molecules
dict | messages
listlengths 3
3
|
|---|---|
{
"smiles": [
"Cc1nccnc1Sc1ccccc1"
]
} | [
{
"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": "Cc1nccnc1Sc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1C(=O)c2cccc3cccc1c23"
]
} | [
{
"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": "O=C1C(=O)c2cccc3cccc1c23",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CCC(=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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CCC(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CS"
]
} | [
{
"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": "CS",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C2=C(CCC3C(C)(C)C(=O)CCC23C)C2(C)CCC(C(C)CCC=C(C)C(=O)O)C2(C)C1OC(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": "CC(=O)OC1C2=C(CCC3C(C)(C)C(=O)CCC23C)C2(C)CCC(C(C)CCC=C(C)C(=O)O)C2(C)C1OC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(C)CC(C)OC(=O)CC(c2ccc(O)cc2)NC(=O)C(Cc2ccc(O)c(Br)c2)N(C)C(=O)C(C)NC(=O)C(C)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": "CC1=CC(C)CC(C)OC(=O)CC(c2ccc(O)cc2)NC(=O)C(Cc2ccc(O)c(Br)c2)N(C)C(=O)C(C)NC(=O)C(C)C1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(OC1C(OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC2C(COC3=O)OC(O)C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC32)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C1OC(=O)c1cc(O)c(O)c(O)c1)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "O=C(OC1C(OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC2C(COC3=O)OC(O)C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC32)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)=CCc1c2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c1O)C=CC(C)(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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)=CCc1c2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c1O)C=CC(C)(C)O2",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCCCC1=NCCN1CCO"
]
} | [
{
"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": "CCCCCCCCCCCCCCCCCC1=NCCN1CCO",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(CO)C(O)C(O)C3O)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCCCCCCCC=CCC#N"
]
} | [
{
"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)CCCCCCCCC=CCC#N",
"role": "assistant"
}
] |
{
"smiles": [
"COCCN(C(=O)C(=O)O)c1c(C)cccc1C"
]
} | [
{
"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": "COCCN(C(=O)C(=O)O)c1c(C)cccc1C",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(NC(C)=O)C(=O)N(C)C(Cc1ccccc1)C(=O)NC=Cc1c[nH]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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CCC(C)C(NC(C)=O)C(=O)N(C)C(Cc1ccccc1)C(=O)NC=Cc1c[nH]c2ccccc12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)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 provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCC=CCC=CCC=CCCCCCC1=CC(C)(O)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCCCCCCCC=CCC=CCC=CCCCCCC1=CC(C)(O)OC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cccc(-c2coc3cc(O)cc(O)c3c2=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> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COc1cccc(-c2coc3cc(O)cc(O)c3c2=O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C(C)C(=O)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COC(=O)C1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C(C)C(=O)CC12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C2C(OC(=O)Cc3ccccc3)C(C)CC2(OC(C)=O)C(=O)C(C)=CC2C(CCC13CO3)C2(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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)OC1C2C(OC(=O)Cc3ccccc3)C(C)CC2(OC(C)=O)C(=O)C(C)=CC2C(CCC13CO3)C2(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCc1cc2c(cc1=O)[nH]c1c(C)[nH]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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(C)=CCc1cc2c(cc1=O)[nH]c1c(C)[nH]ccc12",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1CCC=C2C3CC(CN12)C1CCCCN1C3"
]
} | [
{
"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": "O=C1CCC=C2C3CC(CN12)C1CCCCN1C3",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(c1cccc(F)c1)N1CC2C(c3ccccc31)C(CO)N2C(=O)C1CCOCC1"
]
} | [
{
"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(c1cccc(F)c1)N1CC2C(c3ccccc31)C(CO)N2C(=O)C1CCOCC1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCC(Cc1cc(OC)cc(OC(C)=O)c1)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCCCCCCCCCC(Cc1cc(OC)cc(OC(C)=O)c1)OC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C(OC(=O)C=Cc2ccc(O)cc2)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(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO"
]
} | [
{
"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": "OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)c1cnn(-c2ccc(F)cc2F)c1C=NNC(=S)Nc1ccccc1"
