id
int64 0
9.51k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
9,200 | {
"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]",
"[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": [
"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+]",
"[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>>><molecule_2d>?",
"role": "user"
},
{
"content": "0.184",
"role": "assistant"
}
] | |
9,201 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[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][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][Branch1][C][O][O]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[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-]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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>?",
"role": "user"
},
{
"content": "0.6693",
"role": "assistant"
}
] | |
9,202 | {
"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]",
"[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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"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": "<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": "0.2161",
"role": "assistant"
}
] | |
9,203 | {
"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-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": [
"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)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": "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": "0.1779",
"role": "assistant"
}
] | |
9,204 | {
"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][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-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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)[O-]",
"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": "<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": "0.2317",
"role": "assistant"
}
] | |
9,205 | {
"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][N][Branch1][C][C][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][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",
"CN(C)C=O",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"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": "What is 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": "0.3004",
"role": "assistant"
}
] | |
9,206 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][Branch1][C][O][O]",
"[O]",
"[Fe+2]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"[Fe+2]",
"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>.",
"role": "user"
},
{
"content": "0.2045",
"role": "assistant"
}
] | |
9,207 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][Branch2][C][=C][C][=C][CH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][Branch2][C][=C][C][=C][CH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][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]",
"[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": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CC(C)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"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": "<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": "0.1536",
"role": "assistant"
}
] | |
9,208 | {
"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][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]",
"[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",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)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": "Analyzing 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?",
"role": "user"
},
{
"content": "0.0839",
"role": "assistant"
}
] | |
9,209 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][Branch2][C][=C][C][=C][CH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][Branch2][C][=C][C][=C][CH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][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]",
"[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": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CC(C)(C)P(C1=CC=C[CH]1)C(C)(C)C",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "<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": "0.1478",
"role": "assistant"
}
] | |
9,210 | {
"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][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]",
"[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",
"CN(C)C=O",
"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": "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": "0.3736",
"role": "assistant"
}
] | |
9,211 | {
"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][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]",
"[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",
"CO",
"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": "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": "0.4607",
"role": "assistant"
}
] | |
9,212 | {
"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][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]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.732",
"role": "assistant"
}
] | |
9,213 | {
"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]",
"[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]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"CO",
"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>>><molecule_2d> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.0773",
"role": "assistant"
}
] | |
9,214 | {
"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][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][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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"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": "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": "0.5353",
"role": "assistant"
}
] | |
9,215 | {
"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]",
"[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",
"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": "0.0",
"role": "assistant"
}
] | |
9,216 | {
"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][Branch1][C][O][O]",
"[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",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "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": "0.0889",
"role": "assistant"
}
] | |
9,217 | {
"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][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]",
"[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-]",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"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": "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": "0.2625",
"role": "assistant"
}
] | |
9,218 | {
"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][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][Branch1][C][O][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": [
"Brc1ccc2ncccc2c1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)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": "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": "0.8244",
"role": "assistant"
}
] | |
9,219 | {
"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][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]",
"[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]",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"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": "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": "0.116",
"role": "assistant"
}
] | |
9,220 | {
"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]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[Na+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.1575",
"role": "assistant"
}
] | |
9,221 | {
"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]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=C][C][=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",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)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>?",
"role": "user"
},
{
"content": "0.2485",
"role": "assistant"
}
] | |
9,222 | {
"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][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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"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": "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": "0.3264",
"role": "assistant"
}
] | |
9,223 | {
"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-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": [
"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)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": "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": "0.179",
"role": "assistant"
}
] | |
9,224 | {
"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]",
"[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]",
"[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]",
"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",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.6764",
"role": "assistant"
}
] | |
9,225 | {
"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][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",
"CO",
"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": "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": "0.5402",
"role": "assistant"
}
] | |
9,226 | {
"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]",
