MMChat SFT
Collection
27 items
•
Updated
id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
|---|---|---|---|
0 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Ring1][Branch2]",
"smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12"
} | 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine | [
{
"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-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine",
"role": "assistant"
}
] |
1 | {
"selfies": "[N][O][C][C][=Branch1][C][=O][O]",
"smiles": "NOCC(=O)O"
} | 2-aminooxyacetic 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-aminooxyacetic acid",
"role": "assistant"
}
] |
2 | {
"selfies": "[C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N+1][Branch1][C][C][=C][Ring1][#Branch1]",
"smiles": "CN1CCCC1c1ccc[n+](C)c1"
} | 1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium | [
{
"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-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium",
"role": "assistant"
}
] |
3 | {
"selfies": "[C][C][Branch1][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][Branch1][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][O]",
"smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO"
} | 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol | [
{
"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": "3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol",
"role": "assistant"
}
] |
4 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][Branch1][C][N][C][Branch2][Ring2][N][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][O][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][Branch1][C][O][C][Ring1][=C][O][O][C][Branch1][Ring1][C][O][C][Ring2][Ring2][C][O]",
"smiles": "CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C1O"
} | [3-amino-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxytetradecanoate | [
{
"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-amino-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxytetradecanoate",
"role": "assistant"
}
] |
5 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][C][C][N][C][=N][C][=C][C][=C][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][N]",
"smiles": "CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1"
} | 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea | [
{
"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-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea",
"role": "assistant"
}
] |
6 | {
"selfies": "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Ring1][C][F][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring1][=N][=O]",
"smiles": "Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O"
} | 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one | [
{
"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": "6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one",
"role": "assistant"
}
] |
7 | {
"selfies": "[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]",
"smiles": "CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C"
} | 2-(3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene | [
{
"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-(3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene",
"role": "assistant"
}
] |
8 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][Ring1][S]",
"smiles": "COC(=O)C1CSC2(c3ccccc3)c3ccccc3C(=O)N12"
} | methyl 5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate | [
{
"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": "methyl 5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate",
"role": "assistant"
}
] |
9 | {
"selfies": "[C][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=C][N][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][N][C][C][C][C][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][Ring2][Ring2][#Branch1][=O]",
"smiles": "CCC(C)C1NC(=O)C(c2cn(OC)c3ccccc23)NC(=O)C(CCCCCC(=O)OC)NC(=O)C2CCCCN2C1=O"
} | methyl 6-[3-butan-2-yl-6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate | [
{
"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": "methyl 6-[3-butan-2-yl-6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate",
"role": "assistant"
}
] |
10 | {
"selfies": "[O][=C][Branch1][N][N][N][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"smiles": "O=C(NNCS(=O)(=O)O)c1ccncc1"
} | [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic 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": "[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid",
"role": "assistant"
}
] |
11 | {
"selfies": "[C][#C][C][O][S][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]",
"smiles": "C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1"
