id
int64 0
9.51k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
9,400 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=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][Br]",
"[F][B-1][Branch1][C][F][Branch1][C][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[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(=O)O~CC(=O)O~[Pd]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"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>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
9,401 | {
"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]",
"[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]",
"[F][B-1][Branch1][C][F][Branch1][C][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"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>>><molecule_2d> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2827",
"role": "assistant"
}
] | |
9,402 | {
"selfies": [
"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][Branch1][C][O][O]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Fe]",
"[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]",
"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)c1B(O)O",
"Clc1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[Fe]",
"[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": "Please provide 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": "0.2756",
"role": "assistant"
}
] | |
9,403 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"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][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][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[Fe]",
"[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": [
"C1CCOC1",
"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",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"O",
"O=P([O-])([O-])[O-]",
"[Fe]",
"[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": "Examining the chemical equation <molecule_2d>.<molecule_2d>.<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 of the reaction?",
"role": "user"
},
{
"content": "0.484",
"role": "assistant"
}
] | |
9,404 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[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]",
"[Cs+1]",
"[F-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]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cl",
"O",
"O",
"OB(O)c1ccc2ncccc2c1",
"[Cs+]",
"[F-]",
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
9,405 | {
"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][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][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][=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": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"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": "<molecule_2d>.<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": "0.5744",
"role": "assistant"
}
] | |
9,406 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][O][B][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][C][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][Br]",
"[O]",
"[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#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"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": "Please provide 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": "0.4064",
"role": "assistant"
}
] | |
9,407 | {
"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][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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][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",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"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": "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": "0.3581",
"role": "assistant"
}
] | |
9,408 | {
"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-1][Branch1][C][F][Branch1][C][F][F]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Cs+1]",
"[F-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)c1[B-](F)(F)F",
"Clc1ccc2ncccc2c1",
"O",
"[Cs+]",
"[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>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.1562",
"role": "assistant"
}
] | |
9,409 | {
"selfies": [
"[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][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]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"[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": "0.3186",
"role": "assistant"
}
] | |
9,410 | {
"selfies": [
"[C][C][#N]",
"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][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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Fe]",
"[Li+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)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CC(C)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"O",
"[Fe]",
"[Li+]",
"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": "0.9186",
"role": "assistant"
}
] | |
9,411 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"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][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][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]",
"[Fe]",
"[Li+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]",
"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",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Fe]",
"[Li+]",
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.4963",
"role": "assistant"
}
] | |
9,412 | {
"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]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[K+1]",
"[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#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Clc1ccc2ncccc2c1",
"O",
"[K+]",
"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": "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>.",
"role": "user"
},
{
"content": "0.1958",
"role": "assistant"
}
] | |
9,413 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=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][Br]",
"[F][B-1][Branch1][C][F][Branch1][C][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[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": [
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"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": "Given 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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
9,414 | {
"selfies": [
"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][Branch1][C][C][Branch1][C][C][O-1]",
"[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]",
"[Fe]",
"[Li+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]",
"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",
"CC(C)(C)[O-]",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cl",
"O",
"O",
"OB(O)c1ccc2ncccc2c1",
"[Fe]",
"[Li+]",
"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>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
9,415 | {
"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][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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][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",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"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": "0.589",
"role": "assistant"
}
] | |
9,416 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][O][B][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][C][C]",
"[C][C][N][Branch1][Ring1][C][C][C][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][Br]",
"[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]",
"[O]",
"[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][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"CCN(CC)CC",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"O",
"O",
"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>.",
"role": "user"
},
{
"content": "0.6872",
"role": "assistant"
}
] | |
9,417 | {
"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][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][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]",
"[Cs+1]",
"[F-1]",
"[Fe]",
"[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]",
"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",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"[Cs+]",
"[F-]",
"[Fe]",
"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>.<molecule_2d>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.389",
"role": "assistant"
}
] | |
9,418 | {
"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][Branch1][C][O][O]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Fe+2]",
"[Na+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": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Clc1ccc2ncccc2c1",
"O",
"[Fe+2]",
"[Na+]",
"[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": "Please provide 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": "0.1387",
"role": "assistant"
}
] | |
9,419 | {
