id
int64 0
1.55k
| molecules
dict | ground_truth
stringlengths 10
167
| messages
listlengths 3
3
|
|---|---|---|---|
0 | {
"selfies": [
"[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]",
"[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]"
],
"smiles": [
"CN(C)C(=O)CC(C)(C)CC(=O)O",
"CN(C)C(=O)Nc1cccc(N)c1",
"C1CCOC1",
"CCN(CC)CC",
"CS(=O)(=O)Cl"
]
} | CN(C)C(=O)CC(C)(C)CC(=O)Nc1cccc(NC(=O)N(C)C)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CN(C)C(=O)CC(C)(C)CC(=O)Nc1cccc(NC(=O)N(C)C)c1",
"role": "assistant"
}
] |
1 | {
"selfies": [
"[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]"
],
"smiles": [
"CC(C)=CCCC(C)CCOc1ccc(Br)cc1",
"COB(OC)OC",
"C1CCOC1",
"Cl"
]
} | CC(C)=CCCC(C)CCOc1ccc(B(O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)CCOc1ccc(B(O)O)cc1",
"role": "assistant"
}
] |
2 | {
"selfies": [
"[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"O=C(O)Cc1ccccc1F",
"C1CCOC1",
"Cl",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | OCCc1ccccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "OCCc1ccccc1F",
"role": "assistant"
}
] |
3 | {
"selfies": [
"[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][S][C]"
],
"smiles": [
"CN(C)C(=O)c1ccc(N)cc1C(F)(F)F",
"C1CCOC1",
"CO",
"CSC"
]
} | CN(C)Cc1ccc(N)cc1C(F)(F)F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CN(C)Cc1ccc(N)cc1C(F)(F)F",
"role": "assistant"
}
] |
4 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][O][C][Branch1][C][N][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[O]",
"[Cl-1]",
"[Na+1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CCOc1c(C(C)=O)cc(Cl)c(F)c1C(N)CO[Si](C)(C)C(C)(C)C",
"C1CCOC1",
"CCN(C(C)C)C(C)C",
"O",
"[Cl-]",
"[Na+]"
]
} | CCOc1c(C(C)=O)cc(Cl)c(F)c1C(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CCOc1c(C(C)=O)cc(Cl)c(F)c1C(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C",
"role": "assistant"
}
] |
5 | {
"selfies": [
"[N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[BH4-1]"
],
"smiles": [
"Nc1cc(Cl)c(Br)cc1C(=O)O",
"C1CCOC1",
"[BH4-]"
]
} | Nc1cc(Cl)c(Br)cc1CO | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "Nc1cc(Cl)c(Br)cc1CO",
"role": "assistant"
}
] |
6 | {
"selfies": [
"[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][#N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][=Branch1][C][=O][O]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Fe]"
],
"smiles": [
"CC(C)COc1cccc([N+](=O)[O-])c1C#N",
"C1CCOC1",
"CC(=O)O",
"CCOC(C)=O",
"[Fe]"
]
} | CC(C)COc1cccc(N)c1C#N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CC(C)COc1cccc(N)c1C#N",
"role": "assistant"
}
] |
7 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][Cl]",
"[O]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"CC(C)(C)c1ccc(C(=O)O)cc1[N+](=O)[O-]",
"C1CCOC1",
"CCN(CC)CC",
"CCOC(=O)Cl",
"O",
"[BH4-]",
"[Na+]"
]
} | CC(C)(C)c1ccc(CO)cc1[N+](=O)[O-] | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CC(C)(C)c1ccc(CO)cc1[N+](=O)[O-]",
"role": "assistant"
}
] |
8 | {
"selfies": [
"[N][#C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[O][=C][=O]"
],
"smiles": [
"N#CCc1ccc([N+](=O)[O-])cc1",
"C1CCOC1",
"CO",
"O",
"O=C=O"
]
} | N#CCc1ccc(N)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "N#CCc1ccc(N)cc1",
"role": "assistant"
}
] |
9 | {
"selfies": [
"[N][#C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[BH4-1]",
"[Li+1]"
],
"smiles": [
"N#CCc1ccc(C(F)(F)F)c(F)c1",
"C1CCOC1",
"CO",
"C[Si](C)(C)Cl",
"[BH4-]",
"[Li+]"
]
} | NCCc1ccc(C(F)(F)F)c(F)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "NCCc1ccc(C(F)(F)F)c(F)c1",
"role": "assistant"
}
] |
10 | {
"selfies": [
"[C][=C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"C=Cc1ccc(OC(C)=O)cc1",
"C1CCOC1",
"Cl",
"[Na+]",
"[OH-]"
]
} | C=Cc1ccc(O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "C=Cc1ccc(O)cc1",
"role": "assistant"
}
] |
11 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Ring1][#Branch2]",
"[O][C][C][N][C][C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1",
"OCCNCCO",
"C1CCOC1"
