MMChat SFT
Collection
27 items
•
Updated
id
int64 0
9.51k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(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(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": "0.0368",
"role": "assistant"
}
] | |
1 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][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(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(-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": "<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": "0.3654",
"role": "assistant"
}
] | |
2 | {
"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][=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",
"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)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": "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": "0.1244",
"role": "assistant"
}
] | |
3 | {
"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][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",
"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)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": "0.6464",
"role": "assistant"
}
] | |
4 | {
"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]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"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",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3702",
"role": "assistant"
}
] | |
5 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"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",
"Fc1cccc(F)c1-c1ccno1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<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": "0.1627",
"role": "assistant"
}
] | |
6 | {
"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][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.149",
"role": "assistant"
}
] | |
7 | {
"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][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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(-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": "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": "0.123",
"role": "assistant"
}
] | |
8 | {
"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][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][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(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",
"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": "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": "0.434",
"role": "assistant"
}
] | |
9 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1cc(-c2ccccc2)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": "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": "0.6062",
"role": "assistant"
}
] | |
10 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][C][=C][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",
"CN1CCCN2CCCN=C12",
"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": "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": "0.8305",
"role": "assistant"
}
] | |
11 | {
"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][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",
"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": "<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": "0.2785",
"role": "assistant"
}
] | |
12 | {
"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][C][C][O][N][=Ring1][=Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"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": "0.0342",
"role": "assistant"
}
] | |
13 | {
"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][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"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": "0.0631",
"role": "assistant"
}
] | |
14 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][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",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.5026",
"role": "assistant"
}
] | |
15 | {
"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][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][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",
"CN(C)C(=NC(C)(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": "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": "0.3444",
"role": "assistant"
}
] | |
16 | {
"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][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)c2ccno2)cc1",
"CCc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.0658",
"role": "assistant"
}
] | |
17 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(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",
"c1ccc(CN(Cc2ccccc2)c2ccon2)cc1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3935",
"role": "assistant"
}
] | |
18 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"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": "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": "0.8138",
"role": "assistant"
}
] | |
19 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][=C][C][=N][O][C][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"c1ccc2nocc2c1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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"
}
] | |
20 | {
"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][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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(-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": "<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": "0.1605",
"role": "assistant"
}
] | |
21 | {
"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][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"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",
"CCOC(=O)c1cc(C)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.753",
"role": "assistant"
}
] | |
22 | {
"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][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(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)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": "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": "0.1174",
"role": "assistant"
}
] | |
23 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring1][O]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"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": "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": "0.4426",
"role": "assistant"
}
] | |
24 | {
"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][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][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",
"CN1CCCN2CCCN=C12",
"Fc1cccc(F)c1-c1ccno1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.0237",
"role": "assistant"
}
] | |
25 | {
"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][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)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": "0.0086",
"role": "assistant"
}
] | |
26 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][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][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1cc(-n2cccc2)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": "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": "0.5366",
"role": "assistant"
}
] | |
27 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=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": [
"Brc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"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": "<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": "0.6306",
"role": "assistant"
}
] | |
28 | {
"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][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C]",
"[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",
"CCOC(=O)c1cnoc1C",
"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": "0.1027",
"role": "assistant"
}
] | |
29 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][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(Br)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1ccon1",
"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": "0.0964",
"role": "assistant"
}
] | |
30 | {
"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][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",
"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",
"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": "0.0224",
"role": "assistant"
}
] | |
31 | {
"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][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"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",
"COC(=O)c1ccno1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.0455",
"role": "assistant"
}
] | |
32 | {
"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][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": [
"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",
"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> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0509",
"role": "assistant"
}
] | |
33 | {
"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][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(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",
"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": "0.4902",
"role": "assistant"
}
] | |
34 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch1][Branch2][C][C][=N][O][C][=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(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"c1ccc(-c2cnoc2)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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.5384",
"role": "assistant"
}
] | |
35 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][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(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1cc(C)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.6606",
