}
] |
298,121 | {
"selfies": "[C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][Ring1][=C][=C][Branch1][C][C][N][Ring2][Ring1][#Branch1][C]",
"smiles": "Cc1cc(C(=O)Nc2ccc(C3CC(=O)NC(=O)N3)cc2)c(C)n1C"
} | N-[4-(2,6-dioxo-1,3-diazinan-4-yl)phenyl]-1,2,5-trimethylpyrrole-3-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-[4-(2,6-dioxo-1,3-diazinan-4-yl)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide",
"role": "assistant"
}
] |
298,122 | {
"selfies": "[C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1]",
"smiles": "CN(C(=O)C(=O)Nc1cccc(C(=O)O)c1)C1CCC(O)CC1"
} | 3-[[2-[(4-hydroxycyclohexyl)-methylamino]-2-oxoacetyl]amino]benzoic 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": "3-[[2-[(4-hydroxycyclohexyl)-methylamino]-2-oxoacetyl]amino]benzoic acid",
"role": "assistant"
}
] |
298,123 | {
"selfies": "[C][N][C][=Branch1][C][=O][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1]",
"smiles": "Cn1c(=O)n(CC(O)c2cccc(Cl)n2)c2ccc(Cl)cc21"
} | 5-chloro-1-[2-(6-chloropyridin-2-yl)-2-hydroxyethyl]-3-methylbenzimidazol-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": "5-chloro-1-[2-(6-chloropyridin-2-yl)-2-hydroxyethyl]-3-methylbenzimidazol-2-one",
"role": "assistant"
}
] |
298,124 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][Branch1][=Branch2][P][Branch1][C][C][Branch1][C][C][=O][=C][C][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1]",
"smiles": "CC1(C)CCC(CNc2cc(P(C)(C)=O)ccn2)c2ccccc21"
} | N-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methyl]-4-dimethylphosphorylpyridin-2-amine | [
{
"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-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methyl]-4-dimethylphosphorylpyridin-2-amine",
"role": "assistant"
}
] |
298,125 | {
"selfies": "[C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#C]",
"smiles": "CC1CC(NC(=O)NCc2cccs2)=NO1"
} | 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-(thiophen-2-ylmethyl)urea | [
{
"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": "1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-(thiophen-2-ylmethyl)urea",
"role": "assistant"
}
] |
298,126 | {
"selfies": "[C][C][Branch1][C][O][C][N][Branch2][Ring1][#Branch1][C][C][=N][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][S][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O]",
"smiles": "CC(O)CN(Cc1nc(-c2c(F)cccc2F)cs1)S(C)(=O)=O"
} | N-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-hydroxypropyl)methanesulfonamide | [
{
"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": "N-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-hydroxypropyl)methanesulfonamide",
"role": "assistant"
}
] |
298,127 | {
"selfies": "[C][N][C][=N][C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][C][C][Ring1][Ring1][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1]",
"smiles": "Cn1cnc(CCN2C(=O)CN(CC3CC3c3ccco3)C2=O)c1"
} | 1-[[(1R,2R)-2-(furan-2-yl)cyclopropyl]methyl]-3-[2-(1-methylimidazol-4-yl)ethyl]imidazolidine-2,4-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": "1-[[(1R,2R)-2-(furan-2-yl)cyclopropyl]methyl]-3-[2-(1-methylimidazol-4-yl)ethyl]imidazolidine-2,4-dione",
"role": "assistant"
}
] |
298,128 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=S][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=N][O]",
"smiles": "COC(=O)c1ccc(C)c(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)c(=S)[nH]c3c2)c1O"
} | methyl 3-[[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]-2-hydroxy-4-methylbenzoate | [
{
"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": "methyl 3-[[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]-2-hydroxy-4-methylbenzoate",
"role": "assistant"
}
] |
298,129 | {
"selfies": "[C][S][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring1][=Branch2]",
"smiles": "CSCCC(=O)Nc1nc(C(F)(F)F)no1"
} | 3-methylsulfanyl-N-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propanamide | [
{
"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-methylsulfanyl-N-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propanamide",
"role": "assistant"
}
] |
298,130 | {