]
} | O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)CCO)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)CCO)c1",
"role": "assistant"
}
] |
12 | {
"selfies": [
"[C][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Ring2][C][C][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"CCCc1cc(C(F)(F)F)cc(CCC)c1C=CC(=O)OC",
"C1CCOC1",
"CO",
"[Li+]",
"[OH-]"
]
} | CCCc1cc(C(F)(F)F)cc(CCC)c1C=CC(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCCc1cc(C(F)(F)F)cc(CCC)c1C=CC(=O)O",
"role": "assistant"
}
] |
13 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"[O][=C][Branch1][C][Cl][C][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"Cc1ccc(N)cc1[N+](=O)[O-]",
"O=C(Cl)CCl",
"C1CCOC1",
"CCN(CC)CC"
]
} | Cc1ccc(NC(=O)CCl)cc1[N+](=O)[O-] | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Cc1ccc(NC(=O)CCl)cc1[N+](=O)[O-]",
"role": "assistant"
}
] |
14 | {
"selfies": [
"[C][N][C]",
"[C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#Branch2][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]"
],
"smiles": [
"CNC",
"Cc1cc(S(=O)(=O)Cl)ccc1Br",
"C1CCOC1",
"CCN(C(C)C)C(C)C"
]
} | Cc1cc(S(=O)(=O)N(C)C)ccc1Br | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "Cc1cc(S(=O)(=O)N(C)C)ccc1Br",
"role": "assistant"
}
] |
15 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][S][C]",
"[Cl][C][Cl]"
],
"smiles": [
"CC(=O)Nc1cccc(O)c1",
"B",
"C1CCOC1",
"CO",
"CSC",
"ClCCl"
]
} | CCNc1cccc(O)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CCNc1cccc(O)c1",
"role": "assistant"
}
] |
16 | {
"selfies": [
"[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCN(CC)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1",
"C1CCOC1",
"O",
"[Na+]",
"[OH-]"
]
} | CCN(CC)CC(C)Nc1ccc(Cl)c(Cl)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CCN(CC)CC(C)Nc1ccc(Cl)c(Cl)c1",
"role": "assistant"
}
] |
17 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[F][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"Fc1ccccc1Br",
"C1CCOC1",
"[Li]CCCC"
]
} | OB(O)c1ccccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "OB(O)c1ccccc1F",
"role": "assistant"
}
] |
18 | {
"selfies": [
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li][C][C][C][C]"
],
"smiles": [
"COB(OC)OC",
"COc1cc(Br)ccc1F",
"C1CCOC1",
"[Li]CCCC"
]
} | COc1cc(B(O)O)ccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COc1cc(B(O)O)ccc1F",
"role": "assistant"
}
] |
19 | {
"selfies": [
"[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][#N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Pd]"
],
"smiles": [
"CC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N",
"C1CCOC1",
"[Pd]"
]
} | CC(C)S(=O)(=O)c1ccc(N)cc1C#N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(C)S(=O)(=O)c1ccc(N)cc1C#N",
"role": "assistant"
}
] |
20 | {
"selfies": [
"[C][O][C][C][O][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][=O][C][=C][Ring1][N][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[BH4-1]",
"[Cl-1]",
"[Li+1]",
"[NH4+1]"
],
"smiles": [
"COCCOCOc1ccc(CCOC(C)=O)cc1OC",
"C1CCOC1",
"[BH4-]",
"[Cl-]",
"[Li+]",
"[NH4+]"
]
} | COCCOCOc1ccc(CCO)cc1OC | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COCCOCOc1ccc(CCO)cc1OC",
"role": "assistant"
}
] |
21 | {
"selfies": [
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[N][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Li][C][C][C][C]"
],
"smiles": [
"COB(OC)OC",
"N#Cc1ccc(Br)cc1",
"C1CCOC1",
"Cl",
"[Li]CCCC"
]
} | N#Cc1ccc(B(O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "N#Cc1ccc(B(O)O)cc1",
"role": "assistant"
}
] |
22 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]"
],
"smiles": [
"O=C(O)c1ccc(C(F)(F)F)cc1O",
"C1CCOC1",
"O"
]
} | OCc1ccc(C(F)(F)F)cc1O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "OCc1ccc(C(F)(F)F)cc1O",
"role": "assistant"
}
] |
23 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][N][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"Cc1cc(C)c(O)c(N)c1",
"C1CCOC1"
]
} | Cc1cc(C)c(O)c(NC(=O)OC(C)(C)C)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "Cc1cc(C)c(O)c(NC(=O)OC(C)(C)C)c1",