"role": "assistant"
}
] | |
36 | {
"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][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"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",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.8465",
"role": "assistant"
}
] | |
37 | {
"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][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][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",
"CN(C)C(=NC(C)(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": "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": "0.3561",
"role": "assistant"
}
] | |
38 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"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": "0.8233",
"role": "assistant"
}
] | |
39 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][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][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"Cc1cc(-n2cccc2)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": "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": "0.4845",
"role": "assistant"
}
] | |
40 | {
"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][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": [
"Ic1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(-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": "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": "0.5894",
"role": "assistant"
}
] | |
41 | {
"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][Branch1][C][C][=N][O][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)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": "0.0204",
"role": "assistant"
}
] | |
42 | {
"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][=C][C][=C][O][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc2oncc2c1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<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": "0.3611",
"role": "assistant"
}
] | |
43 | {
"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][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(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cc(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": "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": "0.4049",
"role": "assistant"
}
] | |
44 | {
"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][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(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": "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": "0.0164",
"role": "assistant"
}
] | |
45 | {
"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][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",
"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(C)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0903",
"role": "assistant"
}
] | |
46 | {
"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]",
"[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",
"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(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.1805",
"role": "assistant"
}
] | |
47 | {
"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][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][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",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1cnoc1C",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Examining the chemical equation <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.3507",
"role": "assistant"
}
] | |
48 | {
"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][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][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",
"CN1CCCN2CCCN=C12",
"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": "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": "0.0081",
"role": "assistant"
}
] | |
49 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN1CCCN2CCCN=C12",
"CCOC(=O)c1ccon1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.8493",
"role": "assistant"
}
] | |
50 | {
"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][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",
"CN1CCCN2CCCN=C12",
"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": "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": "0.494",
"role": "assistant"
}
] | |
51 | {
"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][=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(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",
"c1ccc2oncc2c1",
"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"
}
] | |
52 | {
"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][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.0095",
"role": "assistant"
}
] | |
53 | {
"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][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(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",
"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": "<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": "0.2109",
"role": "assistant"
}
] | |
54 | {
"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][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(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",
"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": "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": "0.286",
"role": "assistant"
}
] | |
55 | {
"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][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(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",
"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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.3395",
"role": "assistant"
}
] | |
56 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(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": "0.711",
"role": "assistant"
}
] | |
57 | {
"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][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",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(-c2ccon2)cc1",
"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": "0.0246",
"role": "assistant"
}
] | |
58 | {
"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][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.3802",
"role": "assistant"
}
] | |
59 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][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",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cc(C)on1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.3146",
"role": "assistant"
}
] | |
60 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][O][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"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(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": "0.6775",
"role": "assistant"
}
] | |
61 | {
"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][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)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": "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": "0.5802",
"role": "assistant"
}
] | |
62 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][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",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(-c2ccon2)cc1",
"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": "0.4848",
"role": "assistant"
}
] | |
63 | {
"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][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][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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"CCOC(=O)c1cnoc1C",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.0075",
"role": "assistant"
}
] | |
64 | {
"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][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][=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(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",
"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": "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": "0.0597",
"role": "assistant"
}
] | |
65 | {
"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][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(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(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": "<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"
}
] | |
66 | {
"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][=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": [
"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",
"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> Referring to the chemical equation, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0968",
"role": "assistant"
}
] | |
67 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch1][Branch2][C][C][=N][O][C][=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",
"CN(C)C(=NC(C)(C)C)N(C)C",
"c1ccc(-c2cnoc2)cc1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "What is the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>?",
"role": "user"
},
{
"content": "0.0331",
"role": "assistant"
}
] | |
68 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=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(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",
"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": "<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": "0.2859",
"role": "assistant"
}
] | |
69 | {
"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][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": [
"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",
"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": "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": "0.5926",