]
} | [
{
"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)c1cnn(-c2ccc(F)cc2F)c1C=NNC(=S)Nc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CC(O)C2(C)C3=CCC4C(C)(CCC(OC(C)=O)C4(C)C)C3=CCC12C"
]
} | [
{
"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)OC(CC=C(C)C(=O)O)C(C)C1CC(O)C2(C)C3=CCC4C(C)(CCC(OC(C)=O)C4(C)C)C3=CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CCC2(C)C3C(=O)OCC3=CCC2C1(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": "CC(=O)OC1CCC2(C)C3C(=O)OCC3=CCC2C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)OC1CC(C)=CC2OC(=O)C3(C)OC23C(OC(C)=O)C2C(C)C(OC(C)=O)CC(OC(C)=O)C2(C)C1OC(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": "CCCC(=O)OC1CC(C)=CC2OC(=O)C3(C)OC23C(OC(C)=O)C2C(C)C(OC(C)=O)CC(OC(C)=O)C2(C)C1OC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)CCC1CCC2(CC3OC(=O)C(C)(C)C3O2)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCC(=O)CCC1CCC2(CC3OC(=O)C(C)(C)C3O2)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)Nc1ccc2c(c1)OCC(C)N(CC1CCOCC1)CC(C)C(OC)CN(C)C2=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": "CCCC(=O)Nc1ccc2c(c1)OCC(C)N(CC1CCOCC1)CC(C)C(OC)CN(C)C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2OC(C(C)(C)O)C4)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2OC(C(C)(C)O)C4)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC(C)=C2CC=C(C)C2C2OC(=O)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> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(=O)OC1CC(C)=C2CC=C(C)C2C2OC(=O)C(C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cc(O)cc2c1C1=C(C(=O)C2=O)C(C)(C)C(C)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 give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cc1cc(O)cc2c1C1=C(C(=O)C2=O)C(C)(C)C(C)O1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)CCCCCCCCCCCCCCCF"
]
} | [
{
"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)CCCCCCCCCCCCCCCF",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=Cc1cc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)cc2c(=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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCC=Cc1cc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)cc2c(=O)o1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C(N)C(=O)NC(C(=O)O)C(O)C1CN2C(=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> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(C)C(N)C(=O)NC(C(=O)O)C(O)C1CN2C(=O)CC2O1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCC=CCCCCCCCCCC(=O)OC(CO)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> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCCCCCC=CCCCCCCCCCC(=O)OC(CO)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(=O)CCC45CC35CCC12C"
]
} | [
{
"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(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(=O)CCC45CC35CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC2(O)C(OC(C)=O)C3C4(CO4)C(O)CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(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(=O)OC1CC2(O)C(OC(C)=O)C3C4(CO4)C(O)CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=CCOC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O)CCC=C(C)COC1OC(C)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(=CCOC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O)CCC=C(C)COC1OC(C)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)CC1OCc2cc(O)c3c(c21)OC1(C3)C(C)CCC2C(C)(C)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(=O)CC1OCc2cc(O)c3c(c21)OC1(C3)C(C)CCC2C(C)(C)C(O)CCC21C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)OC1(C)CCC(O)C(C)(O)CC2OC1C1C(C(C)C)C(O)CC(C)(OC(C)=O)C21"
]
} | [
{
"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)OC1(C)CCC(O)C(C)(O)CC2OC1C1C(C(C)C)C(O)CC(C)(OC(C)=O)C21",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=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": "O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC2C=C(C)C3CC(O)CC3(O)C23C(=O)NC(CC(C)C)C3C1C"
]
} | [
{
"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=CC2C=C(C)C3CC(O)CC3(O)C23C(=O)NC(CC(C)C)C3C1C",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(c1cccc(F)c1)N1CC(=O)N2C(CO)C(c3ccc(C4=CCCC4)cc3)C2C1"
]
} | [
{
"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(c1cccc(F)c1)N1CC(=O)N2C(CO)C(c3ccc(C4=CCCC4)cc3)C2C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C(=O)CC(=O)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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(C)C(=O)CC(=O)c1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCC=CC=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": "CCCCCCCCCCC=CC=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C1C(=O)OCC2C3Cc4c(n(C)c5ccccc45)C(CC12)N3"
]
} | [
{