} | [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite | [
{
"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-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite",
"role": "assistant"
}
] |
12 | {
"selfies": "[C][O][C][C][C][C][C][C][Branch1][C][C][C][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch2][Ring1][Branch1][C][Branch1][C][C][C][C][C][C][C][Branch1][C][O][C][Branch1][Ring1][O][C][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring2][Branch1][=C][C]",
"smiles": "COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C"
} | 1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone | [
{
"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": "1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone",
"role": "assistant"
}
] |
14 | {
"selfies": "[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "O=S(=O)(c1ccccc1)c1ccc(Cl)cc1"
} | 1-(benzenesulfonyl)-4-chlorobenzene | [
{
"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-(benzenesulfonyl)-4-chlorobenzene",
"role": "assistant"
}
] |
15 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P]",
"smiles": "c1ccc(-c2cnc(-c3ccccc3)o2)cc1"
} | 2,5-diphenyl-1,3-oxazole | [
{
"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": "2,5-diphenyl-1,3-oxazole",
"role": "assistant"
}
] |
16 | {
"selfies": "[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]",
"smiles": "Cc1nc2ccccc2s1"
} | 2-methyl-1,3-benzothiazole | [
{
"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-methyl-1,3-benzothiazole",
"role": "assistant"
}
] |
18 | {
"selfies": "[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C]",
"smiles": "COP(=S)(OC)OC"
} | trimethoxy(sulfanylidene)-lambda5-phosphane | [
{
"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": "trimethoxy(sulfanylidene)-lambda5-phosphane",
"role": "assistant"
}
] |
19 | {
"selfies": "[C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1"
} | 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine | [
{
"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-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine",
"role": "assistant"
}
] |
20 | {
"selfies": "[O][=C][=N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "O=C=NCC(F)(F)C(F)(F)C(F)(F)F"
} | 1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane | [
{
"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": "1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane",
"role": "assistant"
}
] |
22 | {
"selfies": "[C][C][Branch1][C][C][C][S]",
"smiles": "CC(C)CS"
} | 2-methylpropane-1-thiol | [
{
"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-methylpropane-1-thiol",
"role": "assistant"
}
] |
23 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]",
"smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC"
} | dotriacontane | [
{
"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": "dotriacontane",
"role": "assistant"
}
] |
24 | {
"selfies": "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O]",
"smiles": "c1ccc2c(c1)Cc1ccccc1C2"
} | 9,10-dihydroanthracene | [
{
"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": "9,10-dihydroanthracene",
"role": "assistant"
}
] |
25 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][N][=O]",
"smiles": "CCOC(=O)N(CC)N=O"
} | ethyl N-ethyl-N-nitrosocarbamate | [
{
"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 N-ethyl-N-nitrosocarbamate",
"role": "assistant"
}
] |
26 | {
"selfies": "[O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br]",
"smiles": "Oc1ccc(Br)cc1Br"
} | 2,4-dibromophenol | [
{
"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-dibromophenol",
"role": "assistant"
}
] |
27 | {
"selfies": "[O][=C][C][=C][NH1][C][=C][Ring1][=Branch1]",
"smiles": "O=c1cc[nH]cc1"
} | 1H-pyridin-4-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": "1H-pyridin-4-one",
"role": "assistant"
}
] |
28 | {
"selfies": "[C][C][=C][C][Branch2][Ring1][Ring1][O][C][=C][Branch1][C][I][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][#Branch2][I][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][O]",
"smiles": "Cc1cc(Oc2c(I)cc(CCO)cc2I)cc(C)c1O"
} | 4-[4-(2-hydroxyethyl)-2,6-diiodophenoxy]-2,6-dimethylphenol | [
{
"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": "4-[4-(2-hydroxyethyl)-2,6-diiodophenoxy]-2,6-dimethylphenol",
"role": "assistant"
}
] |
29 | {
"selfies": "[C][C][C][C][O][P][Branch1][Branch1][O][C][Ring1][=Branch1][O][C][Ring1][Branch2]",
"smiles": "CCC12COP(OC1)OC2"
} | 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane | [
{
"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-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane",
"role": "assistant"
}
] |
30 | {
"selfies": "[C][C][C][C][C][C][C][C][Branch1][C][Cl][C][C]",
