id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
609 | {
"selfies": "[C][N][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N]",
"smiles": "CN(C)c1ccc(CN2CCCCC2)cc1"
} | N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline | [
{
"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": "N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline",
"role": "assistant"
}
] |
610 | {
"selfies": "[C][C][N][Branch2][#Branch1][C][P][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][P][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][P][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][P][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Branch1][C][C][C][O][Ring2][Branch1][Branch2]",
"smiles": "C1CN(P2(N3CCOCC3)=NP(N3CCOCC3)(N3CCOCC3)=NP(N3CCOCC3)(N3CCOCC3)=NP(N3CCOCC3)(N3CCOCC3)=N2)CCO1"
} | 4-(2,4,4,6,6,8,8-heptamorpholin-4-yl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl)morpholine | [
{
"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": "4-(2,4,4,6,6,8,8-heptamorpholin-4-yl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl)morpholine",
"role": "assistant"
}
] |
611 | {
"selfies": "[O][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]",
"smiles": "OCCN1CCc2ccccc2C1"
} | 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol | [
{
"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-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol",
"role": "assistant"
}
] |
612 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][P][Branch1][=Branch2][C][N][Branch1][Ring1][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C]",
"smiles": "CCN(CC)CP(CN(CC)CC)CN(CC)CC"
} | N-[bis(diethylaminomethyl)phosphanylmethyl]-N-ethylethanamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "N-[bis(diethylaminomethyl)phosphanylmethyl]-N-ethylethanamine",
"role": "assistant"
}
] |
613 | {
"selfies": "[O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][O]",
"smiles": "OC1Cc2ccccc2CC1O"
} | 1,2,3,4-tetrahydronaphthalene-2,3-diol | [
{
"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": "1,2,3,4-tetrahydronaphthalene-2,3-diol",
"role": "assistant"
}
] |
614 | {
"selfies": "[O][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Ring1][N][C][Branch1][C][Cl][Cl]",
"smiles": "O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(Cl)Cl"
} | 2,2-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide | [
{
"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-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide",
"role": "assistant"
}
] |
615 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][=C][Branch1][#C][N][N][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][Ring1][#C][C][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O]",
"smiles": "Cn1c(=O)c2c(nc(NN=Cc3cccc(Br)c3)n2C)n(C)c1=O"
} | 8-[2-[(3-bromophenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "8-[2-[(3-bromophenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione",
"role": "assistant"
}
] |
616 | {
"selfies": "[N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][N][C][Branch1][C][N][=O]",
"smiles": "NC(=O)NCCCCCCCCCCNC(N)=O"
} | 10-(carbamoylamino)decylurea | [
{
"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": "10-(carbamoylamino)decylurea",
"role": "assistant"
}
] |
617 | {
"selfies": "[O][C][C][C][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "OCCCNCc1ccccn1"
} | 3-(pyridin-2-ylmethylamino)propan-1-ol | [
{
"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-(pyridin-2-ylmethylamino)propan-1-ol",
"role": "assistant"
}
] |
618 | {
"selfies": "[N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2]",
"smiles": "NC(CO)C(=O)NC1(C(=O)O)CCCC1"
} | 1-[(2-amino-3-hydroxypropanoyl)amino]cyclopentane-1-carboxylic 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": "1-[(2-amino-3-hydroxypropanoyl)amino]cyclopentane-1-carboxylic acid",
"role": "assistant"
}
] |
619 | {
"selfies": "[C][C][Branch1][C][C][C][Branch1][=Branch2][C][=N][N][=C][Branch1][C][N][N][=N][N][=C][Branch1][C][N][N]",
"smiles": "CC(C)C(C=NN=C(N)N)=NN=C(N)N"
} | 2-[[1-(diaminomethylidenehydrazinylidene)-3-methylbutan-2-ylidene]amino]guanidine | [
{
"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-(diaminomethylidenehydrazinylidene)-3-methylbutan-2-ylidene]amino]guanidine",
"role": "assistant"
}
] |
620 | {
"selfies": "[C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N]",
"smiles": "Cc1cccnc1NN"