"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][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]",
"[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]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"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": "Given the chemical reaction <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": "0.1593",
"role": "assistant"
}
] | |
9,420 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"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][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]",
"[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": [
"C1CCOC1",
"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",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"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": "Examining the chemical equation <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 of the reaction?",
"role": "user"
},
{
"content": "0.7601",
"role": "assistant"
}
] | |
9,421 | {
"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]",
"[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": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1959",
"role": "assistant"
}
] | |
9,422 | {
"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][Branch1][C][O][O]",
"[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]",
"[Na+1]",
"[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]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=C([O-])O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Na+]",
"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": "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": "0.9228",
"role": "assistant"
}
] | |
9,423 | {
"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][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][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]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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": "According to the provided 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": "0.232",
"role": "assistant"
}
] | |
9,424 | {
"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][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[O]",
"[Cs+1]",
"[F-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",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"[Cs+]",
"[F-]",
"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": "0.0361",
"role": "assistant"
}
] | |
9,425 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][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][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]",
"[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#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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": "Please provide 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": "0.6806",
"role": "assistant"
}
] | |
9,426 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Cs+1]",
"[F-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]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"O",
"[Cs+]",
"[F-]",
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2954",
"role": "assistant"
}
] | |
9,427 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][C][Branch1][C][C][O][B][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][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]",
"[O]",
"[O]",
"[Li+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]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CC(C)(C)[O-]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"O",
"[Li+]",
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2741",
"role": "assistant"
}
] | |
9,428 | {
"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][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]",
"[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(=O)O~CC(=O)O~[Pd]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"CO",
"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": "Please provide 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": "0.7031",
"role": "assistant"
}
] | |
9,429 | {
"selfies": [
"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][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]",
"[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]",
"[Li+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]",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"Clc1ccc2ncccc2c1",
"O",
"[Li+]",
"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": "According to the provided 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": "0.0267",
"role": "assistant"
}
] | |
9,430 | {
"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-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]",
"[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]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Ic1ccc2ncccc2c1",
"O",
"[K+]",
"[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>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1585",
"role": "assistant"
}
] | |
9,431 | {
"selfies": [
"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][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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Cs+1]",
"[F-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]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Ic1ccc2ncccc2c1",
"O",
"[Cs+]",
"[F-]",
"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": "0.7772",
"role": "assistant"
}
] | |
9,432 | {
"selfies": [
"[C][C][#N]",
"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": [
"CC#N",
"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": "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": "0.1112",
"role": "assistant"
}
] | |
9,433 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][O][B][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][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]",
"[O]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]",
"[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]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"O",
"O=C([O-])O",
"[Na+]",
"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": "According to the provided 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": "0.6167",
"role": "assistant"
}
] | |
9,434 | {
"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][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][N][Branch1][Ring1][C][C][C][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][Branch1][C][O][O]",
"[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][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.6095",
"role": "assistant"
}
] | |
9,435 | {
"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]",
"[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": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"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": "<molecule_2d>.<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": "0.1558",
"role": "assistant"
}
] | |
9,436 | {
"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][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][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]",
"[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",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"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": "0.1612",
"role": "assistant"
}
] | |
9,437 | {
"selfies": [
"[C][C][#N]",
"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][N][Branch1][Ring1][C][C][C][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]",
"[Fe]",
"[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)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CC(C)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"[Fe]",
"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>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.1431",
"role": "assistant"
}
] | |
9,438 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=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-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]",
"[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]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[K+]",
"[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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.128",
"role": "assistant"
}
] | |
9,439 | {
"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]",
"[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]",
"[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]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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": "0.3392",
"role": "assistant"
}
] | |
9,440 | {
"selfies": [
"[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][#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][Branch1][C][O][O]",
"[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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "According to the provided 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": "0.8404",
"role": "assistant"
}
] | |
9,441 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][#N]",
