molecules
dict | messages
listlengths 3
3
|
|---|---|
{
"smiles": [
"O=C(O)CCCC=CCC#CC#CC#CCOC(=O)C=Cc1ccc(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": "O=C(O)CCCC=CCC#CC#CC#CCOC(=O)C=Cc1ccc(O)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCOC1OC(C)C(OC2OC(C)C(OC(C)=O)C(OC3OC(C)C(O)C(OC(C)=O)C3OC(C)=O)C2O)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": "CCCCCCCCCCCCOC1OC(C)C(OC2OC(C)C(OC(C)=O)C(OC3OC(C)C(O)C(OC(C)=O)C3OC(C)=O)C2O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc2c3c(n(C)c2c1)C(CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(C)c2)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": "COc1ccc2c3c(n(C)c2c1)C(CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)C=Cc1ccco1"
]
} | [
{
"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)C=Cc1ccco1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)=CC1CC2(C)OC3=C(CC2O1)C(=O)CCC3O"
]
} | [
{
"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(C)=CCCC(C)=CC1CC2(C)OC3=C(CC2O1)C(=O)CCC3O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(Oc1cc(O)c2c(c1)OC(c1ccc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c1)C(O)C2)c1cc(O)c(O)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "O=C(Oc1cc(O)c2c(c1)OC(c1ccc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c1)C(O)C2)c1cc(O)c(O)c(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(-c2oc3c(CCC(C)(C)OC)c(O)cc(O)c3c(=O)c2O)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": "COc1ccc(-c2oc3c(CCC(C)(C)OC)c(O)cc(O)c3c(=O)c2O)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"COC1C2=C(C)C(=O)OC2(OC)CC2CCC(O)C(C)C21C"
]
} | [
{
"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": "COC1C2=C(C)C(=O)OC2(OC)CC2CCC(O)C(C)C21C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCC=CCCCCCO"
]
} | [
{
"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)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCC=CCCCCCO",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC1C(=O)NC2(C(O)C3C=CCCC3)C(=O)OC12C"
]
} | [
{
"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": "CCCC1C(=O)NC2(C(O)C3C=CCCC3)C(=O)OC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CSC1NC(=O)C(Cc2ccc(O)cc2)(SC)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 give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CSC1NC(=O)C(Cc2ccc(O)cc2)(SC)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COC(OC)C1(O)COc2cc(O)ccc2-c2cc(O)c(O)cc2C1"
]
} | [
{
"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": "COC(OC)C1(O)COc2cc(O)ccc2-c2cc(O)c(O)cc2C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1C2CCC3C2C(C)(C)C(=O)CCC13C"
]
} | [
{
"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": "CC1C2CCC3C2C(C)(C)C(=O)CCC13C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C(N)C(=O)NC(C(=O)O)C1OC(n2cc(C=O)[nH]c2=O)C(O)C1O)C(O)c1ccc(O)cn1"
]
} | [
{
"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(C(N)C(=O)NC(C(=O)O)C1OC(n2cc(C=O)[nH]c2=O)C(O)C1O)C(O)c1ccc(O)cn1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(OC(C)=O)C(C(=O)N(C)C)C3c2ccccc2)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(OC(C)=O)C(C(=O)N(C)C)C3c2ccccc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC=CCC(O)CCC(=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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCC=CCC(O)CCC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)c1c(O)cc(OCC=C(C)C)cc1OC"
]
} | [
{
"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": "CCCC(=O)c1c(O)cc(OCC=C(C)C)cc1OC",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.Cl.O.[Co+2]"
]
} | [
{
"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": "CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.Cl.O.[Co+2]",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCCCOC(CN(C)C(=O)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)C(=O)Cc2ccccc2)C(C)CN(C(C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(C2CCCN2)OC1=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": "CC1=CC(C2CCCN2)OC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COC1=CC(=O)C2(C(Cl)CC34C(OC)=C(OC)C(=O)CC23CCN4C)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": "COC1=CC(=O)C2(C(Cl)CC34C(OC)=C(OC)C(=O)CC23CCN4C)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(=O)C2C(C)(C)CCCC2(C)C1CCC(=CC(=O)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": "CC1=CC(=O)C2C(C)(C)CCCC2(C)C1CCC(=CC(=O)O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CC(=O)OC1CC2CC(OC(=O)C=C(C)CO)CC1N2C"
]
} | [
{
"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)=CC(=O)OC1CC2CC(OC(=O)C=C(C)CO)CC1N2C",
"role": "assistant"
}
] |
{
"smiles": [
"CSC1NC(=O)C(C)(SC)N(C)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CSC1NC(=O)C(C)(SC)N(C)C1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C1CCCCCN1C)C1CC(O)C2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C"