"role": "assistant"
}
] | |
70 | {
"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][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(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",
"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": "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": "0.0368",
"role": "assistant"
}
] | |
71 | {
"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][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(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",
"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": "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": "0.6144",
"role": "assistant"
}
] | |
72 | {
"selfies": [
"[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][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",
"CN1CCCN2CCCN=C12",
"COC(=O)c1ccno1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.2658",
"role": "assistant"
}
] | |
73 | {
"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][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(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",
"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": "0.029",
"role": "assistant"
}
] | |
74 | {
"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][=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",
"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(-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": "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": "0.6876",
"role": "assistant"
}
] | |
75 | {
"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][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"CCc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"Fc1cccc(F)c1-c1ccno1",
"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": "0.2811",
"role": "assistant"
}
] | |
76 | {
"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][=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",
"Cc1ccno1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.0258",
"role": "assistant"
}
] | |
77 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][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][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(-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> Using the chemical reaction information, what is the ratio of the reaction's yield?",
"role": "user"
},
{
"content": "0.7461",
"role": "assistant"
}
] | |
78 | {
"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][C][C][C][N][C][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"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",
"CN1CCCN2CCCN=C12",
"COC(=O)c1cc(-c2ccco2)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.615",
"role": "assistant"
}
] | |
79 | {
"selfies": [
"[Cl][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Clc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"COC(=O)c1ccno1",
"Cc1ccc(Nc2ccccn2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.1169",
"role": "assistant"
}
] | |
80 | {
"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][=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(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CN1CCCN2CCCN=C12",
"c1ccc2nocc2c1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.0307",
"role": "assistant"
}
] | |
81 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][C][=C][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",
"Cc1ccon1",
"Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Please provide the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.135",
"role": "assistant"
}
] | |
82 | {
"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][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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.5081",
"role": "assistant"
}
] | |
83 | {
"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][O][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(Cl)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"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",
"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": "0.0",
"role": "assistant"
}
] | |
84 | {
"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][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][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",
"CN1CCCN2CCCN=C12",
"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": "<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": "0.8607",
"role": "assistant"
}
] | |
85 | {
"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][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": [
"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",
"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": "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": "0.5823",
"role": "assistant"
}
] | |
86 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(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)c1cc(C)on1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.3087",
"role": "assistant"
}
] | |
87 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(I)cc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"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",
"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": "0.4086",
"role": "assistant"
}
] | |
88 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"COC(=O)c1ccno1",
"Cc1ccc(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": "0.1106",
"role": "assistant"
}
] | |
89 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Ic1cccnc1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"c1ccc(CN(Cc2ccccc2)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": "Predict the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.5846",
"role": "assistant"
}
] | |
90 | {
"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][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": [
"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",
"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": "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": "0.869",
"role": "assistant"
}
] | |
91 | {
"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][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"COc1ccc(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",
"Cc1cc(C)on1",
"COc1ccc(Nc2ccc(C)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, what is the yield ratio of the reaction?",
"role": "user"
},
{
"content": "0.0032",
"role": "assistant"
}
] | |
92 | {
"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][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][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",
"CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C",
"CCOC(=O)c1cnoc1C",
"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": "0.1486",
"role": "assistant"
}
] | |
93 | {
"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][Branch1][Branch2][C][C][=N][O][C][=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",
"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(-c2cnoc2)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": "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": "0.1352",
"role": "assistant"
}
] | |
94 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring2][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(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",
"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": "0.1076",
"role": "assistant"
}
] | |
95 | {
"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][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",
"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",
"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": "0.0",
"role": "assistant"
}
] | |
96 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][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",
"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",
"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": "0.3041",
"role": "assistant"
}
] | |
97 | {
"selfies": [
"[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][N][Branch1][C][C][C][=Branch1][#Branch2][=N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][=C][C][=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(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"CN(C)C(=NC(C)(C)C)N(C)C",
"Cc1ccno1",
"Cc1ccc(Nc2cccnc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "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": "0.1205",
"role": "assistant"
}
] | |
98 | {
"selfies": [
"[Br][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][O]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Brc1ccccn1",
"Cc1ccc(N)cc1",
"O=S(=O)(O[Pd]1Nc2ccccc2-c2ccccc21)C(F)(F)F",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1",
"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(Nc2ccccn2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nThe return value should be in range of 0-1. The higher the value, the more likely the reaction is to occur. \nWe provide the structure of the reactions.",
"role": "system"
},
{
"content": "Please provide the yield ratio of the reaction <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "0.7634",
"role": "assistant"
}
] | |
99 | {
"selfies": [
"[C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][Pd][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C]",
"[C][C][N][=P][Branch2][Ring1][=Branch1][N][=P][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"[C][=C][C][=C][Branch1][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(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",
"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": "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": "0.2542",
"role": "assistant"
}
] |
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