"role": "assistant"
}
] |
24 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)CS(=O)(=O)N(C(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1",
"C1CCOC1",
"CCOC(C)=O",
"O",
"[Li+]",
"[OH-]"
]
} | COc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)CC(=O)O)cc1OC | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)CC(=O)O)cc1OC",
"role": "assistant"
}
] |
25 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl]",
"[Cl-1]",
"[NH4+1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"COC(=O)c1ccccc1CN",
"C1CCOC1",
"CCN(CC)CC",
"Cl",
"[Cl-]",
"[NH4+]"
]
} | COC(=O)c1ccccc1CNC(=O)OC(C)(C)C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COC(=O)c1ccccc1CNC(=O)OC(C)(C)C",
"role": "assistant"
}
] |
26 | {
"selfies": [
"[C][C][O][C][=C][C][=C][Branch1][Branch1][C][C][C][=O][C][Branch1][C][F][=C][Ring1][O][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[N]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CCOc1ccc(CCC=O)c(F)c1F",
"C1CCOC1",
"CCOC(C)=O",
"N",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | CCOc1ccc(CCCO)c(F)c1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CCOc1ccc(CCCO)c(F)c1F",
"role": "assistant"
}
] |
27 | {
"selfies": [
"[C][=C][C][=Branch1][C][=O][Cl]",
"[N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl][C][Cl]"
],
"smiles": [
"C=CC(=O)Cl",
"Nc1ccc(CO)cc1",
"C1CCOC1",
"CCN(C(C)C)C(C)C",
"CCOC(C)=O",
"ClCCl"
]
} | C=CC(=O)Nc1ccc(CO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "C=CC(=O)Nc1ccc(CO)cc1",
"role": "assistant"
}
] |
28 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][=C][Ring1][=C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)c1ccc(NC(=O)N(C)CCO)cc1",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | CN(CCO)C(=O)Nc1ccc(CO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CN(CCO)C(=O)Nc1ccc(CO)cc1",
"role": "assistant"
}
] |
29 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[N][C][=C][C][=C][C][=C][Ring1][=Branch1][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"Nc1ccccc1O",
"C1CCOC1"
]
} | CC(C)(C)OC(=O)Nc1ccccc1O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)Nc1ccccc1O",
"role": "assistant"
}
] |
30 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[N][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"NCCc1ccc(N)cc1",
"C1CCOC1"
]
} | CC(C)(C)OC(=O)NCCc1ccc(N)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NCCc1ccc(N)cc1",
"role": "assistant"
}
] |
31 | {
"selfies": [
"[O][=C][Branch1][C][O][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl][C][Cl]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[BH4-1]",
"[Na+1]",
"[Na+1]"
],
"smiles": [
"O=C(O)Cc1c([N+](=O)[O-])ccc(F)c1F",
"C1CCOC1",
"ClCCl",
"O",
"O=C([O-])O",
"[BH4-]",
"[Na+]",
"[Na+]"
]
} | O=[N+]([O-])c1ccc(F)c(F)c1CCO | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "O=[N+]([O-])c1ccc(F)c(F)c1CCO",
"role": "assistant"
}
] |
32 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[BH4-1]",
"[Li+1]"
],
"smiles": [
"CCOC(=O)Cc1cccc(CCN(CCOC)C(=O)OC(C)(C)C)c1",
"C1CCOC1",
"CCOC(C)=O",
"[BH4-]",
"[Li+]"
]
} | COCCN(CCc1cccc(CCO)c1)C(=O)OC(C)(C)C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "COCCN(CCc1cccc(CCO)c1)C(=O)OC(C)(C)C",
"role": "assistant"
}
] |
33 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][C][=C][Ring1][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccc(C(C)(C)OC)cc1",
"C1CCOC1",
"CO",
"O",
"O",
"[Li+]",
"[OH-]"
]
} | COC(C)(C)c1ccc(C(=O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "COC(C)(C)c1ccc(C(=O)O)cc1",
"role": "assistant"
}
] |
34 | {
"selfies": [
"[N][#C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"N#CCC(O)c1ccccc1",
"B",
"C1CCOC1"
]
} | NCCC(O)c1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "NCCC(O)c1ccccc1",
"role": "assistant"
}
] |
35 | {
"selfies": [
"[C][=C][Branch1][C][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"C=C(C)C(CC(=O)OC)c1ccccc1",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | C=C(C)C(CCO)c1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "C=C(C)C(CCO)c1ccccc1",
