id
int64 0
9.51k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
200 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7127",
"role": "assistant"
}
] | |
201 | {
"selfies": [
"[I][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.1326",
"role": "assistant"
}
] | |
202 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.1073",
"role": "assistant"
}
] | |
203 | {
"selfies": [
"[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1cc(C)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3802",
"role": "assistant"
}
] | |
204 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][=C][C][=N][O][C][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"c1ccc2nocc2c1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.0041",
"role": "assistant"
}
] | |
205 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.5916",
"role": "assistant"
}
] | |
206 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cnoc1C",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0396",
"role": "assistant"
}
] | |
207 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1503",
"role": "assistant"
}
] | |
208 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"Cc1cc(-c2ccccc2)on1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.8265",
"role": "assistant"
}
] | |
209 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"Cc1cc(-c2ccccc2)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
210 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cc(C)no1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.7808",
"role": "assistant"
}
] | |
211 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1ccon1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.9356",
"role": "assistant"
}
] | |
212 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.0462",
"role": "assistant"
}
] | |
213 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Fc1cccc(F)c1-c1ccno1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1595",
"role": "assistant"
}
] | |
214 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cnoc1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
215 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cc(C)no1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4597",
"role": "assistant"
}
] | |
216 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][O][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"c1ccc2oncc2c1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.8368",
"role": "assistant"
}
] | |
217 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"Fc1cccc(F)c1-c1ccno1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4711",
"role": "assistant"
}
] | |
218 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1ccno1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.0287",
"role": "assistant"
}
] | |
219 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1ccon1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.0201",
"role": "assistant"
}
] | |
220 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring1][O]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"c1ccc(-c2ccno2)cc1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.8098",
"role": "assistant"
}
] | |
221 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.3529",
"role": "assistant"
}
] | |
222 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Cc1ccon1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.4281",
"role": "assistant"
}
] | |
223 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][=C][C][=N][O][C][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"c1ccc2nocc2c1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1186",
"role": "assistant"
}
] | |
224 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=N][O][C][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc2nocc2c1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.1535",
"role": "assistant"
}
] | |
225 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][O][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc2oncc2c1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3804",
"role": "assistant"
}
] | |
226 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Cc1cc(C)on1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7424",
"role": "assistant"
}
] | |
227 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.5287",
"role": "assistant"
}
] | |
228 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1ccon1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
229 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=N][O][C][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc2nocc2c1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0689",
"role": "assistant"
}
] | |
230 | {
"selfies": [
"[I][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1cc(C)on1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.4824",
"role": "assistant"
}
] | |
231 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cnoc1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3012",
"role": "assistant"
}
] | |
232 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cc(C)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4715",
"role": "assistant"
}
] | |
233 | {
"selfies": [
"[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][O][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc2oncc2c1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.248",
"role": "assistant"
}
] | |
234 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1cc(-c2cccs2)on1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.6323",
"role": "assistant"
}
] | |
235 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"Cc1cc(C)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4591",
"role": "assistant"
}
] | |
236 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"Cc1cc(-c2ccccc2)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3854",
"role": "assistant"
}
] | |
237 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.3953",
"role": "assistant"
}
] | |
238 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.5771",
"role": "assistant"
}
] | |
239 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Fc1cccc(F)c1-c1ccno1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.4213",
"role": "assistant"
}
] | |
240 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][O][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(OC)no1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.25",
"role": "assistant"
}
] | |
241 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][O][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cc(OC)no1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7068",
"role": "assistant"
}
] | |
242 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"Cc1cc(-c2ccccc2)on1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.8251",
"role": "assistant"
}
] | |
243 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.5437",
"role": "assistant"
}
] | |
244 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.5993",
"role": "assistant"
}
] | |
245 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"Fc1cccc(F)c1-c1ccno1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1461",
"role": "assistant"
}
] | |
246 | {
"selfies": [
"[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.0157",
"role": "assistant"
}
] | |
247 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0428",
"role": "assistant"
}
] | |
248 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"COC(=O)c1ccno1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.7271",
"role": "assistant"
}
] | |
249 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cnoc1C",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.2289",
"role": "assistant"
}
] | |
250 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0244",
"role": "assistant"