"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=C1C(=O)OCC2C3Cc4c(n(C)c5ccccc45)C(CC12)N3",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(CCC(C)C1CCC2C3=CCC4CC(O)C(O)CC4(C)C3CC(O)C21C)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)C1CCC2C3=CCC4CC(O)C(O)CC4(C)C3CC(O)C21C)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCCCC(=CCl)CCC(C)C=CCCC(=O)NCCC(=CC(=O)N1C(=O)C=CC1C)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "C=CCCCC(=CCl)CCC(C)C=CCCC(=O)NCCC(=CC(=O)N1C(=O)C=CC1C)OC",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CCC2CCN(C)C(=O)C(C)C(OC)CN(C)C(=O)c3cc(C#N)ccc3OCC1O2"
]
} | [
{
"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": "COC1CCC2CCN(C)C(=O)C(C)C(OC)CN(C)C(=O)c3cc(C#N)ccc3OCC1O2",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2c(OC)ccc3c2-c2c(OC)c(OC)cc4c2C(C3)N(C)CC4)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2c(OC)ccc3c2-c2c(OC)c(OC)cc4c2C(C3)N(C)CC4)cc1OC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=CCCC1(C)C2CCC(C)(C2)C1O)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. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=CCCC1(C)C2CCC(C)(C2)C1O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CCSSC(C)SC"
]
} | [
{
"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": "CCSSC(C)SC",
"role": "assistant"
}
] |
{
"smiles": [
"O=C([O-])CCCC(O)C(O)C=CC=CC=CC=CC(O)CCCCCO"
]
} | [
{
"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-])CCCC(O)C(O)C=CC=CC=CC=CC(O)CCCCCO",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1CSSCC(C(N)=O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(Cc2cnc[nH]2)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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(=O)NC1CSSCC(C(N)=O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(Cc2cnc[nH]2)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"c1cn[nH]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": "c1cn[nH]c1",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCc1ccccc1O"
]
} | [
{
"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=CCc1ccccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(OCC2OC(OC3C(O)C(CO)OC(O)C3NC(C)=O)C(NC(C)=O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(=O)NC1C(OCC2OC(OC3C(O)C(CO)OC(O)C3NC(C)=O)C(NC(C)=O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2CC3(C)CCCC(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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(OC2OCC3C(c4ccc(O)c(OC)c4)OCC23)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1cc(OC2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCC=CCCCCCCCC(=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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCCC=CCCCCCCCC(=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": [
"COc1nc(N)nc2[nH]cc(C#N)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "COc1nc(N)nc2[nH]cc(C#N)c12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CC(=O)OCC1(O)C2OC2C2C(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=COC(OC(=O)CC(C)C)C21"
]
} | [
{
"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)CC(=O)OCC1(O)C2OC2C2C(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=COC(OC(=O)CC(C)C)C21",
"role": "assistant"
}
] |
{
"smiles": [
"C#CC(O)C(N)C(=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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C#CC(O)C(N)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C(C(=O)O)C(C)(C)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1=C(C(=O)O)C(C)(C)CCC1OC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(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(CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(C)CC(O)(CC2CCC34C(=O)OC(C)(CCC3Br)C24)CCC1Br"
]
} | [
{
"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)CC(O)(CC2CCC34C(=O)OC(C)(CCC3Br)C24)CCC1Br",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)CCCn2cc(nn2)COC1CN(C)C(=O)Nc1ccc2c(c1)OCCO2"
]
} | [
{
"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": "CC1CN(C(C)CO)C(=O)CCCn2cc(nn2)COC1CN(C)C(=O)Nc1ccc2c(c1)OCCO2",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2C1CCC(=C)C1(O)CC(OC(=O)C(C)C)C(=C)C21"
]
} | [
{
"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)OC2C1CCC(=C)C1(O)CC(OC(=O)C(C)C)C(=C)C21",
"role": "assistant"
}
] |
{
"smiles": [
"COC1COc2c(O)c3c(c4ccc(C)c1c24)CCCC3(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": "COC1COc2c(O)c3c(c4ccc(C)c1c24)CCCC3(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CNC(C)CO2"
]
} | [
{
"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": "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CNC(C)CO2",
"role": "assistant"
}
] |
{
"smiles": [