"selfies": "[O][=C][Branch1][S][C][Branch1][C][O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]",
"smiles": "O=C(C(O)COCc1ccccc1)N1CCc2cc(F)ccc21"
} | (2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-2-hydroxy-3-phenylmethoxypropan-1-one | [
{
"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": "(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-2-hydroxy-3-phenylmethoxypropan-1-one",
"role": "assistant"
}
] |
298,131 | {
"selfies": "[C][O][C][C][N][C][C][C][Branch1][S][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][C][C][Ring1][#C]",
"smiles": "COCCN1CCC(Nc2ncc(C(C)C)s2)CC1"
} | N-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine | [
{
"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": "N-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine",
"role": "assistant"
}
] |
298,132 | {
"selfies": "[C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][C][N][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][C][N][C][Ring1][=Branch1]",
"smiles": "Cc1nc(C(C)C)ccc1CN1CCn2cccc2C12CCCNC2"
} | 2-[(2-methyl-6-propan-2-ylpyridin-3-yl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine] | [
{
"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-[(2-methyl-6-propan-2-ylpyridin-3-yl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]",
"role": "assistant"
}
] |
298,133 | {
"selfies": "[C][O][C][Branch2][Ring1][Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][NH1][N][=Ring1][Branch2][C][C][C][Ring1][Ring1]",
"smiles": "COC(CS(=O)(=O)Nc1cc(C(N)=O)[nH]n1)C1CC1"
} | 3-[(2-cyclopropyl-2-methoxyethyl)sulfonylamino]-1H-pyrazole-5-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": "3-[(2-cyclopropyl-2-methoxyethyl)sulfonylamino]-1H-pyrazole-5-carboxamide",
"role": "assistant"
}
] |
298,134 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]",
"smiles": "COc1ccc(-c2nc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)cc1OC"
} | 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole | [
{
"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-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole",
"role": "assistant"
}
] |
298,135 | {
"selfies": "[C][C][=C][C][=C][Branch2][#Branch1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][=C][Ring2][Ring1][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][Ring2][Branch1][Branch1]",
"smiles": "Cc1ccc(S(=O)(=O)N(C)C(=O)CC(c2ccc([N+](=O)[O-])cc2)N(C(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)c2cc(Br)cc(Br)c2)cc1"
} | N-(3,5-dibromophenyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-3-[methyl-(4-methylphenyl)sulfonylamino]-1-(4-nitrophenyl)-3-oxopropyl]benzamide | [
{
"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": "N-(3,5-dibromophenyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-3-[methyl-(4-methylphenyl)sulfonylamino]-1-(4-nitrophenyl)-3-oxopropyl]benzamide",
"role": "assistant"
}
] |
298,136 | {
"selfies": "[C][C][#C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][Branch1][Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][Ring1]",
"smiles": "CC#CC(=O)NC12CC(NC3=C(Cl)C(=O)c4ncccc4C3=O)(C1)C2"
} | N-[3-[(7-chloro-5,8-dioxoquinolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]but-2-ynamide | [
{
"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": "N-[3-[(7-chloro-5,8-dioxoquinolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]but-2-ynamide",
"role": "assistant"
}
] |
298,137 | {
"selfies": "[O][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Br][C][=N][Ring1][Branch2]",
"smiles": "O=C1C=C(Cl)C(Br)C=N1"
} | 3-bromo-4-chloro-3H-pyridin-6-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": "3-bromo-4-chloro-3H-pyridin-6-one",
"role": "assistant"
}
] |
298,140 | {
"selfies": "[C][C][Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][O]",
"smiles": "CC(C)C(NC(=O)CCC(=O)O)C(=O)NC(CCCNC(N)=O)C(=O)O"
} | 5-(carbamoylamino)-2-[[2-(3-carboxypropanoylamino)-3-methylbutanoyl]amino]pentanoic acid | [
{
"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": "5-(carbamoylamino)-2-[[2-(3-carboxypropanoylamino)-3-methylbutanoyl]amino]pentanoic acid",
"role": "assistant"
}
] |
298,142 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][P][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C"
