molecules
dict | messages
listlengths 3
3
|
|---|---|
{
"smiles": [
"COc1ccc(C=C2N=C(SC)N(c3ccccc3OC)C2=O)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1ccc(C=C2N=C(SC)N(c3ccccc3OC)C2=O)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(O)C2(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(O)C2(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccc(O)cc3)=CCC12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccc(O)cc3)=CCC12",
"role": "assistant"
}
] |
{
"smiles": [
"O=Cc1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "O=Cc1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C[NH2+]C(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)[O-])c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)([NH3+])C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2O)Oc2ccc(cc2Cl)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C[NH2+]C(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)[O-])c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)([NH3+])C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2O)Oc2ccc(cc2Cl)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C1CC(=O)CC2OC(C)(CC2=O)CC2C=C(C(=O)O2)C(OC)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C(C)C1CC(=O)CC2OC(C)(CC2=O)CC2C=C(C(=O)O2)C(OC)C1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(OCc1cc(O)ccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "O=C(OCc1cc(O)ccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCc1c2c(c(O)c3c1OC(c1ccc(O)cc1)CC3=O)CC(C(C)(C)O)O2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)=CCc1c2c(c(O)c3c1OC(c1ccc(O)cc1)CC3=O)CC(C(C)(C)O)O2",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(OCC2OC(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C4O)C(O)C3NC(C)=O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)NC1C(OCC2OC(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C4O)C(O)C3NC(C)=O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(OCC2OC(OC3C(CO)OC(OC4C(O)C(COC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)OC(OC5C(O)C(COC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6NC(C)=O)OC(O)C5NC(C)=O)C4O)C(NC(C)=O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(=O)NC1C(OCC2OC(OC3C(CO)OC(OC4C(O)C(COC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)OC(OC5C(O)C(COC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6NC(C)=O)OC(O)C5NC(C)=O)C4O)C(NC(C)=O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C4O)C(NC(C)=O)C3OC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C4O)C(NC(C)=O)C3OC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(C)CC2=C3C=CC4C(C)(CCC(=O)O)C(C(C)(O)CO)CC(O)C4(C)C3(C)CCC2(C)C(O)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1(C)CC2=C3C=CC4C(C)(CCC(=O)O)C(C(C)(O)CO)CC(O)C4(C)C3(C)CCC2(C)C(O)C1",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)c1c(O)cc(C=O)c(O)c1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "COC(=O)c1c(O)cc(C=O)c(O)c1C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(O)CC(=O)OC1CC2CCN(C)C2C2c3cc4c(cc3C(=O)OC12)OCO4"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(O)CC(=O)OC1CC2CCN(C)C2C2c3cc4c(cc3C(=O)OC12)OCO4",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C2C(OC3CC(=O)OC4(C)COC(=O)CC4C32C)C(OC(=O)CC(C)C)C2(C)C(c3ccoc3)CC(=O)C12O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C1C2C(OC3CC(=O)OC4(C)COC(=O)CC4C32C)C(OC(=O)CC(C)C)C2(C)C(c3ccoc3)CC(=O)C12O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(N)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(N)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCC(C)C(N)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(N)=O",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cn(C2CC(OP(=O)([O-])[O-])C(CO)O2)c(=O)[nH]c1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cc1cn(C2CC(OP(=O)([O-])[O-])C(CO)O2)c(=O)[nH]c1=O",
"role": "assistant"
}
] |
{
"smiles": [
"OCC1OC(n2cnc3c(NC4CCCC4)nc(Cl)nc32)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "OCC1OC(n2cnc3c(NC4CCCC4)nc(Cl)nc32)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1C(=Cc2ccccc2)CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "O=C1C(=Cc2ccccc2)CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(C)C(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCC=C=CCCCCCCCCCCCCC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCCCCC=C=CCCCCCCCCCCCCC",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)c1sc2sccc2c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "O=C(O)c1sc2sccc2c1Cl",