"role": "assistant"
}
] |
36 | {
"selfies": [
"[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Pd]"
],
"smiles": [
"Cc1cccc(C(=O)O)c1[N+](=O)[O-]",
"C1CCOC1",
"[Pd]"
]
} | Cc1cccc(C(=O)O)c1N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "Cc1cccc(C(=O)O)c1N",
"role": "assistant"
}
] |
37 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Mg]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"COc1ccc(Br)cc1",
"C1CCOC1",
"Cl",
"[Mg]"
]
} | COc1ccc(B(O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "COc1ccc(B(O)O)cc1",
"role": "assistant"
}
] |
38 | {
"selfies": [
"[C][O][C][C][O][C][Cl]",
"[C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"COCCOCCl",
"COc1cc(O)ccc1C=O",
"C1CCOC1",
"CN(C)C=O",
"O",
"[H-]",
"[Na+]"
]
} | COCCOCOc1ccc(C=O)c(OC)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "COCCOCOc1ccc(C=O)c(OC)c1",
"role": "assistant"
}
] |
39 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]"
],
"smiles": [
"O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]",
"B",
"C1CCOC1",
"Cl"
]
} | O=[N+]([O-])c1ccc(Cl)cc1CO | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "O=[N+]([O-])c1ccc(Cl)cc1CO",
"role": "assistant"
}
] |
40 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CC(O)c1cccc(N)c1",
"C1CCOC1",
"CCN(CC)CC"
]
} | CC(O)c1cccc(NC(=O)OC(C)(C)C)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CC(O)c1cccc(NC(=O)OC(C)(C)C)c1",
"role": "assistant"
}
] |
41 | {
"selfies": [
"[C][Si][Branch1][C][C][Branch1][C][C][C][#C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Br][=C][Ring1][O][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[O]",
"[F-1]"
],
"smiles": [
"C[Si](C)(C)C#Cc1cc(C(F)(F)F)cc(Br)c1N",
"C1CCOC1",
"CCCC[N+](CCCC)(CCCC)CCCC",
"O",
"[F-]"
]
} | C#Cc1cc(C(F)(F)F)cc(Br)c1N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "C#Cc1cc(C(F)(F)F)cc(Br)c1N",
"role": "assistant"
}
] |
42 | {
"selfies": [
"[C][O][C][Cl]",
"[O][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"COCCl",
"O=Cc1ccc(O)c(O)c1",
"C1CCOC1",
"CN(C)C=O",
"[H-]",
"[Na+]"
]
} | COCOc1ccc(C=O)cc1O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "COCOc1ccc(C=O)cc1O",
"role": "assistant"
}
] |
43 | {
"selfies": [
"[C][N]",
"[N][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CN",
"N#Cc1ccc(F)c([N+](=O)[O-])c1",
"C1CCOC1"
]
} | CNc1ccc(C#N)cc1[N+](=O)[O-] | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CNc1ccc(C#N)cc1[N+](=O)[O-]",
"role": "assistant"
}
] |
44 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][=Branch1][C][=O][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COc1ccc(F)c(F)c1CC(=O)O",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | COc1ccc(F)c(F)c1CCO | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc(F)c(F)c1CCO",
"role": "assistant"
}
] |
45 | {
"selfies": [
"[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CC(C(=O)O)c1ccc(F)cc1",
"C1CCOC1",
"CCOCC",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | CC(CO)c1ccc(F)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CC(CO)c1ccc(F)cc1",
"role": "assistant"
}
] |
46 | {
"selfies": [
"[Br][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][N][C][C][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]"
],
"smiles": [
"BrCCCc1ccccc1",
"CCOC(=O)NCCN",
"C1CCOC1",
"O=C([O-])[O-]",
"[K+]",
"[K+]"
]
} | CCOC(=O)NCCNCCCc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCOC(=O)NCCNCCCc1ccccc1",
"role": "assistant"
}
] |
47 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][#N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]",
"[Cl][C][Cl]",
"[O]",
"[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"CCOC(=O)CCNCCc1cc(OC)c(OC)cc1CC#N",
"C1CCOC1",
"CO",
"Cl",
"ClCCl",
"O",
"O=C(O)C(=O)O",
"[BH4-]",
"[Na+]"
]
} | COc1cc(CC#N)c(CCNCCCO)cc1OC | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "COc1cc(CC#N)c(CCNCCCO)cc1OC",
"role": "assistant"
}
] |
48 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"Cc1c(N)cccc1F",
"C1CCOC1"