"smiles": "CCCCCCCC(Cl)CC"
} | 3-chlorodecane | [
{
"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-chlorodecane",
"role": "assistant"
}
] |
31 | {
"selfies": "[C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "CN(C(=S)Oc1ccc2ccccc2c1)c1cccc2ccccc12"
} | O-naphthalen-2-yl N-methyl-N-naphthalen-1-ylcarbamothioate | [
{
"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": "O-naphthalen-2-yl N-methyl-N-naphthalen-1-ylcarbamothioate",
"role": "assistant"
}
] |
32 | {
"selfies": "[C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][S]",
"smiles": "Cc1cc(C(=O)NNCc2ccccc2)on1"
} | N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide | [
{
"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'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide",
"role": "assistant"
}
] |
33 | {
"selfies": "[C][Si][Branch1][C][Cl][Branch1][C][Cl][C][C][C][C][#N]",
"smiles": "C[Si](Cl)(Cl)CCCC#N"
} | 4-[dichloro(methyl)silyl]butanenitrile | [
{
"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-[dichloro(methyl)silyl]butanenitrile",
"role": "assistant"
}
] |
34 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]",
"smiles": "c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1"
} | 4-tritylmorpholine | [
{
"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": "4-tritylmorpholine",
"role": "assistant"
}
] |
35 | {
"selfies": "[C][=C][Branch1][Ring1][C][C][C][C][C][C]",
"smiles": "C=C(CC)CCCC"
} | 3-methylideneheptane | [
{
"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-methylideneheptane",
"role": "assistant"
}
] |
36 | {
"selfies": "[C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "C=CC(=O)OC(C)(C)C"
} | tert-butyl prop-2-enoate | [
{
"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": "tert-butyl prop-2-enoate",
"role": "assistant"
}
] |
37 | {
"selfies": "[N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][S][=O]",
"smiles": "NC(=O)Cn1c(=O)n(CC(N)=O)c(=O)n(CC(N)=O)c1=O"
} | 2-[3,5-bis(2-amino-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetamide | [
{
"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": "2-[3,5-bis(2-amino-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetamide",
"role": "assistant"
}
] |
38 | {
"selfies": "[N][#C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][O][Cl]",
"smiles": "N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl"
} | 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile | [
{
"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": "2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile",
"role": "assistant"
}
] |
39 | {
"selfies": "[C][C][Branch1][Ring1][C][Cl][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"smiles": "CC(CCl)OC(=O)Nc1cccc(Cl)c1"
} | 1-chloropropan-2-yl N-(3-chlorophenyl)carbamate | [
{
"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-chloropropan-2-yl N-(3-chlorophenyl)carbamate",
"role": "assistant"
}
] |
40 | {
"selfies": "[N][C][=Branch1][C][=O][N][Hg][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NC(=O)N[Hg]c1ccccc1"
} | (carbamoylamino)-phenylmercury | [
{
"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": "(carbamoylamino)-phenylmercury",
"role": "assistant"
}
] |
45 | {
"selfies": "[Cl][C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]",
"smiles": "Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1"
} | 2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine | [
{
"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-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine",
"role": "assistant"
}
] |
46 | {
"selfies": "[N][C][Branch1][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][=N][O]",
"smiles": "NC(CCN1CCCCCC1)=NO"
} | 3-(azepan-1-yl)-N'-hydroxypropanimidamide | [
{
"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-(azepan-1-yl)-N'-hydroxypropanimidamide",
"role": "assistant"
}
] |
47 | {
"selfies": "[C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring2][Ring1][#Branch1]",
"smiles": "CCOc1ccc(Oc2nc3ccccc3n2CCN(CC)CC)cc1"
} | 2-[2-(4-ethoxyphenoxy)benzimidazol-1-yl]-N,N-diethylethanamine | [
{
"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-(4-ethoxyphenoxy)benzimidazol-1-yl]-N,N-diethylethanamine",
"role": "assistant"
}
] |
49 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]",
"smiles": "CC(=O)Oc1ccccc1Cl"
} | (2-chlorophenyl) acetate | [
{
"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-chlorophenyl) acetate",
"role": "assistant"
}
] |
50 | {
"selfies": "[C][C][Branch2][Ring1][O][C][C][=C][NH1][C][=C][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Ring1][=C][N][Branch1][C][C][C]",
"smiles": "CC(Cc1c[nH]c2ccc(SCc3ccccc3)cc12)N(C)C"