]
} | [
{
"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(C1CCCCCN1C)C1CC(O)C2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)CCCC=CCCCCCCCCC#CC=CBr"
]
} | [
{
"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)CCCC=CCCCCCCCCC#CC=CBr",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccc(OC)cc45)C3CC21"
]
} | [
{
"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)C1C(O)CCC2CN3CCc4c([nH]c5ccc(OC)cc45)C3CC21",
"role": "assistant"
}
] |
{
"smiles": [
"N#CC(=CCOC1OC(CO)C(O)C(O)C1O)COC(=O)C=Cc1ccc(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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "N#CC(=CCOC1OC(CO)C(O)C(O)C1O)COC(=O)C=Cc1ccc(O)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2OC1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(OC(=O)c2ccccc2)C(O)C(=O)C(C)(C)C2OC2C(C)C(=O)C2(O)C(C1OC(=O)c1ccccc1)C(OC(C)=O)C(C)(O)C2OC(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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "C=C1C(OC(=O)c2ccccc2)C(O)C(=O)C(C)(C)C2OC2C(C)C(=O)C2(O)C(C1OC(=O)c1ccccc1)C(OC(C)=O)C(C)(O)C2OC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)(COC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(O)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)(COC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(O)c(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCOCCC"
]
} | [
{
"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": "CCCOCCC",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC1=C(CC=C(C)CC=CC(C)C)NC(=O)C(C)(O)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCC1=C(CC=C(C)CC=CC(C)C)NC(=O)C(C)(O)C1=O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCCC(O)CC(=O)c2c(O)cc(O)cc2CC(=O)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC1CCCC(O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CC=CC(C)C1(C)CC=C2C3CCC4C(C)(C)C(O)CCC4(C)C3(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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)=CC=CC(C)C1(C)CC=C2C3CCC4C(C)(C)C(O)CCC4(C)C3(O)CCC21C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12"
]
} | [
{
"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(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CC(=O)OC(C)CC=CC(=O)OC(C)C(O)C=CC(=O)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1CC(=O)OC(C)CC=CC(=O)OC(C)C(O)C=CC(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC(OC)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC(OC)OC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CCC2(C)C(CC(O)C34C=C(C)C(CCC23)C4)C1(C)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(=O)OC1CCC2(C)C(CC(O)C34C=C(C)C(CCC23)C4)C1(C)CO",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(O)c2c(c1OC(C)=O)OC(c1ccccc1)CC2=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(O)c2c(c1OC(C)=O)OC(c1ccccc1)CC2=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=P(=O)[O-].O=P(=O)[O-].[Be+2]"
]
} | [
{
"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": "O=P(=O)[O-].O=P(=O)[O-].[Be+2]",
"role": "assistant"
}
] |
{
"smiles": [
"CC=CC(=O)C1C(C)=CC(=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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC=CC(=O)C1C(C)=CC(=O)CC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CCC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C"
]
} | [
{
"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": "CCC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCC=CCCCCCCCC(=O)Oc1cc(C)c(O)c(CC=C(C)CCC=C(C)CCC=C(O)CCC(O)C(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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCCCCC=CCCCCCCCC(=O)Oc1cc(C)c(O)c(CC=C(C)CCC=C(C)CCC=C(O)CCC(O)C(C)(C)O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC(C)=O)CC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC(C)=O)CC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C(CCC(C)O)C(C)(C)CCC1=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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1=C(CCC(C)O)C(C)(C)CCC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CC(O)CC(C)(C)C12CCC(C)=C(Cl)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C1CC(O)CC(C)(C)C12CCC(C)=C(Cl)C2",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)no1"
]
} | [
{
"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": "Cc1cc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)no1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(=O)C(CCN(C)C)(c1ccccc1)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2"
]
} | [
{
