messages listlengths 2 2 |
|---|
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 300.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 328.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC(=O)NCCCCCCNC(=O)OC</SMILES> in <SMILES>CCO</SMILES> at 333.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1</SMILES> in <SMILES>CCO</SMILES> at 277.85 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1</SMILES> in <SMILES>CCO</SMILES> at 288.45 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1</SMILES> in <SMILES>CCO</SMILES> at 298.45 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1</SMILES> in <SMILES>CCO</SMILES> at 308.35 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1</SMILES> in <SMILES>CCO</SMILES> at 313.45 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1</SMILES> in <SMILES>CCO</SMILES> at 329.75 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1</SMILES> in <SMILES>CCO</SMILES> at 333.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)CCc1ccc(O)cc1</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)CCc1ccc(O)cc1</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)CCc1ccc(O)cc1</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)CCc1ccc(O)cc1</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)CCc1ccc(O)cc1</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)CCc1ccc(O)cc1</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)CCc1ccc(O)cc1</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 268.35 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 273.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 283.21 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 293.05 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1cnccn1</SMILES> in <SMILES>CCO</SMILES> at 308.35 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 285.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 290.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 295.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 300.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 305.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 310.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 315.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1cccc(C(=O)O)c1[N+](=O)[O-]</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant... |
[
{
"content": "Predict the solubility of <SMILES>C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.2",
"role": "assistant... |
[
{
"content": "Predict the solubility of <SMILES>C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.1",
"role": "assistant... |
[
{
"content": "Predict the solubility of <SMILES>C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0",
"role": "assistant"
... |
[
{
"content": "Predict the solubility of <SMILES>C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0",
"role": "assistant"
... |
[
{
"content": "Predict the solubility of <SMILES>C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"... |
[
{
"content": "Predict the solubility of <SMILES>C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"... |
[
{
"content": "Predict the solubility of <SMILES>C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.3",
"role": "assistant"... |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Cc1ccc(S(=O)[O-])cc1.[Na+]</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1ccn([N+](=O)[O-])n1</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1c(O)ccc2ccccc12</SMILES> in <SMILES>CCO</SMILES> at 285.7 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1c(O)ccc2ccccc12</SMILES> in <SMILES>CCO</SMILES> at 288.9 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1c(O)ccc2ccccc12</SMILES> in <SMILES>CCO</SMILES> at 293.05 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1c(O)ccc2ccccc12</SMILES> in <SMILES>CCO</SMILES> at 297 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1c(O)ccc2ccccc12</SMILES> in <SMILES>CCO</SMILES> at 301.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1c(O)ccc2ccccc12</SMILES> in <SMILES>CCO</SMILES> at 304.55 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1c(O)ccc2ccccc12</SMILES> in <SMILES>CCO</SMILES> at 310.05 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1c(O)ccc2ccccc12</SMILES> in <SMILES>CCO</SMILES> at 314.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 289.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 292.6 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 296.25 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 299.95 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
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