}
] | |
251 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.361",
"role": "assistant"
}
] | |
252 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"Cc1cc(-c2ccccc2)on1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7298",
"role": "assistant"
}
] | |
253 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"COC(=O)c1ccno1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0394",
"role": "assistant"
}
] | |
254 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cnoc1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0237",
"role": "assistant"
}
] | |
255 | {
"selfies": [
"[I][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7574",
"role": "assistant"
}
] | |
256 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1ccno1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1993",
"role": "assistant"
}
] | |
257 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"COC(=O)c1cc(-c2ccco2)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
258 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.0944",
"role": "assistant"
}
] | |
259 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"Fc1cccc(F)c1-c1ccno1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7963",
"role": "assistant"
}
] | |
260 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1ccon1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.8303",
"role": "assistant"
}
] | |
261 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1cc(C)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.6241",
"role": "assistant"
}
] | |
262 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=N][O][Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"Cc1cc(-n2cccc2)no1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.3921",
"role": "assistant"
}
] | |
263 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4578",
"role": "assistant"
}
] | |
264 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"COC(=O)c1ccno1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.1248",
"role": "assistant"
}
] | |
265 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1cc(-c2ccccc2)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.3162",
"role": "assistant"
}
] | |
266 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1ccon1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.401",
"role": "assistant"
}
] | |
267 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=N][O][C][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc2nocc2c1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.1544",
"role": "assistant"
}
] | |
268 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cnoc1C",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.5159",
"role": "assistant"
}
] | |
269 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=N][O][C][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc2nocc2c1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1634",
"role": "assistant"
}
] | |
270 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring1][O]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(-c2ccon2)cc1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.455",
"role": "assistant"
}
] | |
271 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=N][O][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1ccno1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.0038",
"role": "assistant"
}
] | |
272 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
273 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.7421",
"role": "assistant"
}
] | |
274 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"Cc1ccno1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0255",
"role": "assistant"
}
] | |
275 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1ccno1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.1083",
"role": "assistant"
}
] | |
276 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cc(C)no1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.006",
"role": "assistant"
}
] | |
277 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4011",
"role": "assistant"
}
] | |
278 | {
"selfies": [
"[I][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1ccon1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.5907",
"role": "assistant"
}
] | |
279 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Cc1cc(C)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.1847",
"role": "assistant"
}
] | |
280 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"Cc1ccno1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.1812",
"role": "assistant"
}
] | |
281 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=N][O][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Cc1ccno1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.183",
"role": "assistant"
}
] | |
282 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.7871",
"role": "assistant"
}
] | |
283 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][O][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cc(OC)no1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.71",
"role": "assistant"
}
] | |
284 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1ccon1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.8162",
"role": "assistant"
}
] | |
285 | {
"selfies": [
"[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.0097",
"role": "assistant"
}
] | |
286 | {
"selfies": [
"[I][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cnoc1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>.",
"role": "user"
},
{
"content": "0.5115",
"role": "assistant"
}
] | |
287 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cc(C)no1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2403",
"role": "assistant"
}
] | |
288 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)no1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0598",
"role": "assistant"
}
] | |
289 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][O][Ring1][#Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cc(OC)no1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0066",
"role": "assistant"
}
] | |
290 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.4336",
"role": "assistant"
}
] | |
291 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Fc1cccc(F)c1-c1ccno1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.2442",
"role": "assistant"
}
] | |
292 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3903",
"role": "assistant"
}
] | |
293 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.3088",
"role": "assistant"
}
] | |
294 | {
"selfies": [
"[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring1][O]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(-c2ccno2)cc1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>, what is the yield ratio?",
"role": "user"
},
{
"content": "0.0417",
"role": "assistant"
}
] | |
295 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3731",
"role": "assistant"
}
] | |
296 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.9099",
"role": "assistant"
}
] | |
297 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][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][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"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>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.1272",
"role": "assistant"
}
] | |
298 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Fc1cccc(F)c1-c1ccno1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"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>?",
"role": "user"
},
{
"content": "0.2242",
"role": "assistant"
}
] | |
299 | {
"selfies": [
"[I][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cnoc1C",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.7796",
"role": "assistant"
}
] |