} | 1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-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": "1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-2-amine",
"role": "assistant"
}
] |
51 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]",
"smiles": "CCN(CC)CCN(c1ccccc1)C(C)C"
} | N,N-diethyl-N'-phenyl-N'-propan-2-ylethane-1,2-diamine | [
{
"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,N-diethyl-N'-phenyl-N'-propan-2-ylethane-1,2-diamine",
"role": "assistant"
}
] |
52 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O]",
"smiles": "CCOC(=O)N(CCCl)N=O"
} | ethyl N-(2-chloroethyl)-N-nitrosocarbamate | [
{
"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": "ethyl N-(2-chloroethyl)-N-nitrosocarbamate",
"role": "assistant"
}
] |
53 | {
"selfies": "[Cl][Fe][Cl]",
"smiles": "Cl[Fe]Cl"
} | dichloroiron | [
{
"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": "dichloroiron",
"role": "assistant"
}
] |
54 | {
"selfies": "[C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][P]",
"smiles": "COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1"
} | [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate",
"role": "assistant"
}
] |
56 | {
"selfies": "[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]",
"smiles": "Oc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCCC2)cc1"
} | 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol | [
{
"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": "6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol",
"role": "assistant"
}
] |
57 | {
"selfies": "[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C]",
"smiles": "CC(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1"
} | 1-[4-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone | [
{
"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-[4-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone",
"role": "assistant"
}
] |
58 | {
"selfies": "[N][#C][C][Branch1][Ring1][C][#N][=C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "N#CC(C#N)=CC#Cc1ccccc1"
} | 2-(3-phenylprop-2-ynylidene)propanedinitrile | [
{
"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-phenylprop-2-ynylidene)propanedinitrile",
"role": "assistant"
}
] |
60 | {
"selfies": "[C][=C][C][C][=C][C][=C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][=C][Ring1][=N]",
"smiles": "C=CCc1ccc(OC(=O)NC)c(OC)c1"
} | (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate | [
{
"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-methoxy-4-prop-2-enylphenyl) N-methylcarbamate",
"role": "assistant"
}
] |
61 | {
"selfies": "[C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "COc1cc(N)ccc1OCCCCCc1ccccc1"
} | 3-methoxy-4-(5-phenylpentoxy)aniline | [
{
"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-methoxy-4-(5-phenylpentoxy)aniline",
"role": "assistant"
}
] |
62 | {
"selfies": "[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]",
"smiles": "CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1C(=O)OCc1ccccc1)C(C)C"
} | 1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate | [
{
"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-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate",
"role": "assistant"
}
] |
64 | {
"selfies": "[C][C][O][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]",
"smiles": "CCOCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O"
} | 2-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-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-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-dione",
"role": "assistant"
}
] |
65 | {
"selfies": "[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2]",
"smiles": "COc1ccc2c(c1)OC(C)(C)C=C2"
} | 7-methoxy-2,2-dimethylchromene | [
{
"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": "7-methoxy-2,2-dimethylchromene",
"role": "assistant"
}
] |
66 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCCCCCCCCCCCCCCCCCCC(=O)OCC"
} | ethyl icosanoate | [
{
"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": "ethyl icosanoate",
"role": "assistant"
}
] |
68 | {
"selfies": "[C][C][C][C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][Ring1][=Branch2]",
"smiles": "CCCC1COC(C(C)C)OC1"
} | 2-propan-2-yl-5-propyl-1,3-dioxane | [
{
"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-propan-2-yl-5-propyl-1,3-dioxane",
"role": "assistant"
}
] |
69 | {
"selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][O]",
"smiles": "CS(=O)(=O)OCCO"
} | 2-hydroxyethyl methanesulfonate | [
{
"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-hydroxyethyl methanesulfonate",
"role": "assistant"
}
] |
70 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCOC(=O)C(C)(CCOC)C(=O)OCC"
