id
int64 0
9.51k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
100 | {
"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][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][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",
"CN(C)C(=NC(C)(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": "<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": "0.1948",
"role": "assistant"
}
] | |
101 | {
"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][=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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(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": "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": "0.0796",
"role": "assistant"
}
] | |
102 | {
"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][=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": [
"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",
"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": "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": "0.1403",
"role": "assistant"
}
] | |
103 | {
"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][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": [
"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",
"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": "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": "0.2858",
"role": "assistant"
}
] | |
104 | {
"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]",
"[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": [
"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",
"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": "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": "0.3217",
"role": "assistant"
}
] | |
105 | {
"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][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][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",
"CN(C)C(=NC(C)(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": "0.3842",
"role": "assistant"
}
] | |
106 | {
"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][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][=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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Cc1cc(-c2ccccc2)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": "0.0",
"role": "assistant"
}
] | |
107 | {
"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][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][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",
"CN1CCCN2CCCN=C12",
"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": "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": "0.3438",
"role": "assistant"
}
] | |
108 | {
"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][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][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",
"Cc1cc(-c2ccccc2)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": "<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": "0.5597",
"role": "assistant"
}
] | |
109 | {
"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][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(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",
"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": "0.1927",
"role": "assistant"
}
] | |
110 | {
"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][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][=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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"COC(=O)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": "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": "0.1854",
"role": "assistant"
}
] | |
111 | {
"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][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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"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": "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": "0.0",
"role": "assistant"
}
] | |
112 | {
"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][O][C][=Branch1][C][=O][C][C][=N][O][C][=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",
"CCOC(=O)c1cnoc1",
"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": "0.0",
"role": "assistant"
}
] | |
113 | {
"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][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][=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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Cc1cc(-c2ccccc2)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": "0.3533",
"role": "assistant"
}
] | |
114 | {
"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][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][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(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)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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.788",
"role": "assistant"
}
] | |
115 | {
"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][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][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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"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": "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": "0.081",
"role": "assistant"
}
] | |
116 | {
"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][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][S][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",
"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(-c2cccs2)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": "0.0025",
"role": "assistant"
}
] | |
117 | {
"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][=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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"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": "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": "0.2326",
"role": "assistant"
}
] | |
118 | {
"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][=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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"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": "0.1234",
"role": "assistant"
}
] | |
119 | {
"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][=N][O][C][=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)c1cnoc1",
"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": "0.0065",
"role": "assistant"
}
] | |
120 | {
"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][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]",
"[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(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",
"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": "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": "0.2405",
"role": "assistant"
}
] | |
121 | {
"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][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][Branch2][C][C][=C][O][N][=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(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",
"c1ccc(-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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.047",
"role": "assistant"
}
] | |
122 | {
"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][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][=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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.109",
"role": "assistant"
}
] | |
123 | {
"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][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(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",
"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": "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": "0.154",
"role": "assistant"
}
] | |
124 | {
"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][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][Branch1][Branch2][C][C][=N][O][C][=Ring1][Branch1][C][=C][Ring1][O]",
"[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(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(-c2cnoc2)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": "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": "0.5043",
"role": "assistant"
}
] | |
125 | {
"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][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][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(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(-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": "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": "0.352",
"role": "assistant"
}
] | |
126 | {
"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][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(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",
"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": "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": "0.0991",
"role": "assistant"
}
] | |
127 | {
"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][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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1cc(-c2cccs2)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": "<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": "0.0847",
"role": "assistant"
}
] | |
128 | {
"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][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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(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": "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": "0.2715",
"role": "assistant"
}
] | |
129 | {
"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][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",
"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": "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": "0.8284",
"role": "assistant"
}
] | |
130 | {
"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][O][N][=Ring1][Branch1][C][=C][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",
"c1ccc(-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": "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": "0.3572",
"role": "assistant"
}
] | |
131 | {
"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][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=N][O][Ring1][#Branch2]",
"[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",
"Cc1cc(-n2cccc2)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": "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": "0.6256",
"role": "assistant"
}
] | |
132 | {
"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][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(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",
"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": "0.0364",
"role": "assistant"
}
] | |
133 | {