} | (3-methylpyridin-2-yl)hydrazine | [
{
"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-methylpyridin-2-yl)hydrazine",
"role": "assistant"
}
] |
621 | {
"selfies": "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][O]",
"smiles": "CN(C)C(=O)c1cc(Cl)cc(-c2ccccc2)c1O"
} | 5-chloro-2-hydroxy-N,N-dimethyl-3-phenylbenzamide | [
{
"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-chloro-2-hydroxy-N,N-dimethyl-3-phenylbenzamide",
"role": "assistant"
}
] |
622 | {
"selfies": "[C][N][C][C][N][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][P]",
"smiles": "CN1CCN(CSc2nc3ccccc3s2)CC1"
} | 2-[(4-methylpiperazin-1-yl)methylsulfanyl]-1,3-benzothiazole | [
{
"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-methylpiperazin-1-yl)methylsulfanyl]-1,3-benzothiazole",
"role": "assistant"
}
] |
623 | {
"selfies": "[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(c1ccccc1)C(Nc1ccc(Cl)cc1)c1ccccc1"
} | 2-(4-chloroanilino)-1,2-diphenylethanone | [
{
"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-chloroanilino)-1,2-diphenylethanone",
"role": "assistant"
}
] |
624 | {
"selfies": "[C][O][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][=O]",
"smiles": "COC1=C(N(C)C)C(=O)c2cccnc2C1=O"
} | 6-(dimethylamino)-7-methoxyquinoline-5,8-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": "6-(dimethylamino)-7-methoxyquinoline-5,8-dione",
"role": "assistant"
}
] |
625 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring1][S][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][C][Ring1][=Branch2][Branch1][C][C][C][C][C][Ring1][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1]",
"smiles": "CC(=O)OC1CCC2(C)C(CCC3C4CC(=O)N(O)C(=O)C4(C)CCC32)C1"
} | [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-2-hydroxy-10a,12a-dimethyl-1,3-dioxo-4a,4b,5,6,6a,7,8,9,10,10b,11,12-dodecahydro-4H-naphtho[2,1-f]isoquinolin-8-yl] acetate | [
{
"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": "[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-2-hydroxy-10a,12a-dimethyl-1,3-dioxo-4a,4b,5,6,6a,7,8,9,10,10b,11,12-dodecahydro-4H-naphtho[2,1-f]isoquinolin-8-yl] acetate",
"role": "assistant"
}
] |
626 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][O]",
"smiles": "COc1ccc2c3c(cnc2c1)C(=O)CCC3"
} | 3-methoxy-9,10-dihydro-8H-phenanthridin-7-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "3-methoxy-9,10-dihydro-8H-phenanthridin-7-one",
"role": "assistant"
}
] |
627 | {
"selfies": "[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "Oc1ccccc1C(c1ccccc1)N1CCOCC1"
} | 2-[morpholin-4-yl(phenyl)methyl]phenol | [
{
"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-[morpholin-4-yl(phenyl)methyl]phenol",
"role": "assistant"
}
] |
628 | {
"selfies": "[C][C][C][C][C][C][C][=C][C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][=Branch2][As][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][#Branch2][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][O]",
"smiles": "CCCCCCc1cc(N=Nc2ccc([As](=O)(O)O)cc2)c(O)cc1O"
} | [4-[(5-hexyl-2,4-dihydroxyphenyl)diazenyl]phenyl]arsonic 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-hexyl-2,4-dihydroxyphenyl)diazenyl]phenyl]arsonic acid",
"role": "assistant"
}
] |
629 | {
"selfies": "[C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][C][Ring1][O][C][Ring1][#C][C][C][C][Ring2][Ring1][C][O]",
"smiles": "CC12CCC3C4CCC(O)CC4CCC3C1CCC2O"
} | (3R,5R,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol | [
{
"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": "(3R,5R,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol",
"role": "assistant"
}
] |
630 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][N+1][Branch1][C][O-1][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]",
"smiles": "O=[N+]([O-])c1ccc(C=Cc2c[n+]([O-])nc3ccccc23)cc1"
} | 4-[2-(4-nitrophenyl)ethenyl]-2-oxidocinnolin-2-ium | [
{
"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-[2-(4-nitrophenyl)ethenyl]-2-oxidocinnolin-2-ium",
"role": "assistant"
}
] |
631 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][=N][NH1][N][=Ring1][Branch1]",
"smiles": "CCCCCCCCCCc1cn[nH]n1"
} | 4-decyl-2H-triazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "4-decyl-2H-triazole",
"role": "assistant"
}
] |
632 | {
"selfies": "[N][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O]",
"smiles": "NCC(=O)NC(Cc1ccc(O)cc1)C(N)=O"
} | 2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanamide | [
{
"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-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanamide",
"role": "assistant"
}
] |
633 | {
"selfies": "[C][C][C][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][#Branch2]",
"smiles": "CCC1=C(c2ccc(OC(C)=O)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc21"
} | [4-(7-acetyloxy-4-ethyl-2,2-dimethylchromen-3-yl)phenyl] acetate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "[4-(7-acetyloxy-4-ethyl-2,2-dimethylchromen-3-yl)phenyl] acetate",
"role": "assistant"
}
] |
634 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][S][C][C]",
"smiles": "CCOC(=O)C1C(=O)NC(C(=O)OCC)(C(=O)OCC)C1CC"
} | triethyl 3-ethyl-5-oxopyrrolidine-2,2,4-tricarboxylate | [
{
"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": "triethyl 3-ethyl-5-oxopyrrolidine-2,2,4-tricarboxylate",
"role": "assistant"
}
] |
635 | {
"selfies": "[C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring2][Ring1][C]",
"smiles": "c1ccc2c3c(ccc2c1)Sc1c(ccc2ccccc12)N3"
} | 2-thia-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene | [
{
"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-thia-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene",
"role": "assistant"
}
] |
636 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][C][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]",
"smiles": "CC(=O)Nc1ccc(CCCCCc2ccc(NC(C)=O)cc2)cc1"
} | N-[4-[5-(4-acetamidophenyl)pentyl]phenyl]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-[4-[5-(4-acetamidophenyl)pentyl]phenyl]acetamide",
"role": "assistant"
}
] |
638 | {
"selfies": "[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][O]",
"smiles": "Cc1nc2ccccc2nc1CCC(=O)O"
} | 3-(3-methylquinoxalin-2-yl)propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "3-(3-methylquinoxalin-2-yl)propanoic acid",
"role": "assistant"
}
] |
639 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring2][Ring1][N]",
"smiles": "c1ccc(C2=Nc3ccccc3-c3ccccc3N=C2c2ccccn2)nc1"
} | 9,10-dipyridin-2-yl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene | [
{
"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": "9,10-dipyridin-2-yl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene",
"role": "assistant"
}
] |
640 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2]",
"smiles": "CCOC(=O)C=CC(=O)Nc1ccc(C(=O)O)c(O)c1"
} | 4-[(4-ethoxy-4-oxobut-2-enoyl)amino]-2-hydroxybenzoic 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": "4-[(4-ethoxy-4-oxobut-2-enoyl)amino]-2-hydroxybenzoic acid",
"role": "assistant"
}
] |
641 | {
"selfies": "[C][=C][C][O][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N]",
"smiles": "C=CCOc1ccnc(-c2ccccc2)n1"
} | 2-phenyl-4-prop-2-enoxypyrimidine | [
{
"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-phenyl-4-prop-2-enoxypyrimidine",
"role": "assistant"
}
] |
642 | {
"selfies": "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C]",
"smiles": "Cc1ccccc1N1CCN(C(=O)c2ccccc2)CC1"
} | [4-(2-methylphenyl)piperazin-1-yl]-phenylmethanone | [
{
"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": "[4-(2-methylphenyl)piperazin-1-yl]-phenylmethanone",
"role": "assistant"
}
] |
643 | {
"selfies": "[O][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][C][C][C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "O=C(O)C(CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"
} | 2,6-bis(2,4-dinitroanilino)hexanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2,6-bis(2,4-dinitroanilino)hexanoic acid",
"role": "assistant"
}
] |
644 | {
"selfies": "[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=S][O][C][Ring1][=Branch1][Ring1][O]",
"smiles": "Nc1ncnc2c1ncn2C1OC(CO)C2OC(=S)OC21"
} | 4-(6-aminopurin-9-yl)-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione | [
{
"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-(6-aminopurin-9-yl)-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione",
"role": "assistant"
}
] |
645 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][#Branch2][C][=N][N][C][=Branch1][C][=O][N][N][C][=C][Ring1][=N]",
"smiles": "CCN(CC)c1ccc(C=NNC(=O)NN)cc1"
} | 1-amino-3-[[4-(diethylamino)phenyl]methylideneamino]urea | [
{
"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-amino-3-[[4-(diethylamino)phenyl]methylideneamino]urea",
"role": "assistant"
}
] |
646 | {
"selfies": "[C][=C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "C=CCNc1ccccn1"
