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[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cccc2ccccc12</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>CC(=O)Nc1ccc(O)cc1</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>CC(=O)Nc1ccc(O)cc1</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>CC(=O)Nc1ccc(O)cc1</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)Nc1ccc(O)cc1</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>CC(=O)Nc1ccc(O)cc1</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-])N1CC([N+](=O)[O-])([N+](=O)[O-])C1</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>O=[N+]([O-])N1CC([N+](=O)[O-])([N+](=O)[O-])C1</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>O=[N+]([O-])N1CC([N+](=O)[O-])([N+](=O)[O-])C1</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>O=[N+]([O-])N1CC([N+](=O)[O-])([N+](=O)[O-])C1</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>O=[N+]([O-])N1CC([N+](=O)[O-])([N+](=O)[O-])C1</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 288.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 293.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 298.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 303.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 308.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 313.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 318.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 323.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12</SMILES> in <SMILES>CCO</SMILES> at 328.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C(O)CCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C(O)CCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C(O)CCC(=O)O</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>O=C(O)CCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C(O)CCC(=O)O</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>O=C(O)CCC(=O)O</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>O=C(O)CCC(=O)O</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=C(O)CCC(=O)O</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>O=C(O)CCC(=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>O=C(O)CCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C(O)CCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 328.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C(O)CCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 333.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 328.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 333.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 338.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 282.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 286.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 290.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</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>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 297.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 302.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 307.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 311.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 315.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)NCC(=O)O</SMILES> in <SMILES>CCO</SMILES> at 319.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 288.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 293.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 298.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 303.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 308.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 313.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 318.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 323.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1</SMILES> in <SMILES>CCO</SMILES> at 328.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 280.35 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 284.35 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</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>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 292.25 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 296.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 300.25 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</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>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 307.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 311.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 315.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1</SMILES> in <SMILES>CCO</SMILES> at 319.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Clc1ccc(OCCCBr)cc1</SMILES> in <SMILES>CCO</SMILES> at 273.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Clc1ccc(OCCCBr)cc1</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>Clc1ccc(OCCCBr)cc1</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>Clc1ccc(OCCCBr)cc1</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>Clc1ccc(OCCCBr)cc1</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Clc1ccc(OCCCBr)cc1</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Clc1ccc(OCCCBr)cc1</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>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 328.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl</SMILES> in <SMILES>CCO</SMILES> at 333.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 270.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 280.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 290.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 300.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 310.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O</SMILES> in <SMILES>CCO</SMILES> at 320.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.6",
"role": "assistant"
}
] |
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