"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][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": [
"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",
"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": "<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": "0.8599",
"role": "assistant"
}
] | |
134 | {
"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][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",
"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",
"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": "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": "0.0414",
"role": "assistant"
}
] | |
135 | {
"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][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][S][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": [
"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",
"CN1CCCN2CCCN=C12",
"COC(=O)c1cc(-c2cccs2)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": "0.2992",
"role": "assistant"
}
] | |
136 | {
"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]",
"[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",
"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(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": "0.0",
"role": "assistant"
}
] | |
137 | {
"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][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][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(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cc(C)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": "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": "0.6307",
"role": "assistant"
}
] | |
138 | {
"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][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][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(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",
"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": "0.1727",
"role": "assistant"
}
] | |
139 | {
"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]",
"[C][=C][C][=C][O][N][=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(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",
"c1ccc2oncc2c1",
"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": "0.4714",
"role": "assistant"
}
] | |
140 | {
"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]",
"[C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][=C][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(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",
"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": "0.5259",
"role": "assistant"
}
] | |
141 | {
"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][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][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(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(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": "0.3139",
"role": "assistant"
}
] | |
142 | {
"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][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][N][C][=C][C][=C][Ring1][Branch1][=N][O][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(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",
"Cc1cc(-n2cccc2)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": "0.0134",
"role": "assistant"
}
] | |
143 | {
"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][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][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(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",
"Cc1ccon1",
"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": "0.2877",
"role": "assistant"
}
] | |
144 | {
"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][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": [
"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",
"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": "<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": "0.7623",
"role": "assistant"
}
] | |
145 | {
"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][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch1][Branch2][C][C][=C][O][N][=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",
"CN1CCCN2CCCN=C12",
"c1ccc(-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": "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": "0.1515",
"role": "assistant"
}
] | |
146 | {
"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][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][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",
"CN1CCCN2CCCN=C12",
"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": "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": "0.0843",
"role": "assistant"
}
] | |
147 | {
"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][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(C2CCCCC2)C2CCCCC2)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": "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": "0.1252",
"role": "assistant"
}
] | |
148 | {
"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][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(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",
"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": "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"
}
] | |
149 | {
"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][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][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(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"Cc1ccon1",
"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": "0.9303",
"role": "assistant"
}
] | |
150 | {
"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][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(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",
"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": "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": "0.1365",
"role": "assistant"
}
] | |
151 | {
"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][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][Branch1][Branch2][C][C][=N][O][C][=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(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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(-c2cnoc2)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": "0.273",
"role": "assistant"
}
] | |
152 | {
"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][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][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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc2nocc2c1",
"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": "0.0628",
"role": "assistant"
}
] | |
153 | {
"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][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][=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",
"CN1CCCN2CCCN=C12",
"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": "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": "0.7559",
"role": "assistant"
}
] | |
154 | {
"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][=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(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": "<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": "0.2813",
"role": "assistant"
}
] | |
155 | {
"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][=N][O][Ring1][Branch1][C][=C][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",
"c1ccc(-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": "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": "0.8669",
"role": "assistant"
}
] | |
156 | {
"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][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][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",
"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(-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": "<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": "0.0794",
"role": "assistant"
}
] | |
157 | {
"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][=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(C(C)(C)C)C(C)(C)C)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": "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": "0.8851",
"role": "assistant"
}
] | |
158 | {
"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][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][S][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",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"COC(=O)c1cc(-c2cccs2)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": "<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": "0.0335",
"role": "assistant"
}
] | |
159 | {
"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][C][=C][O][N][=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",
"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(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": "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": "0.2918",
"role": "assistant"
}
] | |
160 | {
"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][=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": [
"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",
"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": "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": "0.8054",
"role": "assistant"
}
] | |
161 | {
"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][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][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(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",
"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": "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": "0.4736",
"role": "assistant"
}
] | |
162 | {
"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][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(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",
"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": "0.0",
"role": "assistant"
}
] | |
163 | {
"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][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][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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1ccon1",
"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": "0.3423",
"role": "assistant"
}
] | |
164 | {
"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][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",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cc(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": "<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": "0.6797",
"role": "assistant"
}
] | |
165 | {
"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][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": [
"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",