} | N-prop-2-enylpyridin-2-amine | [
{
"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-prop-2-enylpyridin-2-amine",
"role": "assistant"
}
] |
647 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring1][C][=O][C][C][C][=O][C][=C][Ring1][=N]",
"smiles": "CCOC(=O)c1ccc(N(C=O)CCC=O)cc1"
} | ethyl 4-[formyl(3-oxopropyl)amino]benzoate | [
{
"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 4-[formyl(3-oxopropyl)amino]benzoate",
"role": "assistant"
}
] |
648 | {
"selfies": "[N][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#Branch2]",
"smiles": "Nc1c(Br)c(Br)cc2c1-c1ccc(Br)cc1C2"
} | 2,3,7-tribromo-9H-fluoren-4-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": "2,3,7-tribromo-9H-fluoren-4-amine",
"role": "assistant"
}
] |
649 | {
"selfies": "[C][C][N][=C][Branch2][=Branch1][C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][Ring2][=N][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][Cl][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][Branch1][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][Cl]",
"smiles": "CCN=C(c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCC)N(CC)C(=O)NCCCl)cc3)cc2)cc1)N(CC)C(=O)NCCCl"
} | 1-N,4-N-bis[4-[N-(2-chloroethylcarbamoyl)-N,N'-diethylcarbamimidoyl]phenyl]benzene-1,4-dicarboxamide | [
{
"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-N,4-N-bis[4-[N-(2-chloroethylcarbamoyl)-N,N'-diethylcarbamimidoyl]phenyl]benzene-1,4-dicarboxamide",
"role": "assistant"
}
] |
650 | {
"selfies": "[O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][C][Br][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][Br]",
"smiles": "O=C(c1ccco1)c1c(Br)cc(-c2ccccc2)cc1Br"
} | (2,6-dibromo-4-phenylphenyl)-(furan-2-yl)methanone | [
{
"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": "(2,6-dibromo-4-phenylphenyl)-(furan-2-yl)methanone",
"role": "assistant"
}
] |
651 | {
"selfies": "[C][N][C][Branch1][C][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=S]",
"smiles": "Cn1c(N)c(N)c(=O)n(C)c1=S"
} | 5,6-diamino-1,3-dimethyl-2-sulfanylidenepyrimidin-4-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": "5,6-diamino-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one",
"role": "assistant"
}
] |
652 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][I][C][=C][Ring1][Branch2][C]",
"smiles": "COC(=O)c1c(C)cc(I)cc1C"
} | methyl 4-iodo-2,6-dimethylbenzoate | [
{
"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": "methyl 4-iodo-2,6-dimethylbenzoate",
"role": "assistant"
}
] |
653 | {
"selfies": "[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(O)CNC(=O)N=Nc1ccccc1"
} | 2-(phenyliminocarbamoylamino)acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "2-(phenyliminocarbamoylamino)acetic acid",
"role": "assistant"
}
] |
654 | {
"selfies": "[C][C][=Branch2][Ring1][#Branch1][=N][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][Cl]",
"smiles": "CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C(C)(C)Cl"
} | N-[(4-chloro-3,4-dimethylpentan-2-ylidene)amino]-2,4-dinitroaniline | [
{
"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-[(4-chloro-3,4-dimethylpentan-2-ylidene)amino]-2,4-dinitroaniline",
"role": "assistant"
}
] |
655 | {
"selfies": "[O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][=C][Ring2][Ring1][N]",
"smiles": "OC1(c2cccc3ccccc23)CCCc2cc3c(ccc4ccccc43)cc21"
} | 8-naphthalen-1-yl-10,11-dihydro-9H-benzo[a]anthracen-8-ol | [
{
"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": "8-naphthalen-1-yl-10,11-dihydro-9H-benzo[a]anthracen-8-ol",
"role": "assistant"
}
] |
656 | {
"selfies": "[O][=C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Ring1][=N]",
"smiles": "O=C1NC(=O)C(c2cccc(O)c2)N1"
} | 5-(3-hydroxyphenyl)imidazolidine-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "5-(3-hydroxyphenyl)imidazolidine-2,4-dione",
"role": "assistant"
}
] |
657 | {
"selfies": "[C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]",
"smiles": "CC(=O)ON1C(=O)c2ccccc2C1=O"
} | (1,3-dioxoisoindol-2-yl) acetate | [
{
"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-dioxoisoindol-2-yl) acetate",
"role": "assistant"
}
] |
658 | {
"selfies": "[N][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][N][=C][Ring1][=N][N][=C][Ring1][P][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]",
"smiles": "Nc1nc2nc(-c3ccccc3)nc(N)c2nc1-c1ccc(N(CCCl)CCCl)cc1"