"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][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]",
"[Cs+1]",
"[F-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": [
"Brc1ccc2ncccc2c1",
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"[Cs+]",
"[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": "Given 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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1488",
"role": "assistant"
}
] | |
9,442 | {
"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][Branch1][C][O][O]",
"[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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[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#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"Ic1ccc2ncccc2c1",
"O",
"[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": "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>?",
"role": "user"
},
{
"content": "0.8125",
"role": "assistant"
}
] | |
9,443 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[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]",
"[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]",
"[F][B-1][Branch1][C][F][Branch1][C][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O]",
"[Cs+1]",
"[F-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(=O)O~CC(=O)O~[Pd]",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"O",
"[Cs+]",
"[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": "Examining the chemical equation <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 of the reaction?",
"role": "user"
},
{
"content": "0.5692",
"role": "assistant"
}
] | |
9,444 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"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][N][Branch1][Ring1][C][C][C][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][Br]",
"[F][B-1][Branch1][C][F][Branch1][C][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O]",
"[Fe]",
"[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": [
"C1CCOC1",
"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",
"CCN(CC)CC",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"O",
"[Fe]",
"[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": "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": "0.4065",
"role": "assistant"
}
] | |
9,445 | {
"selfies": [
"[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][Branch1][C][C][O][B][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][C][C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[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]",
"[O]",
"[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][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"CCN(CC)CC",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"O",
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.4673",
"role": "assistant"
}
] | |
9,446 | {
"selfies": [
"[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][Branch1][C][O][O]",
"[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]",
"[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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=C([O-])O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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": "0.8913",
"role": "assistant"
}
] | |
9,447 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[C][C][N][Branch1][Ring1][C][C][C][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][Br]",
"[Cl]",
"[O]",
"[O]",
"[O][B][Branch1][C][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=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][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCN(CC)CC",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cl",
"O",
"O",
"OB(O)c1ccc2ncccc2c1",
"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>?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
9,448 | {
"selfies": [
"[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][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]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Clc1ccc2ncccc2c1",
"O",
"[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": "Please provide 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": "0.1848",
"role": "assistant"
}
] | |
9,449 | {
"selfies": [
"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]",
"[I][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]",
"[Fe]",
"[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(=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",
"Ic1ccc2ncccc2c1",
"O",
"O=P([O-])([O-])[O-]",
"[Fe]",
"[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": "Given 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>.<molecule_2d>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7755",
"role": "assistant"
}
] | |
9,450 | {
"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-1][Branch1][C][F][Branch1][C][F][F]",
"[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": [
"Brc1ccc2ncccc2c1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"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": "Given 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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3541",
"role": "assistant"
}
] | |
9,451 | {
"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][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][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]",
"[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]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"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": "According to the provided chemical equation <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": "0.4401",
"role": "assistant"
}
] | |
9,452 | {
"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][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[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)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"Clc1ccc2ncccc2c1",
"O",
"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": "According to the provided chemical equation <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": "0.0819",
"role": "assistant"
}
] | |
9,453 | {
"selfies": [
"[C][C][#N]",
"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][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]",
"[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#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.9615",
"role": "assistant"
}
] | |
9,454 | {
"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][Branch1][C][C][Branch1][C][C][O-1]",
"[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]",
"[Li+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",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"[Fe]",
"[Li+]",
"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>.<molecule_2d>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2589",
"role": "assistant"
}
] | |
9,455 | {
"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][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[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][=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": [
"Brc1ccc2ncccc2c1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"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": "<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": "0.1061",
"role": "assistant"
}
] | |
9,456 | {
"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][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[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-1][Branch1][C][F][Branch1][C][F][F]",
"[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": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"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": "<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": "0.1424",
"role": "assistant"
}
] | |
9,457 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[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]",
"[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": [
"Brc1ccc2ncccc2c1",
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "<molecule_2d>.<molecule_2d>.<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": "0.0105",
"role": "assistant"
}
] | |
9,458 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[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]",
"[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]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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>>><molecule_2d> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.1724",
"role": "assistant"
}
] | |
9,459 | {
"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][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][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]",
"[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": [
"Brc1ccc2ncccc2c1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"[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": "<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": "0.5869",
"role": "assistant"
}
] | |