"[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]",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"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": "<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": "0.315",
"role": "assistant"
}
] | |
9,227 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"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": "<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": "0.0512",
"role": "assistant"
}
] | |
9,228 | {
"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]",
"[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",
"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": "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": "0.2881",
"role": "assistant"
}
] | |
9,229 | {
"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]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"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",
"Clc1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[Na+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<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": "0.3089",
"role": "assistant"
}
] | |
9,230 | {
"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]",
"[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]",
"[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",
"O",
"O=P([O-])([O-])[O-]",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[K+]",
"[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": "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>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.1352",
"role": "assistant"
}
] | |
9,231 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][Br]",
"[Cl]",
"[O]",
"[O]",
"[O][=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": [
"CC(=O)O~CC(=O)O~[Pd]",
"CN(C)C=O",
"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": "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": "0.1863",
"role": "assistant"
}
] | |
9,232 | {
"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][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]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=C][C][=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)c1B(O)O",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)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": "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": "0.5596",
"role": "assistant"
}
] | |
9,233 | {
"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-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#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)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": "<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": "0.2066",
"role": "assistant"
}
] | |
9,234 | {
"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][Branch1][C][O][O]",
"[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]",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "<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": "0.6757",
"role": "assistant"
}
] | |
9,235 | {
"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][Branch1][C][O][O]",
"[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)c1B(O)O",
"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": "<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": "0.9023",
"role": "assistant"
}
] | |
9,236 | {
"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][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]",
"[Fe]",
"[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]",
"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",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"O",
"[Fe]",
"[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": "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>>><molecule_2d>?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
9,237 | {
"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][N][Branch1][C][C][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]",
"[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",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.6226",
"role": "assistant"
}
] | |
9,238 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][C][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][Branch1][C][O][O]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)[O-]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.8521",
"role": "assistant"
}
] | |
9,239 | {
"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][N][Branch1][Ring1][C][C][C][C]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][Branch1][C][O][O]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=C][C][=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",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)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": "Analyzing 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?",
"role": "user"
},
{
"content": "0.2791",
"role": "assistant"
}
] | |
9,240 | {
"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-1][Branch1][C][F][Branch1][C][F][F]",
"[O]",
"[Fe]",
"[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": [
"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)c1[B-](F)(F)F",
"O",
"[Fe]",
"[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": "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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2546",
"role": "assistant"
}
] | |
9,241 | {
"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][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]",
"[Na+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Clc1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[Na+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.0785",
"role": "assistant"
}
] | |
9,242 | {
"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]",
"[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]",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Ic1ccc2ncccc2c1",
"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": "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": "0.2252",
"role": "assistant"
}
] | |
9,243 | {
"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][Branch1][C][O][O]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[O][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]",
"[K+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Clc1ccc2ncccc2c1",
"O",
"O=P([O-])([O-])[O-]",
"[K+]",
"[K+]",
"[K+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<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": "0.1523",
"role": "assistant"
}
] | |
9,244 | {
"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][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]",
"[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": [
"Brc1ccc2ncccc2c1",
"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",
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.6662",
"role": "assistant"
}
] | |
9,245 | {
"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][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B-1][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]",
"[O]",
"[O][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[K+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]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"O",
"O=P([O-])([O-])[O-]",
"[K+]",
"[K+]",
"[K+]",
"[K+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Analyzing the chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.1353",
"role": "assistant"
}
] | |
9,246 | {
"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-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)(C)P(C(C)(C)C)C(C)(C)C",
"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": "<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": "0.1468",
"role": "assistant"
}
] | |
9,247 | {
"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]",
"[I][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)c1B(O)O",
"Ic1ccc2ncccc2c1",
"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": "Please provide 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": "0.8447",
"role": "assistant"
}
] | |
9,248 | {
"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]",
"[O]",
"[O]",
"[Fe+2]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][=C][C][=C][Branch2][Ring1][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C-1][C][=C][C][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"CCN(CC)CC",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"O",
"[Fe+2]",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"c1ccc(P(c2ccccc2)[c-]2cccc2)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.0",
"role": "assistant"
}
] | |
9,249 | {
"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][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]",
"[K+1]",
"[OH1-1]",
"[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": [
"Brc1ccc2ncccc2c1",
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"[K+]",
"[OH-]",
"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": "0.7672",
"role": "assistant"
}
] | |
9,250 | {
"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][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]",
"[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",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"O",
"[Fe]",
"[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>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4641",
"role": "assistant"
}
] | |
9,251 | {
"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][Branch1][C][O][O]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=C][C][=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)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)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": "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": "0.6677",