"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": "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": "0.7395",
"role": "assistant"
}
] | |
166 | {
"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][Ring1][O][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(OC)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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.2594",
"role": "assistant"
}
] | |
167 | {
"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]",
"[C][=C][C][=C][Branch1][Branch2][C][C][=C][O][N][=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": [
"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",
"c1ccc(-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": "0.0158",
"role": "assistant"
}
] | |
168 | {
"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][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][=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(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",
"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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
169 | {
"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][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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1cc(-c2cccs2)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": "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": "0.759",
"role": "assistant"
}
] | |
170 | {
"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][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][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(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)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": "0.3037",
"role": "assistant"
}
] | |
171 | {
"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][S][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(-c2cccs2)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": "0.0081",
"role": "assistant"
}
] | |
172 | {
"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][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][=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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"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": "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": "0.0",
"role": "assistant"
}
] | |
173 | {
"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][=C][C][=C][Branch1][Branch2][C][C][=N][O][C][=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",
"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(-c2cnoc2)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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.283",
"role": "assistant"
}
] | |
174 | {
"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][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][=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(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(-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": "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": "0.2098",
"role": "assistant"
}
] | |
175 | {
"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]",
"[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",
"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(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": "0.4625",
"role": "assistant"
}
] | |
176 | {
"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][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": [
"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",
"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": "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": "0.1214",
"role": "assistant"
}
] | |
177 | {
"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][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][=N][O][C][=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(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",
"CN1CCCN2CCCN=C12",
"c1ccc(-c2cnoc2)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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.2853",
"role": "assistant"
}
] | |
178 | {
"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][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": [
"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",
"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": "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"
}
] | |
179 | {
"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][=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(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",
"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": "<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": "0.0293",
"role": "assistant"
}
] | |
180 | {
"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][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",
"CN(C)C(=NC(C)(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": "<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": "0.5683",
"role": "assistant"
}
] | |
181 | {
"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][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][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",
"CN1CCCN2CCCN=C12",
"c1ccc(-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": "0.1",
"role": "assistant"
}
] | |
182 | {
"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][=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": [
"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)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": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
183 | {
"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][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][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",
"CCOC(=O)c1cnoc1C",
"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": "0.1814",
"role": "assistant"
}
] | |
184 | {
"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][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(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",
"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": "<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": "0.3623",
"role": "assistant"
}
] | |
185 | {
"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][O][N][=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",
"c1ccc2oncc2c1",
"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": "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": "0.3989",
"role": "assistant"
}
] | |
186 | {
"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][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][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",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1ccon1",
"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": "0.5139",
"role": "assistant"
}
] | |
187 | {
"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][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",
"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",
"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": "0.0173",
"role": "assistant"
}
] | |
188 | {
"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][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][=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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"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": "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": "0.0",
"role": "assistant"
}
] | |
189 | {
"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][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",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"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": "<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": "0.0088",
"role": "assistant"
}
] | |
190 | {
"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][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][=N][O][C][=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(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)c1cnoc1",
"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": "0.0",
"role": "assistant"
}
] | |
191 | {
"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][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][#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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.2462",
"role": "assistant"
}
] | |
192 | {
"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][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][=N][O][C][=Ring1][Branch1][C][=C][Ring1][O]",
"[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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(-c2cnoc2)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": "0.8514",
"role": "assistant"
}
] | |
193 | {
"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][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][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",
"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)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": "0.6481",
"role": "assistant"
}
] | |
194 | {
"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][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][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(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",
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0",
"role": "assistant"
}
] | |
195 | {
"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][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": [
"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",
"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": "<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": "0.5558",
"role": "assistant"
}
] | |
196 | {
"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][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(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)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": "0.2427",
"role": "assistant"
}
] | |
197 | {
"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][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",
"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",
"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": "<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": "0.1491",
"role": "assistant"
}
] | |
198 | {
"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][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][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(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",
"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": "0.0",
"role": "assistant"
}
] | |
199 | {
"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][O][C][=Branch1][C][=O][C][C][=N][O][C][=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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cnoc1",
"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": "0.0629",
"role": "assistant"
}
] |