9,460 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"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][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]",
"[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]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"O",
"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": "0.8635",
"role": "assistant"
}
] | |
9,461 | {
"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][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][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-1][Branch1][C][F][Branch1][C][F][F]",
"[O]",
"[Cs+1]",
"[F-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": [
"Brc1ccc2ncccc2c1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"[Cs+]",
"[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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.252",
"role": "assistant"
}
] | |
9,462 | {
"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][O-1]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][N][Branch1][C][C][C][=O]",
"[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][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]",
"[K+1]",
"[Li+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)[O-]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"[K+]",
"[Li+]",
"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": "Please provide 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": "0.116",
"role": "assistant"
}
] | |
9,463 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][O][B][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][C][C]",
"[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][N][Branch1][Ring1][C][C][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]",
"[O]",
"[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][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCN(CC)CC",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"O",
"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": "According to the provided chemical equation <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": "0.0",
"role": "assistant"
}
] | |
9,464 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"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-1][Branch1][C][F][Branch1][C][F][F]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[K+1]",
"[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": [
"C1CCOC1",
"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)c1[B-](F)(F)F",
"Clc1ccc2ncccc2c1",
"O",
"[K+]",
"[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": "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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.174",
"role": "assistant"
}
] | |
9,465 | {
"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]",
"[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]",
"[O]",
"[O]",
"[O][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[O][B][Branch1][C][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[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(=O)O~CC(=O)O~[Pd]",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"Cl",
"O",
"O",
"O=P([O-])([O-])[O-]",
"OB(O)c1ccc2ncccc2c1",
"[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": "Examining the chemical equation <molecule_2d>.<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 of the reaction?",
"role": "user"
},
{
"content": "0.4305",
"role": "assistant"
}
] | |
9,466 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][O][B][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][C][C]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][Br]",
"[O]",
"[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]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"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": "Given 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 of the reaction?",
"role": "user"
},
{
"content": "0.6783",
"role": "assistant"
}
] | |
9,467 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[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][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]",
"[Li+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)(C)[O-]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[K+]",
"[Li+]",
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.1018",
"role": "assistant"
}
] | |
9,468 | {
"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][=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]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Fe+2]",
"[Na+]",
"[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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0638",
"role": "assistant"
}
] | |
9,469 | {
"selfies": [
"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][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-1][Branch1][C][F][Branch1][C][F][F]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Fe]",
"[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]",
"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",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Clc1ccc2ncccc2c1",
"O",
"[Fe]",
"[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": "0.2352",
"role": "assistant"
}
] | |
9,470 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][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-1][Branch1][C][F][Branch1][C][F][F]",
"[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]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"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": "0.1538",
"role": "assistant"
}
] | |
9,471 | {
"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][Branch1][C][C][Branch1][C][C][C][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][Branch1][C][O][O]",
"[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][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(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.538",
"role": "assistant"
}
] | |
9,472 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"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][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]",
"[Fe+2]",
"[K+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]",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Ic1ccc2ncccc2c1",
"O",
"[Fe+2]",
"[K+]",
"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": "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>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.3484",
"role": "assistant"
}
] | |
9,473 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][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]",
"[I][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)(C)P(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7351",
"role": "assistant"
}
] | |
9,474 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][O][B][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][C][C]",
"[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][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]",
"[O]",
"[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]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3565",
"role": "assistant"
}
] | |
9,475 | {
"selfies": [
"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][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]",
"[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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Li+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]",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"Ic1ccc2ncccc2c1",
"O",
"[Li+]",
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.8258",
"role": "assistant"
}
] | |
9,476 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[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]",
"[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]",
"[Cs+1]",
"[F-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]",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Cs+]",
"[F-]",
"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>?",
"role": "user"
},
{
"content": "0.0296",
"role": "assistant"
}
] | |
9,477 | {
"selfies": [
"[C][C][#N]",
"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][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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Fe]",
"[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#N",
"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",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Ic1ccc2ncccc2c1",
"O",
"[Fe]",
"[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": "Given 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 of the reaction?",
"role": "user"
},
{
"content": "0.8927",
"role": "assistant"
}
] | |
9,478 | {
"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][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][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]",
"[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]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"[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": "<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": "0.1077",
"role": "assistant"
}