} | 5-O-benzyl 1-O-tert-butyl 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioate | [
{
"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": "5-O-benzyl 1-O-tert-butyl 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioate",
"role": "assistant"
}
] |
298,143 | {
"selfies": "[C][C][C][C][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][=C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Ring1][O][C]",
"smiles": "CC1CCC2=C1CCC1C2CC=C2CC(O)CCC21C"
} | 10,17-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol | [
{
"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": "10,17-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol",
"role": "assistant"
}
] |
298,144 | {
"selfies": "[C][C][Branch2][Ring2][N][O][C][O][C][C][N][Branch1][N][C][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][Ring1][=N][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]",
"smiles": "CC(OC1OCCN(Cc2n[nH]c(=O)[nH]2)C1c1cccc(-c2ccc(F)cc2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"
} | 3-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-[3-(4-fluorophenyl)phenyl]morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-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": "3-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-[3-(4-fluorophenyl)phenyl]morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one",
"role": "assistant"
}
] |
298,145 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N+1][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]",
"smiles": "COc1ccc(N2CCN3C(=O)C(=O)[N+](CC(=O)Nc4cc(C)ccc4C)=NC32)cc1"
} | N-(2,5-dimethylphenyl)-2-[8-(4-methoxyphenyl)-3,4-dioxo-7,8a-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-2-ium-2-yl]acetamide | [
{
"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-(2,5-dimethylphenyl)-2-[8-(4-methoxyphenyl)-3,4-dioxo-7,8a-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-2-ium-2-yl]acetamide",
"role": "assistant"
}
] |
298,146 | {
"selfies": "[C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][C][N][Branch2][Ring1][Ring2][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O]",
"smiles": "CCOc1ccc(N2CCN(Cc3nc(-c4ccccc4)oc3C)C(=O)C2=O)cc1"
} | 1-(4-ethoxyphenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazine-2,3-dione | [
{
"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": "1-(4-ethoxyphenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazine-2,3-dione",
"role": "assistant"
}
] |
298,147 | {
"selfies": "[C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=Branch2][Ring1][N][=N][C][=N+1][Ring1][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][N][Branch1][C][C][C][Ring2][Ring1][=Branch2][=O]",
"smiles": "C=C(C)CN1C(=O)C2C(=NC3=[N+]2CC(C)CN3c2cc(C)ccc2OC)N(C)C1=O"
} | 9-(2-methoxy-5-methylphenyl)-1,7-dimethyl-3-(2-methylprop-2-enyl)-4a,6,7,8-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-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": "9-(2-methoxy-5-methylphenyl)-1,7-dimethyl-3-(2-methylprop-2-enyl)-4a,6,7,8-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione",
"role": "assistant"
}
] |
298,148 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N+1][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=N][C][Ring2][Ring1][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]",
"smiles": "COc1ccc(N2CCN3C(=O)C(=O)[N+](CC(=O)NCC4CCCO4)=NC32)cc1"
} | 2-[8-(4-methoxyphenyl)-3,4-dioxo-7,8a-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-2-ium-2-yl]-N-(oxolan-2-ylmethyl)acetamide | [
{
"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": "2-[8-(4-methoxyphenyl)-3,4-dioxo-7,8a-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-2-ium-2-yl]-N-(oxolan-2-ylmethyl)acetamide",
"role": "assistant"
}
] |
298,149 | {
"selfies": "[C][C][N][C][=Branch1][C][=O][C][C][=Branch2][Ring1][=C][=N][C][=N+1][Ring1][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][N][Branch1][C][C][C][Ring2][Ring1][=Branch2][=O]",
"smiles": "CCN1C(=O)C2C(=NC3=[N+]2CC(C)CN3c2ccc(OC)c(Cl)c2)N(C)C1=O"