"O=P([O-])([O-])OCC1OC(OC2C(CO)OC(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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "O=P([O-])([O-])OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC2C(CC1=O)C(C)CC(O)C2C(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. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1=CC2C(CC1=O)C(C)CC(O)C2C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(COC1OC(CO)C(O)C(O)C1O)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2O)CO1"
]
} | [
{
"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(COC1OC(CO)C(O)C(O)C1O)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2O)CO1",
"role": "assistant"
}
] |
{
"smiles": [
"C=CC[Se]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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=CC[Se]C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(CC2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)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> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1cc(CC2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1OC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C(O)OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)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)OC1C(O)OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=O)c(CC=C(C)C)c2c1[nH]c1ccccc12"
]
} | [
{
"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": "COc1cc(C=O)c(CC=C(C)C)c2c1[nH]c1ccccc12",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1"
]
} | [
{
"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": "Cc1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)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": "CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)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> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C1(C2CCC(=O)O2)CC(=O)c2c(O)cc3c(c2O1)C1C=CC2(C3)C(=C(O)c3c(O)cc(C)cc3C2O)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> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COC(=O)C1(C2CCC(=O)O2)CC(=O)c2c(O)cc3c(c2O1)C1C=CC2(C3)C(=C(O)c3c(O)cc(C)cc3C2O)C1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCC=CCCC=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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCC=CCCC=CCCCC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OCC(C)N(C(C)=O)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OCC(C)N(C(C)=O)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(C2(C)C(OC(C)=O)CC(=O)OC(C)(COC(C)=O)C2CC(=O)OC)C(OC=O)C(OC(=O)C(O)C(C)CC)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C1C(C2(C)C(OC(C)=O)CC(=O)OC(C)(COC(C)=O)C2CC(=O)OC)C(OC=O)C(OC(=O)C(O)C(C)CC)C2(C)C(c3ccoc3)CC(=O)C12O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C(O)Cc1cc(-c2cc(=O)c3c(O)c(CC(O)C(=C)C)c(O)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "C=C(C)C(O)Cc1cc(-c2cc(=O)c3c(O)c(CC(O)C(=C)C)c(O)cc3o2)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1NC(Cc2ccc(O)cc2)C(=O)N2CC(O)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": "O=C1NC(Cc2ccc(O)cc2)C(=O)N2CC(O)CC12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(Cl)[N+](=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. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(C)(Cl)[N+](=O)[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1nc2c(c(=O)[nH]1)NC1C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OC1N2"
]
} | [
{
"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": "Nc1nc2c(c(=O)[nH]1)NC1C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OC1N2",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1OC2C(O)C(Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c3O)OC1C2O"
]
} | [
{
"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=C1OC2C(O)C(Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c3O)OC1C2O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C=CC(C)(O)CC(C)CC=CC2C3OC3(C)C(C)C3C(Cc4ccccc4)NC(=O)C123"
]
} | [
{
"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)OC1C=CC(C)(O)CC(C)CC=CC2C3OC3(C)C(C)C3C(Cc4ccccc4)NC(=O)C123",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C1CCC(CC(=O)NCCc3ccncc3)OC1CO2"
]
} | [
{
"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": "COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C1CCC(CC(=O)NCCc3ccncc3)OC1CO2",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1CCC(c2ccc(O)c3c2C(=O)C2OC2C3O)c2cccc(O)c21"
]
} | [
{
"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=C1CCC(c2ccc(O)c3c2C(=O)C2OC2C3O)c2cccc(O)c21",
"role": "assistant"
}
] |
{
"smiles": [
"NC1C(OC2C(O)C(O)C(O)C(O)C2OP(=O)(O)OCCCCCCS)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "NC1C(OC2C(O)C(O)C(O)C(O)C2OP(=O)(O)OCCCCCCS)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCc1ccccc1"
]
} | [
{
"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": "CCCCCCCCCCCCc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])[O-]",
"role": "assistant"
}
] |
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