]
} | Cc1c(F)cccc1NC(=O)OC(C)(C)C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "Cc1c(F)cccc1NC(=O)OC(C)(C)C",
"role": "assistant"
}
] |
49 | {
"selfies": [
"[C][O]",
"[N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][Si][Branch1][C][C][Branch1][C][C][C][=N+1][=N-1]"
],
"smiles": [
"CO",
"Nc1ccc(C(=O)O)c(C(F)(F)F)c1",
"C1CCOC1",
"C[Si](C)(C)C=[N+]=[N-]"
]
} | COC(=O)c1ccc(N)cc1C(F)(F)F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COC(=O)c1ccc(N)cc1C(F)(F)F",
"role": "assistant"
}
] |
50 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][C][N][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][P]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[Cl-1]",
"[F-1]",
"[NH4+1]"
],
"smiles": [
"COc1ccc(OC)c(NCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)c1",
"C1CCOC1",
"CCCC[N+](CCCC)(CCCC)CCCC",
"[Cl-]",
"[F-]",
"[NH4+]"
]
} | COc1ccc(OC)c(NCCCCCCCCCCCCCCCCO)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "COc1ccc(OC)c(NCCCCCCCCCCCCCCCCO)c1",
"role": "assistant"
}
] |
51 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][C][=C][Ring1][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[C][O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccc(C(C)(C)OC)cc1",
"C1CCOC1",
"CCOCC",
"CO",
"[Li+]",
"[OH-]"
]
} | COC(C)(C)c1ccc(C(=O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COC(C)(C)c1ccc(C(=O)O)cc1",
"role": "assistant"
}
] |
52 | {
"selfies": [
"[N][#C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"N#CCc1c(F)cccc1F",
"B",
"C1CCOC1"
]
} | NCCc1c(F)cccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "NCCc1c(F)cccc1F",
"role": "assistant"
}
] |
53 | {
"selfies": [
"[C][C][C][N]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"CCCN",
"O=[N+]([O-])c1ccccc1S(=O)(=O)Cl",
"C1CCOC1",
"CCN(CC)CC"
]
} | CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]",
"role": "assistant"
}
] |
54 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[O][C][C][C][O][C][Ring1][Branch1]",
"[Cl]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)Cl)cc1",
"OC1CCOC1",
"Cl"
]
} | Cc1ccc(S(=O)(=O)OC2CCOC2)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "Cc1ccc(S(=O)(=O)OC2CCOC2)cc1",
"role": "assistant"
}
] |
55 | {
"selfies": [
"[C][C][N]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][Branch1][C][F][=C][Ring1][O][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCN",
"O=C(O)c1cc(S(=O)(=O)Cl)cc(F)c1F",
"C1CCOC1",
"Cl",
"[Na+]",
"[OH-]"
]
} | CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1",
"role": "assistant"
}
] |
56 | {
"selfies": [
"[C][O]",
"[O][=C][Branch1][C][O][C][C][C][O][C][Ring1][Branch1]",
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]"
],
"smiles": [
"CO",
"O=C(O)C1CCOC1",
"Cc1ccc(S(=O)(=O)O)cc1"
]
} | COC(=O)C1CCOC1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "COC(=O)C1CCOC1",
"role": "assistant"
}
] |
57 | {
"selfies": [
"[C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]",
"[O]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"CCCC(O)c1ccc(C=O)cc1",
"C1CCOC1",
"CO",
"Cl",
"O",
"[BH4-]",
"[Na+]"
]
} | CCCC(O)c1ccc(CO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CCCC(O)c1ccc(CO)cc1",
"role": "assistant"
}
] |
58 | {
"selfies": [
"[C][C][Branch1][C][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(O)CCCc1ccccc1",
"CS(=O)(=O)Cl",
"C1CCOC1"
]
} | CC(CCCc1ccccc1)OS(C)(=O)=O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CC(CCCc1ccccc1)OS(C)(=O)=O",
"role": "assistant"
}
] |
59 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][I][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"O=C(O)c1ccc(Cl)c(I)c1",
"C1CCOC1",
"CO"
]
} | OCc1ccc(Cl)c(I)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "OCc1ccc(Cl)c(I)c1",
"role": "assistant"
}
] |
60 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][N]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[O]"
],
"smiles": [
"CC(C)(C)N",
"O=C(Cl)c1ccc(Br)cc1",
"C1CCOC1",
"CCN(CC)CC",
"O"
]
} | CC(C)(C)NC(=O)c1ccc(Br)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CC(C)(C)NC(=O)c1ccc(Br)cc1",