} | 6-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylpteridine-4,7-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-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylpteridine-4,7-diamine",
"role": "assistant"
}
] |
659 | {
"selfies": "[O][=C][Branch1][C][O][C][N][=N][S][C][=Ring1][Branch1][C][=C][S][N][=N][Ring1][Branch1]",
"smiles": "O=C(O)c1nnsc1-c1csnn1"
} | 5-(thiadiazol-4-yl)thiadiazole-4-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "5-(thiadiazol-4-yl)thiadiazole-4-carboxylic acid",
"role": "assistant"
}
] |
660 | {
"selfies": "[O][=N][N][C][=C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]",
"smiles": "O=Nn1cc(-c2cc3ccccc3n2N=O)c2ccccc21"
} | 1-nitroso-2-(1-nitrosoindol-3-yl)indole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "1-nitroso-2-(1-nitrosoindol-3-yl)indole",
"role": "assistant"
}
] |
661 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "COc1ccccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"
} | 1-(2-methoxyphenyl)-2,4-dinitrobenzene | [
{
"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-(2-methoxyphenyl)-2,4-dinitrobenzene",
"role": "assistant"
}
] |
662 | {
"selfies": "[O][=C][Branch1][Branch1][N][C][C][Cl][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2]",
"smiles": "O=C(NCCCl)NC1CCS(=O)(=O)CC1"
} | 1-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)urea | [
{
"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-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)urea",
"role": "assistant"
}
] |
663 | {
"selfies": "[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][Branch1][#C][N][=C][Branch1][Ring1][N][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][Ring2][Ring1][=Branch1]",
"smiles": "O=C1c2ccccc2-c2cc(Br)c(N=C(NO)C(F)(F)F)cc21"
} | N'-(3-bromo-9-oxofluoren-2-yl)-2,2,2-trifluoro-N-hydroxyethanimidamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "N'-(3-bromo-9-oxofluoren-2-yl)-2,2,2-trifluoro-N-hydroxyethanimidamide",
"role": "assistant"
}
] |
664 | {
"selfies": "[C][C][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][C][C][C][Ring1][Branch1]",
"smiles": "CC(C)(CO)CN1CCCC1"
} | 2,2-dimethyl-3-pyrrolidin-1-ylpropan-1-ol | [
{
"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": "2,2-dimethyl-3-pyrrolidin-1-ylpropan-1-ol",
"role": "assistant"
}
] |
665 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][S][Ring1][Branch1]",
"smiles": "CCOC(=O)NN=Cc1cccs1"
} | ethyl N-(thiophen-2-ylmethylideneamino)carbamate | [
{
"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": "ethyl N-(thiophen-2-ylmethylideneamino)carbamate",
"role": "assistant"
}
] |
666 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]",
"smiles": "CCOC(=O)C=C(CC(=O)OCC)Nc1ccc(C(=O)c2ccccc2)cc1"
} | diethyl 3-(4-benzoylanilino)pent-2-enedioate | [
{
"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": "diethyl 3-(4-benzoylanilino)pent-2-enedioate",
"role": "assistant"
}
] |
667 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]",
"smiles": "CC(=O)Nc1ccc(Cc2ccc(Br)cc2)cc1"
} | N-[4-[(4-bromophenyl)methyl]phenyl]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": "N-[4-[(4-bromophenyl)methyl]phenyl]acetamide",
"role": "assistant"
}
] |
668 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][O][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P]",
"smiles": "O=[N+]([O-])c1ccc(SNc2ccccc2)c([N+](=O)[O-])c1"
} | N-(2,4-dinitrophenyl)sulfanylaniline | [
{
"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-(2,4-dinitrophenyl)sulfanylaniline",
"role": "assistant"
}
] |
669 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][=N][Ring1][=Branch2][C][C][=Branch1][C][=O][O]",
"smiles": "COc1cccc2c1CCC1C(C)(C)C(=O)CCC21CC(=O)O"
} | 2-(8-methoxy-1,1-dimethyl-2-oxo-4,9,10,10a-tetrahydro-3H-phenanthren-4a-yl)acetic 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-(8-methoxy-1,1-dimethyl-2-oxo-4,9,10,10a-tetrahydro-3H-phenanthren-4a-yl)acetic acid",
"role": "assistant"
}
] |
670 | {
"selfies": "[C][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][Ring1][#C]",
"smiles": "Cc1ncc2c(n1)NC(c1ccc(Cl)c(Cl)c1)NC2"
} | 7-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine | [
{
"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": "7-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine",
"role": "assistant"
}
] |
671 | {
"selfies": "[C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][S][C][Ring1][Branch1][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC1(NC(=O)Cc2ccccc2)C(=O)N2CCSC21c1ccccc1"