"role": "assistant"
}
] | |
9,252 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B-1][Branch1][C][F][Branch1][C][F][F]",
"[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][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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Clc1ccc2ncccc2c1",
"O",
"O=C([O-])O",
"[K+]",
"[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": "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": "0.2131",
"role": "assistant"
}
] | |
9,253 | {
"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][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][Branch1][C][O][O]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[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": [
"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",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Fe]",
"[Na+]",
"[OH-]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Analyzing the chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.4187",
"role": "assistant"
}
] | |
9,254 | {
"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][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]",
"[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",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"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": "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": "0.1596",
"role": "assistant"
}
] | |
9,255 | {
"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-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#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",
"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": "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": "0.1761",
"role": "assistant"
}
] | |
9,256 | {
"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]",
"[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]",
"[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(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Ic1ccc2ncccc2c1",
"O",
"O=P([O-])([O-])[O-]",
"[K+]",
"[K+]",
"[K+]",
"[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": "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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1908",
"role": "assistant"
}
] | |
9,257 | {
"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][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B-1][Branch1][C][F][Branch1][C][F][F]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[K+1]",
"[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",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Ic1ccc2ncccc2c1",
"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": "Analyzing 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?",
"role": "user"
},
{
"content": "0.2098",
"role": "assistant"
}
] | |
9,258 | {
"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][N][Branch1][Ring1][C][C][C][C]",
"[C][N][Branch1][C][C][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][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",
"CCN(CC)CC",
"CN(C)C=O",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"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": "0.3804",
"role": "assistant"
}
] | |
9,259 | {
"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-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]",
"[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": [
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3705",
"role": "assistant"
}
] | |
9,260 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[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": [
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)[O-]",
"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",
"Ic1ccc2ncccc2c1",
"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": "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": "0.1182",
"role": "assistant"
}
] | |
9,261 | {
"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][N][Branch1][Ring1][C][C][C][C]",
"[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][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",
"CCN(CC)CC",
"CO",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"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"
}
] | |
9,262 | {
"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]",
"[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": [
"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",
"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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.4833",
"role": "assistant"
}
] | |
9,263 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][Br]",
"[Cl]",
"[O]",
"[O]",
"[O][=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][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]",
"CN(C)C=O",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cl",
"O",
"O",
"O=P([O-])([O-])[O-]",
"OB(O)c1ccc2ncccc2c1",
"[K+]",
"[K+]",
"[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": "<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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.5561",
"role": "assistant"
}
] | |
9,264 | {
"selfies": [
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[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]",
"[Cl]",
"[O]",
"[O]",
"[O][B][Branch1][C][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[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-]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"Cl",
"O",
"O",
"OB(O)c1ccc2ncccc2c1",
"[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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.9219",
"role": "assistant"
}
] | |
9,265 | {
"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][Branch1][C][O][O]",
"[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": [
"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)c1B(O)O",
"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": "<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": "0.479",
"role": "assistant"
}
] | |
9,266 | {
"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][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][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#N",
"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",
"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": "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": "0.3787",
"role": "assistant"
}
] | |
9,267 | {
"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][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]",
"[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",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.3394",
"role": "assistant"
}
] | |
9,268 | {
"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-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][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[K+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(=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)c1[B-](F)(F)F",
"Clc1ccc2ncccc2c1",
"O",
"O=P([O-])([O-])[O-]",
"[K+]",
"[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>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4345",
"role": "assistant"
}
] | |
9,269 | {
"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]",
"[O][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]",
"[K+1]",
"[K+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"Clc1ccc2ncccc2c1",
"O",
"O=P([O-])([O-])[O-]",
"[K+]",
"[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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1617",
"role": "assistant"
}
] | |
9,270 | {
"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][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]",
"[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)OB(c2ccc3ncccc3c2)OC1(C)C",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"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": "0.4075",
"role": "assistant"
}
] | |
9,271 | {
"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][Branch1][C][O][O]",
"[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": [
"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)c1B(O)O",
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4273",
"role": "assistant"
}
] | |
9,272 | {
"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-1][Branch1][C][F][Branch1][C][F][F]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][S][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[K+1]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CCc1cccc(CC)c1",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[K+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Analyzing the chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.2457",
"role": "assistant"
}
] | |
9,273 | {
"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]",
"[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][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",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[K+]",
"[OH-]",
"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": "Analyzing 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?",
"role": "user"
},
{
"content": "0.8387",
"role": "assistant"
}
] | |
9,274 | {
"selfies": [
"[C][C][#N]",
"CC(=O)O~CC(=O)O~[Pd]",
"[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]",
"[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]",