"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(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cnccc1C(C)C(C)(O)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(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": "CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cnccc1C(C)C(C)(O)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C2=C(CCC2C)C(C(C)C)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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(=O)OC1C2=C(CCC2C)C(C(C)C)CC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CC(C)OC2OC3C=C4CC5OC56C(C(O)C(=O)C5(C)C(C7=CC(=O)OC7)=CCC56O)C4(C)CC3OC12O"
]
} | [
{
"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)OC2OC3C=C4CC5OC56C(C(O)C(=O)C5(C)C(C7=CC(=O)OC7)=CCC56O)C4(C)CC3OC12O",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cc(O)cc(Oc2cc(C)cc(O)c2)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "Cc1cc(O)cc(Oc2cc(C)cc(O)c2)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C=CC(C)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C=CC(C)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cccc2oc(=O)c3c(c12)OC(C)(C)C=C3"
]
} | [
{
"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": "Cc1cccc2oc(=O)c3c(c12)OC(C)(C)C=C3",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CC(C)OC2OC3CC4CCC5C(C(=O)CC6(C)C(C7=CC(=O)OC7)CCC56O)C4(C)CC3OC12O"
]
} | [
{
"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": "COC1CC(C)OC2OC3CC4CCC5C(C(=O)CC6(C)C(C7=CC(=O)OC7)CCC56O)C4(C)CC3OC12O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=CCO)C1C(C)=CC2CC(=O)CC(C)C2C1C=CC=CC(=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(=CCO)C1C(C)=CC2CC(=O)CC(C)C2C1C=CC=CC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)c1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)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": "O=C(O)c1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1C1OC(CO)C(O)C(O)C1OC(=O)C=Cc1ccccc1"
]
} | [
{
"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(C)c2c(=O)cc(CC(C)O)oc2c1C1OC(CO)C(O)C(O)C1OC(=O)C=Cc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(O)CCC2C3CCC4CC(O)CCC4(C)C3(F)C(O)CC21C"
]
} | [
{
"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": "CC1(O)CCC2C3CCC4CC(O)CCC4(C)C3(F)C(O)CC21C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCC1CC2(C(=O)C(C)C)C(=O)C(CC=C(C)C)(C(=O)C3=C2OC(C(C)(C)O)C3)C1(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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)=CCC1CC2(C(=O)C(C)C)C(=O)C(CC=C(C)C)(C(=O)C3=C2OC(C(C)(C)O)C3)C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(OC(=O)C(C)CC)C(O)C3O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(O)C(O)C1OC1OC(COC(=O)C(C)C(C)O)C(O)C(O)C1O2"
]
} | [
{
"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=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(OC(=O)C(C)CC)C(O)C3O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(O)C(O)C1OC1OC(COC(=O)C(C)C(C)O)C(O)C(O)C1O2",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C21C"
]
} | [
{
"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=C(C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C21C",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCCCCCC=CCC#CC#CC=CC"
]
} | [
{
"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=CCCCCCC=CCC#CC#CC=CC",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(C2Oc3c(OC)cc(C=CCO)cc3C2C)cc1OC"
]
} | [
{
"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(C2Oc3c(OC)cc(C=CCO)cc3C2C)cc1OC",
"role": "assistant"
}
] |
{
"smiles": [
"c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1"
]
} | [
{
"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": "c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C(C)OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(OC(C)=O)C1OC(=O)C=Cc1ccccc1"
]
} | [
{
"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(=O)OC1C(C)OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(OC(C)=O)C1OC(=O)C=Cc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)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(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br"
]
} | [
{
"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": "Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br",
"role": "assistant"
}
] |
{
"smiles": [
"OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CCC=C(C)CC2CC(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": "C=C1CCC=C(C)CC2CC(C)(C)CC12",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)CC(C)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC=C(C)C(=O)OC1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)CC(C)C1(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCN1CC(C)C(OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OCC1C"
]
} | [
{
"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": "CCCN1CC(C)C(OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OCC1C",
"role": "assistant"
}
] |
{
"smiles": [