"role": "assistant"
}
] |
61 | {
"selfies": [
"[N][#C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[O][=S][Branch1][C][Cl][Cl]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"N#CCCC(C(=O)O)c1ccccc1C(F)(F)F",
"C1CCOC1",
"CCO",
"O=S(Cl)Cl",
"[BH4-]",
"[Na+]"
]
} | N#CCCC(CO)c1ccccc1C(F)(F)F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "N#CCCC(CO)c1ccccc1C(F)(F)F",
"role": "assistant"
}
] |
62 | {
"selfies": [
"[C][C][O]",
"[N][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[Cl][C][Branch1][C][Cl][Cl]",
"[O]",
"[Na+1]"
],
"smiles": [
"CCO",
"N#Cc1c(F)cccc1Cl",
"C1CCOC1",
"CC(C)(C)[O-]",
"ClC(Cl)Cl",
"O",
"[Na+]"
]
} | CCOc1cccc(Cl)c1C#N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCOc1cccc(Cl)c1C#N",
"role": "assistant"
}
] |
63 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]"
],
"smiles": [
"COc1ccc(CC(=O)O)cc1OC",
"C1CCOC1",
"O"
]
} | COc1ccc(CCO)cc1OC | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "COc1ccc(CCO)cc1OC",
"role": "assistant"
}
] |
64 | {
"selfies": [
"[C][C][N][Branch1][#Branch1][C][C][O][C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Li][C][C][C][C]"
],
"smiles": [
"CCN(CCOCOC)c1ccc(Br)cc1",
"CN(C)C=O",
"C1CCOC1",
"O",
"[Li]CCCC"
]
} | CCN(CCOCOC)c1ccc(C=O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CCN(CCOCOC)c1ccc(C=O)cc1",
"role": "assistant"
}
] |
65 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl-1]",
"[NH4+1]",
"[Zn]"
],
"smiles": [
"O=C(O)c1c(Cl)ccc([N+](=O)[O-])c1Cl",
"C1CCOC1",
"[Cl-]",
"[NH4+]",
"[Zn]"
]
} | Nc1ccc(Cl)c(C(=O)O)c1Cl | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "Nc1ccc(Cl)c(C(=O)O)c1Cl",
"role": "assistant"
}
] |
66 | {
"selfies": [
"[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][O][B][Branch1][Ring1][O][C][O][C]"
],
"smiles": [
"Nc1cc(C(F)(F)F)ccc1C(=O)O",
"C1CCOC1",
"CO",
"COB(OC)OC"
]
} | Nc1cc(C(F)(F)F)ccc1CO | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Nc1cc(C(F)(F)F)ccc1CO",
"role": "assistant"
}
] |
67 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][O][C][C][C][N][C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"COCCCNCCCc1ccc(Br)cc1",
"C1CCOC1",
"[Na+]",
"[OH-]"
]
} | COCCCN(CCCc1ccc(Br)cc1)C(=O)OC(C)(C)C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "COCCCN(CCCc1ccc(Br)cc1)C(=O)OC(C)(C)C",
"role": "assistant"
}
] |
68 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)NCCc1ccc(C(=O)O)cc1",
"C1CCOC1"
]
} | CC(C)(C)OC(=O)NCCc1ccc(CO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NCCc1ccc(CO)cc1",
"role": "assistant"
}
] |
69 | {
"selfies": [
"[N-1][=N+1][=N][C][C][Branch1][C][O][C][O][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"[N-]=[N+]=NCC(O)COCCCCCCCc1ccccc1",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | NCC(O)COCCCCCCCc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "NCC(O)COCCCCCCCc1ccccc1",
"role": "assistant"
}
] |
70 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][C][Al+1][C][C][Branch1][C][C][C]",
"[Cl]",
"[H-1]"
],
"smiles": [
"CCOC(=O)CCc1ccc(NC(=O)OC(C)(C)C)cc1",
"C1CCOC1",
"CC(C)C[Al+]CC(C)C",
"Cl",
"[H-]"
]
} | CC(C)(C)OC(=O)Nc1ccc(CCCO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)Nc1ccc(CCCO)cc1",
"role": "assistant"
}
] |
71 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C]",
"[I][I]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C]",
"[C][N][Branch1][C][C][C][C][N][Branch1][C][C][C]",
"[O][=S][=Branch1][C][=O][Branch1][C][O][O]",
"[Li][C][C][C][C]"
],
"smiles": [
"Cc1ccc(CO)cc1C",
"II",
"C1CCOC1",
"CCCCC",
"CN(C)CCN(C)C",
"O=S(=O)(O)O",
"[Li]CCCC"
]
} | Cc1cc(I)c(CO)cc1C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "Cc1cc(I)c(CO)cc1C",
"role": "assistant"
}
] |
72 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][Si][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"CC(C)[Si](Oc1ccc(Br)cc1)(C(C)C)C(C)C",
"C1CCOC1",
"[Li]CCCC"
]
} | CC(C)[Si](Oc1ccc(B(O)O)cc1)(C(C)C)C(C)C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)[Si](Oc1ccc(B(O)O)cc1)(C(C)C)C(C)C",
