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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