"role": "assistant"
}
] |
{
"smiles": [
"OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O.[Cl-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O.[Cl-]",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2OC1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2OC1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=CC1(C)CCC2=C(C(=O)C=C3C(C)(C)CCCC32O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "C=CC1(C)CCC2=C(C(=O)C=C3C(C)(C)CCCC32O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(OCC2OC(O)C(O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(=O)NC1C(OCC2OC(O)C(O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCC2(OC1)OC1CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC1CCC2(OC1)OC1CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CC12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CC12",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCOS(=O)(=O)[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCCCOS(=O)(=O)[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CCCOC(=O)C=Cc2ccc(O)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COc1ccc(CCCOC(=O)C=Cc2ccc(O)cc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC(C(CCC=C(C)C)C(=O)O)C2(C)CCC3=C(CCC4C3(C)CCC(O)C4(C)C)C12C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(=O)OC1CC(C(CCC=C(C)C)C(=O)O)C2(C)CCC3=C(CCC4C3(C)CCC(O)C4(C)C)C12C",
"role": "assistant"
}
] |
{
"smiles": [
"C=CC(C)(O)CCC1C(=C)CCC2C(C)(C(=O)OC)CCCC12C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=CC(C)(O)CCC1C(=C)CCC2C(C)(C(=O)OC)CCCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC12C=C(O)C(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC12C=C(O)C(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3C(O)C=C3C=CCC(=O)C31C)C(=O)OC24C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3C(O)C=C3C=CCC(=O)C31C)C(=O)OC24C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCC=CC1OC2C(O)C=C3CC(O)CC3C2C=C1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCCCCCCC=CC1OC2C(O)C=C3CC(O)CC3C2C=C1C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCC=CC(=O)CC1C2=COC(C)=CC2=CC(=O)C1(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCCCC=CC(=O)CC1C2=COC(C)=CC2=CC(=O)C1(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OCC12C(OC(C)=O)C(O)C3OC(=O)C(C)CCc4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(=O)OCC12C(OC(C)=O)C(O)C3OC(=O)C(C)CCc4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)OC(C)(CC(=O)C=C(C)C)C(O)C2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)OC(C)(CC(=O)C=C(C)C)C(O)C2",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)C(CC(=O)O)OC(C)(C)C5CCC43C)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)C(CC(=O)O)OC(C)(C)C5CCC43C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCC(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cc(O)c2c(O)c3c(cc2c1)CC(O)CC3=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cc1cc(O)c2c(O)c3c(cc2c1)CC(O)CC3=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC(O)CCCCC(O)C1CCC(C2CCC(C(O)CCCCCCCCCCCCC3=CC(C)OC3=O)O2)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCCCCC(O)CCCCC(O)C1CCC(C2CCC(C(O)CCCCCCCCCCCCC3=CC(C)OC3=O)O2)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C(C=CC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CC(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1=C(C=CC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CC(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)CC(C)(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COC(=O)CC(C)(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)=CCCC(C)=CCc1c(C)cc(O)cc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)=CCCC(C)=CCc1c(C)cc(O)cc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CC=CC(C)=CC=CC(C)=C1C(=O)CC2C1(C)CCC1C(C)(CO)C(O)CCC21C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(C)=CC=CC(C)=CC=CC(C)=C1C(=O)CC2C1(C)CCC1C(C)(CO)C(O)CCC21C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCC=C1C(=O)OC(C)(OC)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCCCCCCCCC=C1C(=O)OC(C)(OC)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1CC(C(C)C)c2cc(C)c(OC)cc2C1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC=C(C)C(=O)OC1CC(C(C)C)c2cc(C)c(OC)cc2C1C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OC",