} | diethyl 2-(2-methoxyethyl)-2-methylpropanedioate | [
{
"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": "diethyl 2-(2-methoxyethyl)-2-methylpropanedioate",
"role": "assistant"
}
] |
72 | {
"selfies": "[C][C][S][C][C][Branch1][C][N][C][=Branch1][C][=O][O]",
"smiles": "CCSCC(N)C(=O)O"
} | 2-amino-3-ethylsulfanylpropanoic acid | [
{
"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-amino-3-ethylsulfanylpropanoic acid",
"role": "assistant"
}
] |
73 | {
"selfies": "[C][C][C][C][C][C][C][C][C][=O]",
"smiles": "CCCCCCCCC=O"
} | nonanal | [
{
"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": "nonanal",
"role": "assistant"
}
] |
78 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1]",
"smiles": "COc1ccccc1N1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1"
} | 3-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-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": "3-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one",
"role": "assistant"
}
] |
79 | {
"selfies": "[C][N][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][=C][Ring1][#Branch2]",
"smiles": "CNc1cccc2c(OC)c(OC)ccc12"
} | 5,6-dimethoxy-N-methylnaphthalen-1-amine | [
{
"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": "5,6-dimethoxy-N-methylnaphthalen-1-amine",
"role": "assistant"
}
] |
80 | {
"selfies": "[C][C][C][C][As][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCCC[As](Sc1ccccc1)c1ccccc1"
} | butyl-phenyl-phenylsulfanylarsane | [
{
"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": "butyl-phenyl-phenylsulfanylarsane",
"role": "assistant"
}
] |
81 | {
"selfies": "[C][C][C][N][Branch1][Ring2][C][C][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][Ring1][=C]",
"smiles": "CCCN(CCC)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1"
} | N,N-dipropyl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine | [
{
"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,N-dipropyl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine",
"role": "assistant"
}
] |
82 | {
"selfies": "[C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C]",
"smiles": "CCCCC(=O)C=C(C)OC"
} | 2-methoxyoct-2-en-4-one | [
{
"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-methoxyoct-2-en-4-one",
"role": "assistant"
}
] |
83 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"smiles": "CCN(CC)C(=O)CC(O)C(Cl)(Cl)Cl"
} | 4,4,4-trichloro-N,N-diethyl-3-hydroxybutanamide | [
{
"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": "4,4,4-trichloro-N,N-diethyl-3-hydroxybutanamide",
"role": "assistant"
}
] |
85 | {
"selfies": "[N-1][=N+1][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][Ring1][Branch2]",
"smiles": "[N-]=[N+]=Cc1nc(N)nc(N)n1"
} | 6-(diazomethyl)-1,3,5-triazine-2,4-diamine | [
{
"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": "6-(diazomethyl)-1,3,5-triazine-2,4-diamine",
"role": "assistant"
}
] |
86 | {
"selfies": "[C][S][C][Branch1][Ring1][S][C][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][=N][Ring1][#Branch2]",
"smiles": "CSC(SC)c1nc(C)nc(C(Cl)Cl)n1"
} | 2-[bis(methylsulfanyl)methyl]-4-(dichloromethyl)-6-methyl-1,3,5-triazine | [
{
"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-[bis(methylsulfanyl)methyl]-4-(dichloromethyl)-6-methyl-1,3,5-triazine",
"role": "assistant"
}
] |
87 | {
"selfies": "[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Cl]",
"smiles": "O=C(C=Cc1ccccc1)NCCCl"
} | N-(2-chloroethyl)-3-phenylprop-2-enamide | [
{
"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-chloroethyl)-3-phenylprop-2-enamide",
"role": "assistant"
}
] |
88 | {
"selfies": "[C][C][C][C][O][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][Ring1][O]",
"smiles": "CCCCOc1nc(C)nc(C(Cl)(Cl)Cl)n1"
} | 2-butoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine | [
{
"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-butoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine",
"role": "assistant"
}
] |
91 | {
"selfies": "[C][=C][Branch1][C][C][C][N][C][C][C][=C][Branch1][C][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=N][Ring1][=Branch2]",
"smiles": "C=C(C)CNCCc1c(C)[nH]c2ccc(OC)c(C)c12"
} | N-[2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-methylprop-2-en-1-amine | [
{
"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-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-methylprop-2-en-1-amine",
"role": "assistant"
}
] |
93 | {
"selfies": "[C][O][C][=C][C][Branch1][=C][C][=C][C][=Branch1][C][=O][N][C][C][C][O][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C]",
"smiles": "COc1cc(C=CC(=O)N2CCCO2)cc(OC)c1OC"
} | 1-(1,2-oxazolidin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-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": "1-(1,2-oxazolidin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",
