id
int64 0
9.51k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
9,500 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][Branch1][C][O][O]",
"[O]",
"[Fe+2]",
"[K+1]",
"[OH1-1]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"[Fe+2]",
"[K+]",
"[OH-]",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Analyzing the chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.2222",
"role": "assistant"
}
] | |
9,501 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[Fe+2]",
"[Li+1]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Fe+2]",
"[Li+]",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3353",
"role": "assistant"
}
] | |
9,502 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[Na+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.2179",
"role": "assistant"
}
] | |
9,503 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[C][O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[Na+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Examining the chemical equation <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.9007",
"role": "assistant"
}
] | |
9,504 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][Branch2][C][=C][C][=C][CH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][Branch2][C][=C][C][=C][CH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[O]",
"[Fe]",
"[Na+1]",
"[OH1-1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CC(C)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"[Fe]",
"[Na+]",
"[OH-]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Analyzing the chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.255",
"role": "assistant"
}
] | |
9,505 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][Branch1][C][O][O]",
"[O]",
"[Cs+1]",
"[F-1]",
"[Fe+2]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"[Cs+]",
"[F-]",
"[Fe+2]",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "What is the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>?",
"role": "user"
},
{
"content": "0.164",
"role": "assistant"
}
] | |
9,506 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B-1][Branch1][C][F][Branch1][C][F][F]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[K+1]",
"[Na+1]",
"[OH1-1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Ic1ccc2ncccc2c1",
"O",
"[K+]",
"[Na+]",
"[OH-]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.1793",
"role": "assistant"
}
] | |
9,507 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B-1][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[K+1]",
"[Na+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"Clc1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[K+]",
"[Na+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "What is the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>?",
"role": "user"
},
{
"content": "0.1707",
"role": "assistant"
}
] | |
9,508 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][Branch1][C][O][O]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "What is the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>?",
"role": "user"
},
{
"content": "0.6018",
"role": "assistant"
}
] | |
9,509 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][Br]",
"[Cl]",
"[O]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[O][B][Branch1][C][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[Na+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cl",
"O",
"O",
"O=C([O-])O",
"OB(O)c1ccc2ncccc2c1",
"[Na+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Given the chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2293",
"role": "assistant"
}
] | |
9,510 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][Br]",
"[Cl]",
"[O]",
"[O]",
"[O][B][Branch1][C][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[K+1]",
"[OH1-1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cl",
"O",
"O",
"OB(O)c1ccc2ncccc2c1",
"[K+]",
"[OH-]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Examining the chemical equation <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2894",
"role": "assistant"
}
] | |
9,511 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B-1][Branch1][C][F][Branch1][C][F][F]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[K+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[K+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Analyzing the chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.1631",
"role": "assistant"
}
] | |
9,512 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[Fe+2]",
"[Na+1]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"O=C([O-])O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Fe+2]",
"[Na+]",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "What is the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>?",
"role": "user"
},
{
"content": "0.1414",
"role": "assistant"
}
] | |
9,513 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"O=C([O-])O",
"[Na+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Examining the chemical equation <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4707",
"role": "assistant"
}
] | |
9,514 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]",
"[K+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"O=P([O-])([O-])[O-]",
"[K+]",
"[K+]",
"[K+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Analyzing the chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.6805",
"role": "assistant"
}
] |