"role": "assistant"
}
] |
73 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]"
],
"smiles": [
"O=C(O)c1c(F)cc(F)cc1F",
"C1CCOC1",
"O"
]
} | OCc1c(F)cc(F)cc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "OCc1c(F)cc(F)cc1F",
"role": "assistant"
}
] |
74 | {
"selfies": [
"[C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCc1cc(C)ccc1C(=O)OC",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
} | CCc1cc(C)ccc1CO | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CCc1cc(C)ccc1CO",
"role": "assistant"
}
] |
75 | {
"selfies": [
"[C][C][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"CCCOc1cc(C(F)(F)F)ccc1C=CC(=O)OC",
"C1CCOC1",
"CO",
"[Li+]",
"[OH-]"
]
} | CCCOc1cc(C(F)(F)F)ccc1C=CC(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CCCOc1cc(C(F)(F)F)ccc1C=CC(=O)O",
"role": "assistant"
}
] |
76 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)C(F)(F)c1ccccc1",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | OCC(F)(F)c1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "OCC(F)(F)c1ccccc1",
"role": "assistant"
}
] |
77 | {
"selfies": [
"[C][C][I]",
"[O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"CCI",
"Oc1ccc(Br)c(Cl)c1",
"C1CCOC1",
"CN(C)C=O",
"[H-]",
"[Na+]"
]
} | CCOc1ccc(Br)c(Cl)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CCOc1ccc(Br)c(Cl)c1",
"role": "assistant"
}
] |
78 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][N]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)N",
"O=S(=O)(Cl)c1cc(Cl)ccc1F",
"C1CCOC1"
]
} | CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1F",
"role": "assistant"
}
] |
79 | {
"selfies": [
"[C][N][C][Branch1][C][C][C]",
"[N][#C][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[O]"
],
"smiles": [
"CNC(C)C",
"N#Cc1ccc(CBr)cc1",
"C1CCOC1",
"CCN(CC)CC",
"CCOC(C)=O",
"O"
]
} | CC(C)N(C)Cc1ccc(C#N)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)N(C)Cc1ccc(C#N)cc1",
"role": "assistant"
}
] |
80 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][F]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][N][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][N-1][C][Branch1][C][C][C]",
"[Li+1]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)(C)C(=O)Oc1c(F)cc(Br)cc1F",
"CN(C)C=O",
"C1CCOC1",
"CC(C)NC(C)C",
"CC(C)[N-]C(C)C",
"[Li+]",
"[Li]CCCC"
]
} | CC(C)(C)C(=O)Oc1c(F)cc(Br)c(C=O)c1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)C(=O)Oc1c(F)cc(Br)c(C=O)c1F",
"role": "assistant"
}
] |
81 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CCOC(=O)C(C)Cc1cccc(C)c1",
"C1CCOC1",
"Cl",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | Cc1cccc(CC(C)CO)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Cc1cccc(CC(C)CO)c1",
"role": "assistant"
}
] |
82 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][P]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]"
],
"smiles": [
"CC(C)(C)OC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(=O)O)c1",
"C1CCOC1",
"O"
]
} | CC(C)(C)OC(=O)Nc1cc(CO)cc(NC(=O)OC(C)(C)C)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)Nc1cc(CO)cc(NC(=O)OC(C)(C)C)c1",
"role": "assistant"
}
] |
83 | {
"selfies": [
"[C][N]",
"[O][=C][Branch1][C][Cl][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]"
],
"smiles": [
"CN",
"O=C(Cl)Cc1ccc(F)cc1",
"C1CCOC1",
"O"
]
} | CNC(=O)Cc1ccc(F)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CNC(=O)Cc1ccc(F)cc1",
"role": "assistant"
}
] |
84 | {
"selfies": [
"[C][C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=Mn][=O]"
],
"smiles": [
"CCOc1cc(CO)cc(OCC)c1OC",
"C1CCOC1",
"O=[Mn]=O"
]
} | CCOc1cc(C=O)cc(OCC)c1OC | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CCOc1cc(C=O)cc(OCC)c1OC",
"role": "assistant"
}
] |
85 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][=C][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][O][C][Branch1][C][C][C]",
"[C][C][O]",
"[Pd]"
],
"smiles": [
"CS(=O)(=NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1",
"C1CCOC1",
"CC(C)OC(C)C",
"CCO",
"[Pd]"
]