} | 9-(3-chloro-4-methoxyphenyl)-3-ethyl-1,7-dimethyl-4a,6,7,8-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-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": "9-(3-chloro-4-methoxyphenyl)-3-ethyl-1,7-dimethyl-4a,6,7,8-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione",
"role": "assistant"
}
] |
298,150 | {
"selfies": "[C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=Branch1][#C][=N][C][=N+1][Ring1][Branch1][C][C][Branch1][C][C][=N][N][Ring1][#Branch1][N][Branch1][C][C][C][Ring1][S][=O]",
"smiles": "CCCCCN1C(=O)C2C(=NC3=[N+]2CC(C)=NN3)N(C)C1=O"
} | 3,9-dimethyl-7-pentyl-4,5a-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-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": "3,9-dimethyl-7-pentyl-4,5a-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione",
"role": "assistant"
}
] |
298,151 | {
"selfies": "[C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=N+1][Branch1][Branch1][C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=N][=N][Ring2][Ring1][C]",
"smiles": "CC1=NN(CC(C)C)C2=[N+](C1C)C1C(=O)N(CC(C)C)C(=O)N(C)C1=N2"
} | 3,4,9-trimethyl-1,7-bis(2-methylpropyl)-4,5a-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-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": "3,4,9-trimethyl-1,7-bis(2-methylpropyl)-4,5a-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione",
"role": "assistant"
}
] |
298,152 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N+1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring1][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]",
"smiles": "COc1ccc(N2CCN3C(=O)C(=O)[N+](Cc4ccccc4Cl)=NC32)cc1"
} | 2-[(2-chlorophenyl)methyl]-8-(4-methoxyphenyl)-7,8a-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-2-ium-3,4-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": "2-[(2-chlorophenyl)methyl]-8-(4-methoxyphenyl)-7,8a-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-2-ium-3,4-dione",
"role": "assistant"
}
] |
298,153 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=O][=C][Ring2][Ring1][#Branch2]",
"smiles": "COc1cccc(N2CCN(CC(=O)NCc3ccc(C)cc3)C(=O)C2=O)c1"
} | 2-[4-(3-methoxyphenyl)-2,3-dioxopiperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide | [
{
"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-(3-methoxyphenyl)-2,3-dioxopiperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide",
"role": "assistant"
}
] |
298,154 | {
"selfies": "[C][N][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][=O]",
"smiles": "CN1C(=O)NCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1=O"
} | 1-methyl-2,6-dioxo-N-[(4-sulfamoylphenyl)methyl]-1,3-diazinane-5-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": "1-methyl-2,6-dioxo-N-[(4-sulfamoylphenyl)methyl]-1,3-diazinane-5-carboxamide",
"role": "assistant"
}
] |
298,155 | {
"selfies": "[C][C][Branch1][C][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][#C][=O]",
"smiles": "CC(C)CN1CCN(c2ccc(F)c(F)c2)C(=O)C1=O"
} | 1-(3,4-difluorophenyl)-4-(2-methylpropyl)piperazine-2,3-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "1-(3,4-difluorophenyl)-4-(2-methylpropyl)piperazine-2,3-dione",
"role": "assistant"
}
] |
298,156 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Ring1][O][=O][=C][Ring2][Ring1][Ring1]",
"smiles": "Cc1ccc(F)c(N2CCN(CC3CC3)C(=O)C2=O)c1"
} | 1-(cyclopropylmethyl)-4-(2-fluoro-5-methylphenyl)piperazine-2,3-dione | [
{
"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": "1-(cyclopropylmethyl)-4-(2-fluoro-5-methylphenyl)piperazine-2,3-dione",
"role": "assistant"
}
] |
298,157 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][N][C][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=N][O][Ring1][N][C][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N]",
"smiles": "Cc1ccc(N2CC(C(=O)NCc3nc(C4CCNC(=O)C4)no3)CC2=O)cc1"
} | 1-(4-methylphenyl)-5-oxo-N-[[3-(2-oxopiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide | [
{
"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-(4-methylphenyl)-5-oxo-N-[[3-(2-oxopiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide",
"role": "assistant"
}
] |
298,158 | {
"selfies": "[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#C]",
"smiles": "CCC(C)NC(=O)CN1C(=O)C2NN=C(C)N2C2CCCCC21"
} | N-butan-2-yl-2-(1-methyl-4-oxo-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide | [
{
"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": "N-butan-2-yl-2-(1-methyl-4-oxo-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide",
"role": "assistant"
}
] |
298,159 | {
"selfies": "[C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][N][Ring1][Branch2][C][C][Ring1][=C]",
"smiles": "Cc1n[nH]c(C)c1CCC(=O)NC1CCN(C2NC(=O)CC(C)N2)CC1"
} | 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)piperidin-4-yl]propanamide | [
{
"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-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)piperidin-4-yl]propanamide",
"role": "assistant"
}
] |
298,160 | {
"selfies": "[O][=C][C][C][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][O][C][=C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][C][=N][Ring1][#Branch2][C][C][Ring2][Ring1][C][N][Ring2][Ring1][#Branch2]",
"smiles": "O=C1CCCC(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)N1"
} | 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidine-1-carbonyl]piperidin-2-one | [
{
"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": "6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidine-1-carbonyl]piperidin-2-one",
"role": "assistant"
}
] |
298,161 | {
"selfies": "[O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][=C][N][=C][C][=C][C][Ring1][=Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][C]",
"smiles": "O=C(c1ccsc1)N1CCC(N2C(=O)N=C3N=CC=CC3C2=O)CC1"
} | 3-[1-(thiophene-3-carbonyl)piperidin-4-yl]-4aH-pyrido[2,3-d]pyrimidine-2,4-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-[1-(thiophene-3-carbonyl)piperidin-4-yl]-4aH-pyrido[2,3-d]pyrimidine-2,4-dione",
"role": "assistant"
}
] |
298,162 | {
"selfies": "[C][C][N][C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][C][Ring1][S][N][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch1][F]",
"smiles": "CC1NC(N2CCN(c3nccc(C(F)(F)F)n3)CC2)NC(=O)C1F"
} | 5-fluoro-6-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-diazinan-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": "5-fluoro-6-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-diazinan-4-one",
"role": "assistant"
}
] |
298,163 | {
"selfies": "[C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][N][Ring2][Ring1][S]",
"smiles": "CC1CC(=O)NC(N=C(NC(=O)c2ccccc2)Nc2ccc(Oc3ccccc3)cc2)N1"
} | N-[(Z)-N'-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-(4-phenoxyphenyl)carbamimidoyl]benzamide | [
{
"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-[(Z)-N'-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-(4-phenoxyphenyl)carbamimidoyl]benzamide",
"role": "assistant"
}
] |
298,164 | {
"selfies": "[C][C][C][C][C][C][N][C][Branch2][Ring1][=Branch1][N][=N][C][=C][Branch1][C][O][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1][=N][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Ring1][Branch2][C]",
"smiles": "CCCCCCN1C(N=Nc2c(O)[nH]c3ccc(Br)cc23)=NC2C1C(=O)NC(=O)N2C"
} | 8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-7-hexyl-3-methyl-4,5-dihydropurine-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": "8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-7-hexyl-3-methyl-4,5-dihydropurine-2,6-dione",
"role": "assistant"
}
] |
298,166 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][=Branch2][#Branch1][C][Branch2][#Branch1][=N][O][C][C][O][C][Branch2][Branch1][#Branch2][N][C][=N][C][=C][Branch2][Ring1][Ring1][O][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=C][Branch2][Ring1][Ring1][O][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=C][Ring2][Ring1][=C][Ring2][Ring1][P][C][C][Ring2][Ring2][=Branch1][O][P][Branch1][=Branch1][O][C][C][C][#N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][=Branch1][O]",
"smiles": "COc1ccc(C(OCC2OC(n3cnc4c(OCCc5ccc([N+](=O)[O-])cc5)nc(OCCc5ccc([N+](=O)[O-])cc5)nc43)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1"
} | 3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,6-bis[2-(4-nitrophenyl)ethoxy]purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile | [
{
"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-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,6-bis[2-(4-nitrophenyl)ethoxy]purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile",