"role": "assistant"
}
] |
94 | {
"selfies": "[C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][N][=C][N][=C][Ring1][Branch1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring2][Ring1][C][=Ring1][#Branch1]",
"smiles": "Cc1cc(N(C)C)c2ncnc-2c2nc(N)n(C)c12"
} | 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine | [
{
"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-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine",
"role": "assistant"
}
] |
96 | {
"selfies": "[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "O=C(c1ccccc1)N(O)CN1CCOCC1"
} | N-hydroxy-N-(morpholin-4-ylmethyl)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-hydroxy-N-(morpholin-4-ylmethyl)benzamide",
"role": "assistant"
}
] |
97 | {
"selfies": "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "Cc1cccc2c1C(=O)N(C)C(C)C2c1ccccc1"
} | (3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-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": "(3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one",
"role": "assistant"
}
] |
98 | {
"selfies": "[C][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Ring1][#Branch1]",
"smiles": "CCC1(C)COC(=O)C1"
} | 4-ethyl-4-methyloxolan-2-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": "4-ethyl-4-methyloxolan-2-one",
"role": "assistant"
}
] |
100 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCOC(=O)C(CN1CCCCC1)(C(=O)OCC)c1ccccc1"
} | diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate | [
{
"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": "diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate",
"role": "assistant"
}
] |
102 | {
"selfies": "[C][C][Branch1][Ring1][C][=O][=C][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CC(C=O)=CC(C)(C)C"
} | 2,4,4-trimethylpent-2-enal | [
{
"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": "2,4,4-trimethylpent-2-enal",
"role": "assistant"
}
] |
104 | {
"selfies": "[C][N][Branch1][#Branch2][S][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]",
"smiles": "CN(SN1CCOCC1)C(=O)Oc1cccc2c1OC(C)(C)C2"
} | (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate | [
{
"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-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate",
"role": "assistant"
}
] |
105 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][Branch1][Ring1][C][O][=N][NH1][C][=Branch1][C][=O][C][Ring1][=Branch2][=C][Ring1][=C][C]",
"smiles": "CCOC(=O)c1c(C)cc2c(CO)n[nH]c(=O)c2c1C"
} | ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate | [
{
"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": "ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate",
"role": "assistant"
}
] |
106 | {
"selfies": "[C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Ring1][=N][C]",
"smiles": "CC1(C)C(=O)CCC2CC(=O)CCC21C"
} | 4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-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 of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione",
"role": "assistant"
}
] |
107 | {
"selfies": "[C][#C][C][O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]",
"smiles": "C#CCOC(C)n1ccc2ccccc21"
} | 1-(1-prop-2-ynoxyethyl)indole | [
{
"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-(1-prop-2-ynoxyethyl)indole",
"role": "assistant"
}
] |
108 | {
"selfies": "[C][C][=C][C][=C][C][Branch1][N][O][C][=Branch1][C][=O][N][Branch1][C][C][N][=O][=C][Ring1][=N]",
"smiles": "Cc1cccc(OC(=O)N(C)N=O)c1"
} | (3-methylphenyl) N-methyl-N-nitrosocarbamate | [
{
"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-methylphenyl) N-methyl-N-nitrosocarbamate",
"role": "assistant"
}
] |
109 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S][C][N][C][C][C][C][C][Ring1][=Branch1]",
"smiles": "COc1ccc(C(=O)c2ccccc2)c(OC)c1CN1CCCCC1"
} | [2,4-dimethoxy-3-(piperidin-1-ylmethyl)phenyl]-phenylmethanone | [
{
"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": "[2,4-dimethoxy-3-(piperidin-1-ylmethyl)phenyl]-phenylmethanone",
"role": "assistant"
}
] |
111 | {
"selfies": "[C][C][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]",
"smiles": "CC(C)NCC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl"
} | N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]-2-(propan-2-ylamino)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": "N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide",
"role": "assistant"
}
] |
112 | {
"selfies": "[C][N][C][C][N][Branch2][Ring1][Branch1][C][=C][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][C]",
"smiles": "CN1CCN(c2c(N)c(=O)oc3ccccc23)CC1"