"COC1=CC(=O)OC1(O)C(C)Cc1c(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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "COC1=CC(=O)OC1(O)C(C)Cc1c(C)cc(O)cc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1(O)C2C"
]
} | [
{
"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": "CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1(O)C2C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC(=O)C=CC1C(O)CC(O)C1CC=CCCCC(=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": "CCCCCC(=O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC(O)C=CC=CC=CC=CC(O)C(O)CC=CCCC(=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": "CCC=CCC(O)C=CC=CC=CC=CC(O)C(O)CC=CCCC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C(=O)Nc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnc3n2C)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. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C(C)C(=O)Nc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnc3n2C)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)C23C(O)CC4C(C)(CO)C(O)CCC4(C)C2CC(=O)C1C3O"
]
} | [
{
"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=C1C(=O)C23C(O)CC4C(C)(CO)C(O)CCC4(C)C2CC(=O)C1C3O",
"role": "assistant"
}
] |
{
"smiles": [
"CNCC1Oc2ncc(C#Cc3ccccc3F)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": "CNCC1Oc2ncc(C#Cc3ccccc3F)cc2C(=O)N(C(C)CO)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C1C=CC(=O)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC=C1C=CC(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C2CC(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(O)C4O)cc3O2)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(C2CC(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(O)C4O)cc3O2)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2COC1CN(C)C(=O)Cc1ccccc1"
]
} | [
{
"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": "CC1CN(C(C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2COC1CN(C)C(=O)Cc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(CCC(C)C1CCC2C3=CCC4CC(OC(=O)CCCCCCCC=CCC=CCCCCC)CCC4(C)C3CCC21C)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C(CCC(C)C1CCC2C3=CCC4CC(OC(=O)CCCCCCCC=CCC=CCCCCC)CCC4(C)C3CCC21C)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(=O)C2(C)C(CC1)C(C(C)(C)O)C1OC12"
]
} | [
{
"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(=O)C2(C)C(CC1)C(C(C)(C)O)C1OC12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)[O-].CC(=O)[O-].[Cd+2]"
]
} | [
{
"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)[O-].CC(=O)[O-].[Cd+2]",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C1COc2c(C)cc3oc4c(CC(C)(C)C=O)ccc(O)c4c(=O)c3c2C1O"
]
} | [
{
"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=C(C)C1COc2c(C)cc3oc4c(CC(C)(C)C=O)ccc(O)c4c(=O)c3c2C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)CCC(CC1CC2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)(C(=O)C3=C2OC(C(C)(C)O)C3)C1(C)C)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C(C)CCC(CC1CC2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)(C(=O)C3=C2OC(C(C)(C)O)C3)C1(C)C)C(=C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)N2C(=O)C(CCC2O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC(C)=O)C(C)OC1=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": "CCC(C)C1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)N2C(=O)C(CCC2O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC(C)=O)C(C)OC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCc2cc(ccc2O)OCC(C)=CCC1"
]
} | [
{
"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=CCc2cc(ccc2O)OCC(C)=CCC1",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C"
]
} | [
{
"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": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21"
]
} | [
{
"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": "CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(O)c(C=CCc2ccc(OC)c(O)c2OC)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> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COc1ccc(O)c(C=CCc2ccc(OC)c(O)c2OC)c1",
"role": "assistant"
}
] |
{
"smiles": [
"OCCCCCCO"
]
} | [
{
"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": "OCCCCCCO",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1c(OC(=O)C(C)(C)C)c(Cl)cc2c1Oc1c(cc(CCC(=O)NCCCCCCOP(OCCO)N(C(C)C)C(C)C)c(OC(=O)C(C)(C)C)c1Cl)C21OC(=O)c2cc(Cl)c(Cl)cc21"
]
} | [
{
"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": "Cc1c(OC(=O)C(C)(C)C)c(Cl)cc2c1Oc1c(cc(CCC(=O)NCCCCCCOP(OCCO)N(C(C)C)C(C)C)c(OC(=O)C(C)(C)C)c1Cl)C21OC(=O)c2cc(Cl)c(Cl)cc21",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CCC12C"
]
} | [
{
"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": "COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CCC12C",
"role": "assistant"
}
] |