} | N-[(5R,6R)-6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide | [
{
"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-[(5R,6R)-6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide",
"role": "assistant"
}
] |
672 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][=Branch2][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][Br][=C][Branch1][C][Br][C][Ring1][=C][Ring1][=Branch1]",
"smiles": "COC(=O)C1C2C=CC(C1C(=O)O)C1C(Br)=C(Br)C21"
} | 3,4-dibromo-8-methoxycarbonyltricyclo[4.2.2.02,5]deca-3,9-diene-7-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "3,4-dibromo-8-methoxycarbonyltricyclo[4.2.2.02,5]deca-3,9-diene-7-carboxylic acid",
"role": "assistant"
}
] |
673 | {
"selfies": "[C][O][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][Ring1][O]",
"smiles": "COC1CCCCC(=O)CCCC1"
} | 6-methoxycyclodecan-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": "6-methoxycyclodecan-1-one",
"role": "assistant"
}
] |
674 | {
"selfies": "[C][C][=Branch1][C][=O][C][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(=O)CCSCc1ccccc1"
} | 4-benzylsulfanylbutan-2-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": "4-benzylsulfanylbutan-2-one",
"role": "assistant"
}
] |
675 | {
"selfies": "[O][=C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O]",
"smiles": "O=CC(=O)C(O)C(O)C(O)C(O)CO"
} | 3,4,5,6,7-pentahydroxy-2-oxoheptanal | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "3,4,5,6,7-pentahydroxy-2-oxoheptanal",
"role": "assistant"
}
] |
676 | {
"selfies": "[C][=C][C][=C][C][=Branch2][Ring2][O][=N][N][C][=N][N][=C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Ring2][=Branch1][=C][Ring2][Ring2][#Branch2]",
"smiles": "c1ccc2c(=NNc3nnc(NN=c4c5ccccc5sc5ccccc45)c4ccccc34)c3ccccc3sc2c1"
} | 1-N,4-N-bis(thioxanthen-9-ylideneamino)phthalazine-1,4-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "1-N,4-N-bis(thioxanthen-9-ylideneamino)phthalazine-1,4-diamine",
"role": "assistant"
}
] |
677 | {
"selfies": "[C][C][=C][C][=C][Branch1][P][C][=Branch1][Ring1][=C][Cl][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S]",
"smiles": "Cc1ccc(C(=CCl)c2ccc(C)cc2)cc1"
} | 1-[2-chloro-1-(4-methylphenyl)ethenyl]-4-methylbenzene | [
{
"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-[2-chloro-1-(4-methylphenyl)ethenyl]-4-methylbenzene",
"role": "assistant"
}
] |
678 | {
"selfies": "[N][#C][C][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"smiles": "N#CCCOc1ccc(N)cc1"
} | 3-(4-aminophenoxy)propanenitrile | [
{
"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-(4-aminophenoxy)propanenitrile",
"role": "assistant"
}
] |
679 | {
"selfies": "[C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][Ring1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O]",
"smiles": "CNc1nc2cc(C)c(C)cc2n1C1OC(CO)C(O)C1O"
} | 2-[5,6-dimethyl-2-(methylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "2-[5,6-dimethyl-2-(methylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol",
"role": "assistant"
}
] |
680 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCOC(=O)CCC(NC(=O)c1ccc(N)nc1)C(=O)OCC"
} | diethyl 2-[(6-aminopyridine-3-carbonyl)amino]pentanedioate | [
{
"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": "diethyl 2-[(6-aminopyridine-3-carbonyl)amino]pentanedioate",
"role": "assistant"
}
] |
681 | {
"selfies": "[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][=N][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][N][O]",
"smiles": "O=C(O)c1cccc(N=Nc2c(S(=O)(=O)O)ccc3c2C(=O)c2ccccc2C3=O)c1O"
} | 3-[(9,10-dioxo-2-sulfoanthracen-1-yl)diazenyl]-2-hydroxybenzoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "3-[(9,10-dioxo-2-sulfoanthracen-1-yl)diazenyl]-2-hydroxybenzoic acid",
"role": "assistant"
}
] |
682 | {
"selfies": "[C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]",
"smiles": "CON=C(c1ccccc1)C(OC)c1cccc([N+](=O)[O-])c1"
} | N,2-dimethoxy-2-(3-nitrophenyl)-1-phenylethanimine | [
{
"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,2-dimethoxy-2-(3-nitrophenyl)-1-phenylethanimine",
"role": "assistant"
}
] |
683 | {
"selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CS(=O)(=O)C(Cc1ccccc1)c1ccccc1"
} | (2-methylsulfonyl-2-phenylethyl)benzene | [
{
"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-methylsulfonyl-2-phenylethyl)benzene",
"role": "assistant"
}
] |
684 | {