"role": "assistant"
}
] |
{
"smiles": [
"CN1CCC23CCCCC2C1Cc1ccc(O)cc13"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CN1CCC23CCCCC2C1Cc1ccc(O)cc13",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCc1cc(C)ccc1C=CC=CC=CC(C)=CCc1oc(=O)c(C)c(O)c1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "C=CCc1cc(C)ccc1C=CC=CC=CC(C)=CCc1oc(=O)c(C)c(O)c1C",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1=C(CC3O)C(C)(CO)C(O)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1=C(CC3O)C(C)(CO)C(O)CC1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)CCCCCCCCCCc1ccc2c(c1)OCO2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)CCCCCCCCCCc1ccc2c(c1)OCO2",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OCC(C)N(C(=O)Cc2ccccn2)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OCC(C)N(C(=O)Cc2ccccn2)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCC12CC(=O)C(OC)C(C(c3cc(OC)c4c(c3)OCO4)C1C)C2O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=CCC12CC(=O)C(OC)C(C(c3cc(OC)c4c(c3)OCO4)C1C)C2O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C1=CC2=C(C(=O)C1=O)C1=CCC(OC(=O)c3ccccc3)C(C)(C)C1C=C2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(C)C1=CC2=C(C(=O)C1=O)C1=CCC(OC(=O)c3ccccc3)C(C)(C)C1C=C2",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C1CCC2C1(C)CCC1(C)C3CCC4C(C)(CO)CCCC4(C)C3=CCC21C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)C1CCC2C1(C)CCC1(C)C3CCC4C(C)(CO)CCCC4(C)C3=CCC21C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCCCOC(CN(C)CC2CCCCC2)C(C)CN(C(C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1CCCCOC(CN(C)CC2CCCCC2)C(C)CN(C(C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(C)CC=CC2C(O)C(C)=C(C)C3C(Cc4c[nH]c5ccccc45)NC(=O)C23C(=O)C=CC(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1=CC(C)CC=CC2C(O)C(C)=C(C)C3C(Cc4c[nH]c5ccccc45)NC(=O)C23C(=O)C=CC(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=CC(C)(C)OCC1NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)OC(C)(C)C=C)NC(=O)C2CSC(=N2)C(Cc2ccccc2)NC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=CC(C)(C)OCC1NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)OC(C)(C)C=C)NC(=O)C2CSC(=N2)C(Cc2ccccc2)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CNCC1OCCCCC(C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C(=O)N(C(C)CO)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CNCC1OCCCCC(C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C(=O)N(C(C)CO)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)C23CC1CC(O)C2C1(CCC(OC(C)=O)C(C)(COC(C)=O)C1C=O)COC3=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C1C(=O)C23CC1CC(O)C2C1(CCC(OC(C)=O)C(C)(COC(C)=O)C1C=O)COC3=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCC=CC=CC(=O)OCC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCC=CC=CC(=O)OCC",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1C2C3CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1C2C3CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCN(C)CC1OCCCCC(C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)N(C(C)CO)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCN(C)CC1OCCCCC(C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)N(C(C)CO)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1c(O)cc2c(=O)oc3c(OC)c(OC4OCC(O)C(O)C4O)cc4c(=O)oc1c2c34"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1c(O)cc2c(=O)oc3c(OC)c(OC4OCC(O)C(O)C4O)cc4c(=O)oc1c2c34",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=CCOC(=O)CC(C)(CC(=O)O)OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1OC1OC(CO)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1cc(C=CCOC(=O)CC(C)(CC(=O)O)OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1OC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)Cc1ccccc1)OCCCCC(C)O2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)Cc1ccccc1)OCCCCC(C)O2",
"role": "assistant"
}
] |
{
"smiles": [