"role": "assistant"
}
] |
298,168 | {
"selfies": "[O][=C][C][C][N][C][=Branch1][C][=O][N][Ring1][#Branch1]",
"smiles": "O=C1CCNC(=O)N1"
} | (2,4,5,6-13C4,1,3-15N2)1,3-diazinane-2,4-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": "(2,4,5,6-13C4,1,3-15N2)1,3-diazinane-2,4-dione",
"role": "assistant"
}
] |
298,169 | {
"selfies": "[C][C][=C][Branch2][Ring2][=C][C][=C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][CH1-1][C][Ring2][Ring2][#Branch1]",
"smiles": "CC1=C(C=CC(C)CCCC(C)CCCCC(C)CCCC(C)C=CC2=C(C)CCCC2(C)C)C(C)(C)C[CH-]C1"
} | 1,3,3-trimethyl-2-[(1E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,17-dienyl]cyclohexene | [
{
"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": "1,3,3-trimethyl-2-[(1E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,17-dienyl]cyclohexene",
"role": "assistant"
}
] |
298,170 | {
"selfies": "[C][C][C][C][C][C][O][C][Ring1][Ring1][C][C][Branch1][C][O][C][=C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]",
"smiles": "CCCCCC1OC1CC(O)C=CCCCCCCC(=O)[O-]"
} | (E,10R)-10-hydroxy-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-8-enoate | [
{
"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": "(E,10R)-10-hydroxy-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-8-enoate",
"role": "assistant"
}
] |
298,172 | {
"selfies": "[N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch2][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Ring2][Ring2][#C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Ring2][Branch1][P][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][P][=C][C][=C][Ring1][=Branch1][O]",
"smiles": "NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(C(=O)O)NC(=O)C(c3ccc(O)c(-c5c(O)cc(O)cc5C(N)C(=O)O)c3)NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O"
} | (1S,18S,19S,22S,25S,28R,40R)-40-amino-22-[3-[2-[(S)-amino(carboxy)methyl]-4,6-dihydroxyphenyl]-4-hydroxyphenyl]-5,15-dichloro-18,31,36,49-tetrahydroxy-21,24,27,41,43-pentaoxo-7,13,34-trioxa-20,23,26,42,44-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.135,39.010,25]henpentaconta-3,5,8(49),9,11,14,16,29,31,33(46),35,37,39(45),47,50-pentadecaene-19-carboxylic 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": "(1S,18S,19S,22S,25S,28R,40R)-40-amino-22-[3-[2-[(S)-amino(carboxy)methyl]-4,6-dihydroxyphenyl]-4-hydroxyphenyl]-5,15-dichloro-18,31,36,49-tetrahydroxy-21,24,27,41,43-pentaoxo-7,13,34-trioxa-20,23,26,42,44-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.135,39.010,25]henpentaconta-3,5,8(49),9,11,14,16,29,31,33(46),35,37,39(45),47,50-pentadecaene-19-carboxylic acid",
"role": "assistant"
}
] |
298,173 | {
"selfies": "[C][O][C][=C][C][C][Branch2][Ring2][=C][C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][C][=C][C][=Branch1][C][=O][N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][O][C][Ring2][Ring2][Ring1][=O]",
"smiles": "COC1=CCC(C(C)C=C(C)C=CC=CC(=O)NC(C(=O)Nc2ccccc2CCO)C(C)(C)C)OC1=O"
} | N-[1-[2-(2-hydroxyethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl]-8-(5-methoxy-6-oxo-2,3-dihydropyran-2-yl)-6-methylnona-2,4,6-trienamide | [
{
"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-[1-[2-(2-hydroxyethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl]-8-(5-methoxy-6-oxo-2,3-dihydropyran-2-yl)-6-methylnona-2,4,6-trienamide",
"role": "assistant"
}
] |
298,175 | {
"selfies": "[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][Branch2][N][Ring1][Branch1]",
"smiles": "O=C(O)CC(=O)C1CCCC2CCC1N2"
} | 3-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]-3-oxopropanoic 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": "3-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]-3-oxopropanoic acid",
"role": "assistant"
}
] |
298,177 | {
"selfies": "[C][C][=C][C][=C][C][Branch1][#C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring1][=C][Cl]",
"smiles": "Cc1cccc(OC(C(=O)O)C(C)C)c1Cl"
} | 2-(2-chloro-3-methylphenoxy)-3-methylbutanoic 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-chloro-3-methylphenoxy)-3-methylbutanoic acid",
"role": "assistant"
}
] |
Subsets and Splits