"selfies": "[C][C][C][C][Branch2][Ring1][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][C][Ring1][S]",
"smiles": "C1CCC(C(C2CCCC2)C2CCCC2)C1"
} | dicyclopentylmethylcyclopentane | [
{
"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": "dicyclopentylmethylcyclopentane",
"role": "assistant"
}
] |
685 | {
"selfies": "[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(O)c1ccccc1P(=O)(O)c1ccccc1"
} | 2-[hydroxy(phenyl)phosphoryl]benzoic 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-[hydroxy(phenyl)phosphoryl]benzoic acid",
"role": "assistant"
}
] |
686 | {
"selfies": "[N][C][=C][C][=C][Branch2][Ring2][Branch1][P][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=C]",
"smiles": "Nc1ccc(P(=O)(Nc2ccc3ccccc3c2)Nc2ccc3ccccc3c2)cc1"
} | N-[(4-aminophenyl)-(naphthalen-2-ylamino)phosphoryl]naphthalen-2-amine | [
{
"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-aminophenyl)-(naphthalen-2-ylamino)phosphoryl]naphthalen-2-amine",
"role": "assistant"
}
] |
687 | {
"selfies": "[O][=C][C][C][C][Branch1][P][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][N][Ring1][S]",
"smiles": "O=C1CCC2(CCC(=O)c3ccccc32)CN1"
} | spiro[2,3-dihydronaphthalene-4,5'-piperidine]-1,2'-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": "spiro[2,3-dihydronaphthalene-4,5'-piperidine]-1,2'-dione",
"role": "assistant"
}
] |
688 | {
"selfies": "[C][C][C][=C][C][=C][Branch2][Ring1][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][#Branch1]",
"smiles": "CCc1ccc(N(C(C)=O)C2=C(Cl)C(=O)c3ccccc3C2=O)cc1"
} | N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(4-ethylphenyl)acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(4-ethylphenyl)acetamide",
"role": "assistant"
}
] |
689 | {
"selfies": "[N][C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][C][Branch1][#C][C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]",
"smiles": "NC(CCC(=O)NC(CSCc1ccc(F)cc1)C(=O)NCC(=O)O)C(=O)O"
} | 2-amino-5-[[1-(carboxymethylamino)-3-[(4-fluorophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic 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": "2-amino-5-[[1-(carboxymethylamino)-3-[(4-fluorophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",
"role": "assistant"
}
] |
690 | {
"selfies": "[O][=C][Branch1][Branch1][N][C][C][F][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1]",
"smiles": "O=C(NCCF)NC1C2CC3CC(C2)CC1C3"
} | 1-(2-adamantyl)-3-(2-fluoroethyl)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-(2-adamantyl)-3-(2-fluoroethyl)urea",
"role": "assistant"
}
] |
691 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl][C][=C][Ring2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][F]",
"smiles": "Cc1ccc(NC(=O)NCCCOc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)F"
} | 5-[3-(2-chloro-4-nitrophenoxy)propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "5-[3-(2-chloro-4-nitrophenoxy)propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride",
"role": "assistant"
}
] |
692 | {
"selfies": "[C][C][C][C][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]",
"smiles": "CCCCCC(C(=O)OCC)P(=O)(OCC)OCC"
} | ethyl 2-diethoxyphosphorylheptanoate | [
{
"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": "ethyl 2-diethoxyphosphorylheptanoate",
"role": "assistant"
}
] |
693 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]",
"smiles": "CCOC(=O)CCP(=O)(OCC)OCC"
} | ethyl 3-diethoxyphosphorylpropanoate | [
{
"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": "ethyl 3-diethoxyphosphorylpropanoate",
"role": "assistant"
}
] |
695 | {
"selfies": "[C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2]",
"smiles": "C1CCC2C(C1)CCCC2CC1CCCC2CCCCC21"
} | 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene | [
{
"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-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene",
"role": "assistant"
}
] |
696 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2]",
"smiles": "COc1cc2c(cc1OC)C1CC(c3ccccc3)=C(c3ccccc3)CN1CC2"
} | 9,10-dimethoxy-2,3-diphenyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine | [
{
"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": "9,10-dimethoxy-2,3-diphenyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine",
"role": "assistant"
}
] |
697 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][C][C][C][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][C][=Branch1][C][=O][O][C]",