"COC1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(=O)CCC3(C)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COC1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(=O)CCC3(C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=CC(=O)OCCCc2ccc(OC(COC(=O)C=Cc3ccc(O)c(OC)c3)C(O)c3ccc(O)c(OC)c3)c(O)c2)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1cc(C=CC(=O)OCCCc2ccc(OC(COC(=O)C=Cc3ccc(O)c(OC)c3)C(O)c3ccc(O)c(OC)c3)c(O)c2)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C1Cc2c(c(CC=C(C)C)c3oc(-c4ccc(O)cc4O)c(CC=C(C)C)c(=O)c3c2O)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=C(C)C1Cc2c(c(CC=C(C)C)c3oc(-c4ccc(O)cc4O)c(CC=C(C)C)c(=O)c3c2O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1CCCC2(O)C3CCCN4CCCC(CN12)C34"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "O=C1CCCC2(O)C3CCCN4CCCC(CN12)C34",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(OC5OC(C(=O)OC)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCC(C(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(OC5OC(C(=O)OC)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"[NH3+]C1C(C(=O)[O-])=CC=CC1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "[NH3+]C1C(C(=O)[O-])=CC=CC1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CC1c2c(O)c(C=O)c(O)c(C=O)c2OC2(C)C=CC(C(C)C)CC12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)CC1c2c(O)c(C=O)c(O)c(C=O)c2OC2(C)C=CC(C(C)C)CC12",
"role": "assistant"
}
] |
{
"smiles": [
"S=[Ca]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "S=[Ca]",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C2Oc3cc(C=CCO)cc(OC)c3OC2CO)ccc1OC1OC(CO)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COc1cc(C2Oc3cc(C=CCO)cc(OC)c3OC2CO)ccc1OC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C(OC(C)=O)C2(C)C3=CCC(c4ccoc4)C3(C)CCC2C2(C)C(OC(C)=O)CC(OC(C)=O)C(C)(C)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)OC1C(OC(C)=O)C2(C)C3=CCC(c4ccoc4)C3(C)CCC2C2(C)C(OC(C)=O)CC(OC(C)=O)C(C)(C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(O)c2c(c1)CC1NCCc3c(OC)c4c(c-2c31)OCO4"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1cc(O)c2c(c1)CC1NCCc3c(OC)c4c(c-2c31)OCO4",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)C1OC(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "O=C(O)C1OC(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(OC2OC(COC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(cc2c1)CC(C)(O)CC3=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1cc(OC2OC(COC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(cc2c1)CC(C)(O)CC3=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(O)C(C(C)CCC2C(C)C3(C)CCC2(C)O3)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1=CC(O)C(C(C)CCC2C(C)C3(C)CCC2(C)O3)CC1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCCCCCCCCCCCC(CCCC)OC(C)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCCCCCCCCCCCC(CCCC)OC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)Oc1ccc2c(c1)CCC1(C)C2CCC2(C)C(=O)CCC21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(=O)Oc1ccc2c(c1)CCC1(C)C2CCC2(C)C(=O)CCC21",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCCCC(=O)OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCCCC(=O)OC",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCCCOC(CN(C)S(C)(=O)=O)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1CCCCOC(CN(C)S(C)(=O)=O)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=CC(=O)OCC2OC(Oc3c(OC)cc4c(c3OC)C(c3cc(OC)c(O)c(OC)c3)C(CO)C(CO)C4)C(O)C(O)C2O)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "COc1cc(C=CC(=O)OCC2OC(Oc3c(OC)cc4c(c3OC)C(c3cc(OC)c(O)c(OC)c3)C(CO)C(CO)C4)C(O)C(O)C2O)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(C)C(C)C)CCC32)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCC=CCC=CCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(C)C(C)C)CCC32)C1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC1OC(=O)C(C)CC(C)C(=O)CCCC(=O)CCCC(CC)C=CC=C(COC)CCC(O)C(O)CC(O)CNC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCC1OC(=O)C(C)CC(C)C(=O)CCCC(=O)CCCC(CC)C=CC=C(COC)CCC(O)C(O)CC(O)CNC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)N(Cc2ccccc2F)CC(C)C(OC)CN(C)C3=O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)N(Cc2ccccc2F)CC(C)C(OC)CN(C)C3=O)c1",
"role": "assistant"
}
] |