] | |
9,479 | {
"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][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][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]",
"[Cs+1]",
"[F-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]",
"CCc1cccc(CC)c1",
"CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Ic1ccc2ncccc2c1",
"O",
"[Cs+]",
"[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": "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": "0.1294",
"role": "assistant"
}
] | |
9,480 | {
"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][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]",
"[Cs+1]",
"[F-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)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"[Cs+]",
"[F-]",
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1456",
"role": "assistant"
}
] | |
9,481 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"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][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]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[Fe]",
"[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": [
"C1CCOC1",
"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",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Clc1ccc2ncccc2c1",
"O",
"[Fe]",
"[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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.123",
"role": "assistant"
}
] | |
9,482 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[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][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"O",
"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": "0.4139",
"role": "assistant"
}
] | |
9,483 | {
"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][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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][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][=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": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "<molecule_2d>.<molecule_2d>.<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": "0.9254",
"role": "assistant"
}
] | |
9,484 | {
"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][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][Branch1][C][O][O]",
"[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]",
"[O]",
"[Li+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",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"O",
"[Li+]",
"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": "0.7333",
"role": "assistant"
}
] | |
9,485 | {
"selfies": [
"[C][C][#N]",
"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][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]",
"[Fe]",
"[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#N",
"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",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cl",
"O",
"O",
"OB(O)c1ccc2ncccc2c1",
"[Fe]",
"[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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<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": "0.3323",
"role": "assistant"
}
] | |
9,486 | {
"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][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]",
"[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": [
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"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": "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>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.2079",
"role": "assistant"
}
] | |
9,487 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][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-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]",
"[Cs+1]",
"[F-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(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Cs+]",
"[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": "<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": "0.1167",
"role": "assistant"
}
] | |
9,488 | {
"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]",
"[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][Branch1][C][O][O]",
"[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": [
"Brc1ccc2ncccc2c1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4817",
"role": "assistant"
}
] | |
9,489 | {
"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][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][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][=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]",
"[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",
"CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"O=C([O-])O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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": "<molecule_2d>.<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": "0.1559",
"role": "assistant"
}
] | |
9,490 | {
"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][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]",
"[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]",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"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>.",
"role": "user"
},
{
"content": "0.0821",
"role": "assistant"
}
] | |
9,491 | {
"selfies": [
"[C][C][#N]",
"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][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]",
"[Cs+1]",
"[F-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]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Cs+]",
"[F-]",
"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": "According to the provided 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": "0.8831",
"role": "assistant"
}
] | |
9,492 | {
"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][N][Branch1][Ring1][C][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][Branch1][C][O][O]",
"[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][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2926",
"role": "assistant"
}
] | |
9,493 | {
"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][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[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][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)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"Ic1ccc2ncccc2c1",
"O",
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.5842",
"role": "assistant"
}
] | |
9,494 | {
"selfies": [
"[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][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]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Clc1ccc2ncccc2c1",
"O",
"[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": "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>?",
"role": "user"
},
{
"content": "0.6994",
"role": "assistant"
}
] | |
9,495 | {
"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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][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][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[O]",
"[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(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"[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": "According to the provided 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": "0.765",
"role": "assistant"
}
] | |
9,496 | {
"selfies": [
"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][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[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]",
"[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(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"O",
"O=P([O-])([O-])[O-]",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.5683",
"role": "assistant"
}
] | |
9,497 | {
"selfies": [
"[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][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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2666",
"role": "assistant"
}
] | |
9,498 | {
"selfies": [
"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][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]",
"[F][B-1][Branch1][C][F][Branch1][C][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O]",
"[Cs+1]",
"[F-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(=O)O~CC(=O)O~[Pd]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"O",
"[Cs+]",
"[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": "According to the provided chemical equation <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 of the reaction?",
"role": "user"
},
{
"content": "0.31",
"role": "assistant"
}
] | |
9,499 | {
"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][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][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]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[Na+]",
"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": "<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": "0.1702",
"role": "assistant"
}
] |