"CCN(CC)CC",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"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": "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": "0.5981",
"role": "assistant"
}
] | |
9,275 | {
"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-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]",
"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+]",
"[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": "0.2324",
"role": "assistant"
}
] | |
9,276 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][Branch1][C][O][O]",
"[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]",
"[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)c1B(O)O",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"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": "0.5171",
"role": "assistant"
}
] | |
9,277 | {
"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-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": [
"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)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": "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": "0.1557",
"role": "assistant"
}
] | |
9,278 | {
"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]",
"[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][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)c1B1OC(C)(C)C(C)(C)O1",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Cs+]",
"[F-]",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Analyzing 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?",
"role": "user"
},
{
"content": "0.8305",
"role": "assistant"
}
] | |
9,279 | {
"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]",
"[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#N",
"CC(=O)O~CC(=O)O~[Pd]",
"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": "<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": "0.1753",
"role": "assistant"
}
] | |
9,280 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[Cl][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[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)[O-]",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Clc1ccc2ncccc2c1",
"O",
"[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>.",
"role": "user"
},
{
"content": "0.9253",
"role": "assistant"
}
] | |
9,281 | {
"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][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]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CCN(CC)CC",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"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": "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": "0.6872",
"role": "assistant"
}
] | |
9,282 | {
"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][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]",
"[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": [
"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",
"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": "0.2157",
"role": "assistant"
}
] | |
9,283 | {
"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][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]",
"[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",
"CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"O",
"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": "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": "0.7901",
"role": "assistant"
}
] | |
9,284 | {
"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][Branch1][C][O][O]",
"[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(=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)c1B(O)O",
"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": "<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": "0.4999",
"role": "assistant"
}
] | |
9,285 | {
"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]",
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O]",
"[K+1]",
"[OH1-1]",
"[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",
"CO",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Ic1ccc2ncccc2c1",
"O",
"[K+]",
"[OH-]",
"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>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.8321",
"role": "assistant"
}
] | |
9,286 | {
"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][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(=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",
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.7608",
"role": "assistant"
}
] | |
9,287 | {
"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][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]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"Clc1ccc2ncccc2c1",
"O",
"O=P([O-])([O-])[O-]",
"[K+]",
"[K+]",
"[K+]",
"Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.0268",
"role": "assistant"
}
] | |
9,288 | {
"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]",
"[O][=P][Branch1][C][O-1][Branch1][C][O-1][O-1]",
"[K+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(=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",
"O=P([O-])([O-])[O-]",
"[K+]",
"[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": "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>>><molecule_2d>?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
9,289 | {
"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][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][=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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"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": "Analyzing 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?",
"role": "user"
},
{
"content": "0.5291",
"role": "assistant"
}
] | |
9,290 | {
"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][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": [
"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)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": "Analyzing 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?",
"role": "user"
},
{
"content": "0.086",
"role": "assistant"
}
] | |
9,291 | {
"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]",
"[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)c1B(O)O",
"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": "<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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.8813",
"role": "assistant"
}
] | |
9,292 | {
"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]",
"[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]",
"[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",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[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>?",
"role": "user"
},
{
"content": "0.5762",
"role": "assistant"
}
] | |
9,293 | {
"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][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": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"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": "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": "0.1756",
"role": "assistant"
}
] | |
9,294 | {
"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][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]",
"[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(C(C)(C)C)C(C)(C)C",
"Cc1ccc2c(cnn2C2CCCCO2)c1Br",
"F[B-](F)(F)c1ccc2ncccc2c1",
"O",
"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": "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": "0.4223",
"role": "assistant"
}
] | |
9,295 | {
"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][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",
"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": "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": "0.3429",
"role": "assistant"
}
] | |
9,296 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"CC(=O)O~CC(=O)O~[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2]",
"[C][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]",
"[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": [
"C1CCOC1",
"CC(=O)O~CC(=O)O~[Pd]",
"CC(C)(C)[O-]",
"CCc1cccc(CC)c1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"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": "<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": "0.7713",
"role": "assistant"
}
] | |
9,297 | {
"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-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]",
"[Fe]",
"[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)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)c1[B-](F)(F)F",
"O",
"O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F",
"[Fe]",
"[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": "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": "0.1421",
"role": "assistant"
}
] | |
9,298 | {
"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][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]",
"[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",
"CN(C)C=O",
"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": "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": "0.2128",
"role": "assistant"
}
] | |
9,299 | {
"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][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]",
"[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": [
"Brc1ccc2ncccc2c1",
"CC#N",
"CC(=O)O~CC(=O)O~[Pd]",
"CCc1cccc(CC)c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"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": "<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": "0.7311",
"role": "assistant"
}
] |