} | 3-amino-4-(4-methylpiperazin-1-yl)chromen-2-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": "3-amino-4-(4-methylpiperazin-1-yl)chromen-2-one",
"role": "assistant"
}
] |
113 | {
"selfies": "[O][=C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(O)C(Cl)(Cl)c1ccccc1"
} | 2,2-dichloro-2-phenylacetic 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": "2,2-dichloro-2-phenylacetic acid",
"role": "assistant"
}
] |
114 | {
"selfies": "[O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][C][C][N][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][F]",
"smiles": "Oc1cccc(F)c1C=NCCN=Cc1c(O)cccc1F"
} | 3-fluoro-2-[2-[(2-fluoro-6-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol | [
{
"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-fluoro-2-[2-[(2-fluoro-6-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol",
"role": "assistant"
}
] |
115 | {
"selfies": "[O][=C][Branch1][#Branch2][N][N][=C][S][C][C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(NN=C1SCCS1)c1ccccc1"
} | N-(1,3-dithiolan-2-ylideneamino)benzamide | [
{
"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-(1,3-dithiolan-2-ylideneamino)benzamide",
"role": "assistant"
}
] |
119 | {
"selfies": "[C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1]",
"smiles": "CCCCCCOc1ccc(NC(=O)OC(C)CN(CC)CC)c(C)c1"
} | 1-(diethylamino)propan-2-yl N-(4-hexoxy-2-methylphenyl)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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "1-(diethylamino)propan-2-yl N-(4-hexoxy-2-methylphenyl)carbamate",
"role": "assistant"
}
] |
120 | {
"selfies": "[C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][=C][Ring1][N]",
"smiles": "CN(C)C(=O)Oc1ccc([N+](C)(C)CCO)cc1"
} | [4-(dimethylcarbamoyloxy)phenyl]-(2-hydroxyethyl)-dimethylazanium | [
{
"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-(dimethylcarbamoyloxy)phenyl]-(2-hydroxyethyl)-dimethylazanium",
"role": "assistant"
}
] |
122 | {
"selfies": "[C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CC(=O)N(C(C)=O)C(C)(C)C"
} | N-acetyl-N-tert-butylacetamide | [
{
"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-acetyl-N-tert-butylacetamide",
"role": "assistant"
}
] |
123 | {
"selfies": "[C][N][Branch1][C][C][C][C][C][C][C][C][Branch1][N][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][Br][C][Ring1][O]",
"smiles": "CN(C)CC12CC3CC(CC(C3)C1Br)C2"
} | 1-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine | [
{
"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-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine",
"role": "assistant"
}
] |
124 | {
"selfies": "[O][C][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1][O]",
"smiles": "OC1C=Cc2cc3c4ccccc4c4ccccc4c3cc2C1O"
} | (11S)-10,11-dihydrobenzo[b]triphenylene-10,11-diol | [
{
"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": "(11S)-10,11-dihydrobenzo[b]triphenylene-10,11-diol",
"role": "assistant"
}
] |
126 | {
"selfies": "[C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2]",
"smiles": "CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1"
} | [cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate | [
{
"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": "[cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate",
"role": "assistant"
}
] |
127 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O]",
"smiles": "COc1cccc(C[N+](C)(C)C)c1"
} | (3-methoxyphenyl)methyl-trimethylazanium | [
{
"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-methoxyphenyl)methyl-trimethylazanium",
"role": "assistant"
}
] |
128 | {
"selfies": "[C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl]",
"smiles": "C=Cc1cc(Cl)c(Cl)c(Cl)c1Cl"
} | 1,2,3,4-tetrachloro-5-ethenylbenzene | [
{
"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": "1,2,3,4-tetrachloro-5-ethenylbenzene",
"role": "assistant"
}
] |
130 | {
"selfies": "[C][O][C][=C][C][Branch1][Ring2][C][=N][O][=C][C][Branch1][C][I][=C][Ring1][#Branch2][O]",
"smiles": "COc1cc(C=NO)cc(I)c1O"
} | 4-(hydroxyiminomethyl)-2-iodo-6-methoxyphenol | [
{
"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-(hydroxyiminomethyl)-2-iodo-6-methoxyphenol",
"role": "assistant"
}
] |
131 | {
"selfies": "[C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)CCc1ccccc1"
} | 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3-phenylpropanoate | [
{
"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-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3-phenylpropanoate",
"role": "assistant"
}
] |
End of preview. Expand
in Dataset Viewer.
README.md exists but content is empty.
- Downloads last month
- 36
Size of downloaded dataset files:
47.3 MB
Size of the auto-converted Parquet files:
47.3 MB
Number of rows:
278,214