"smiles": "COC(=O)C1=CCCCCCCC(N2CCCC2)=C1C(=O)OC"
} | dimethyl 3-pyrrolidin-1-ylcyclodeca-2,10-diene-1,2-dicarboxylate | [
{
"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": "dimethyl 3-pyrrolidin-1-ylcyclodeca-2,10-diene-1,2-dicarboxylate",
"role": "assistant"
}
] |
698 | {
"selfies": "[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]",
"smiles": "CC(=O)CC(=O)Nc1ccc(-c2ccccc2)cc1"
} | 3-oxo-N-(4-phenylphenyl)butanamide | [
{
"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-oxo-N-(4-phenylphenyl)butanamide",
"role": "assistant"
}
] |
699 | {
"selfies": "[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][I][C][=C][Ring1][O]",
"smiles": "CNS(=O)(=O)c1ccc(NC(=O)CI)cc1"
} | 2-iodo-N-[4-(methylsulfamoyl)phenyl]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-iodo-N-[4-(methylsulfamoyl)phenyl]acetamide",
"role": "assistant"
}
] |
700 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Br][=C][Ring1][Branch2]",
"smiles": "Cc1ccc(Cl)c(Br)c1"
} | 2-bromo-1-chloro-4-methylbenzene | [
{
"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-bromo-1-chloro-4-methylbenzene",
"role": "assistant"
}
] |
701 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCC(C)C(C(=O)OC1CCN(CC)CC1)c1ccccc1"
} | (1-ethylpiperidin-4-yl) 3-methyl-2-phenylpentanoate | [
{
"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-ethylpiperidin-4-yl) 3-methyl-2-phenylpentanoate",
"role": "assistant"
}
] |
702 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][Branch1][C][N][=O][C][=C][Ring1][S]",
"smiles": "Cc1ccc(S(=O)(=O)CC(=O)NC(N)=O)cc1"
} | N-carbamoyl-2-(4-methylphenyl)sulfonylacetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "N-carbamoyl-2-(4-methylphenyl)sulfonylacetamide",
"role": "assistant"
}
] |
703 | {
"selfies": "[C][S][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]",
"smiles": "CSCCC(NC(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)O"
} | 2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-methylsulfanylbutanoic 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": "2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-methylsulfanylbutanoic acid",
"role": "assistant"
}
] |
704 | {
"selfies": "[N][=C][C][=C][Branch1][#C][N][=C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "N=c1c2c(ncn1Cc1ccccc1)ncn2Cc1ccccc1"
} | 1,7-dibenzylpurin-6-imine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "1,7-dibenzylpurin-6-imine",
"role": "assistant"
}
] |
705 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][P][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][S]",
"smiles": "CCCCCCCCCCCCOc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1"
} | 1-(4-dodecoxyphenyl)sulfanyl-4-nitrobenzene | [
{
"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-dodecoxyphenyl)sulfanyl-4-nitrobenzene",
"role": "assistant"
}
] |
706 | {
"selfies": "[C][C][Branch1][Ring1][C][#N][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P]",
"smiles": "CC(C#N)CC12CCCCC1CCC(=Cc1ccccc1)C2"
} | 3-(6-benzylidene-1,2,3,4,5,7,8,8a-octahydronaphthalen-4a-yl)-2-methylpropanenitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "3-(6-benzylidene-1,2,3,4,5,7,8,8a-octahydronaphthalen-4a-yl)-2-methylpropanenitrile",
"role": "assistant"
}
] |
707 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][N][Branch1][C][C][C][C][Ring2][Ring1][Branch2]",
"smiles": "COc1cc2c(cc1OC)C(=O)Cc1ccc(OC)c(OC)c1CN(C)CC2"
} | 3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one",
"role": "assistant"
}
] |
708 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "O=[N+]([O-])c1cc2nsnc2cc1[N+](=O)[O-]"
} | 5,6-dinitro-2,1,3-benzothiadiazole | [
{
"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-dinitro-2,1,3-benzothiadiazole",
"role": "assistant"
}
] |
709 | {
"selfies": "[O][C][C][C][C][=C][Branch1][Ring2][C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][Branch1]",
"smiles": "OC1CCC2=C(C1)C1CCC2C1"
} | tricyclo[6.2.1.02,7]undec-2(7)-en-4-ol | [
{
"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": "tricyclo[6.2.1.02,7]undec-2(7)-en-4-ol",
"role": "assistant"
}
] |
710 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][=Branch2]",
"smiles": "Cc1ccc(C(O)(c2ccc(C)cc2)C2C(c3ccccc3)N2C)cc1"
} | bis(4-methylphenyl)-(1-methyl-3-phenylaziridin-2-yl)methanol | [
{
"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": "bis(4-methylphenyl)-(1-methyl-3-phenylaziridin-2-yl)methanol",
"role": "assistant"
}
] |
Subsets and Splits