} | CS(=O)(=NC(=O)C(F)(F)F)c1ccc(N)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CS(=O)(=NC(=O)C(F)(F)F)c1ccc(N)cc1",
"role": "assistant"
}
] |
86 | {
"selfies": [
"[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]"
],
"smiles": [
"CC(C)Oc1ccc(C(=O)O)cc1C(F)(F)F",
"C1CCOC1",
"CO",
"Cl"
]
} | CC(C)Oc1ccc(CO)cc1C(F)(F)F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CC(C)Oc1ccc(CO)cc1C(F)(F)F",
"role": "assistant"
}
] |
87 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl-1]",
"[Li][C][C][C][C]",
"[NH4+1]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"COc1ccc(Br)c(NC(=O)C(C)(C)C)c1",
"C1CCOC1",
"[Cl-]",
"[Li]CCCC",
"[NH4+]"
]
} | COc1ccc(B(O)O)c(NC(=O)C(C)(C)C)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "COc1ccc(B(O)O)c(NC(=O)C(C)(C)C)c1",
"role": "assistant"
}
] |
88 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[BH4-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(CC(F)(F)F)CC(F)(F)F",
"C1CCOC1",
"[BH4-]",
"[Li+]"
]
} | O=S(=O)(NC(CO)C(CC(F)(F)F)CC(F)(F)F)c1ccc(Cl)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "O=S(=O)(NC(CO)C(CC(F)(F)F)CC(F)(F)F)c1ccc(Cl)cc1",
"role": "assistant"
}
] |
89 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl-1]",
"[Li][C][C][C][C]",
"[NH4+1]"
],
"smiles": [
"CN(C)C=O",
"COc1ccc(Br)c(F)c1",
"C1CCOC1",
"[Cl-]",
"[Li]CCCC",
"[NH4+]"
]
} | COc1ccc(C=O)c(F)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COc1ccc(C=O)c(F)c1",
"role": "assistant"
}
] |
90 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C][C]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"CCC(O)(CC)c1ccc(Br)c(C)c1",
"C1CCOC1",
"CCCCCC",
"[Li]CCCC"
]
} | CCC(O)(CC)c1ccc(B(O)O)c(C)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCC(O)(CC)c1ccc(B(O)O)c(C)c1",
"role": "assistant"
}
] |
91 | {
"selfies": [
"[C][N][C]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]"
],
"smiles": [
"CNC",
"O=S(=O)(Cl)c1cccc(Br)c1",
"C1CCOC1",
"CCN(CC)CC",
"Cl",
"O=C([O-])O",
"[Na+]"
]
} | CN(C)S(=O)(=O)c1cccc(Br)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CN(C)S(=O)(=O)c1cccc(Br)c1",
"role": "assistant"
}
] |
92 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][Ring1][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc(F)cc(CN(C)C)c1",
"C1CCOC1",
"O",
"O",
"[Li+]",
"[OH-]"
]
} | CN(C)Cc1cc(F)cc(C(=O)O)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CN(C)Cc1cc(F)cc(C(=O)O)c1",
"role": "assistant"
}
] |
93 | {
"selfies": [
"[N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[H][H]",
"[Pd]"
],
"smiles": [
"Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O",
"C1CCOC1",
"CO",
"[H][H]",
"[Pd]"
]
} | Nc1ccc(N)c(S(N)(=O)=O)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "Nc1ccc(N)c(S(N)(=O)=O)c1",
"role": "assistant"
}
] |
94 | {
"selfies": [
"[F][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2][F]",
"[O][C][C][C][C][C][C][C][C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][N][Branch1][C][C][C][=O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"Fc1ccc(CBr)cc1F",
"OCCCCCCCCO",
"C1CCOC1",
"CN(C)C=O",
"CN(C)C=O",
"[H-]",
"[Na+]"
]
} | OCCCCCCCCOCc1ccc(F)c(F)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "OCCCCCCCCOCc1ccc(F)c(F)c1",
"role": "assistant"
}
] |
95 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][C][N]",
"[O][=C][Branch1][C][Cl][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][=Branch1][C][=O][N][Branch1][C][C][C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]"
],
"smiles": [
"CC(=O)CCN",
"O=C(Cl)Cc1ccc(F)cc1",
"C1CCOC1",
"CC(=O)N(C)C",
"CCN(CC)CC",
"CCOC(C)=O",
"Cl",
"O=C([O-])O",
"[Na+]"
]
} | CC(=O)CCNC(=O)Cc1ccc(F)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CC(=O)CCNC(=O)Cc1ccc(F)cc1",
"role": "assistant"
}
] |
96 | {
"selfies": [
"[C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"C=Cc1ccc(C(=O)OC)cc1",
"C1CCOC1",
"CCOCC",
"O",
"[Na+]",
"[OH-]"
]
} | C=Cc1ccc(C(=O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "C=Cc1ccc(C(=O)O)cc1",
"role": "assistant"
}
] |
97 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O]",
"[Li][O]"
],
"smiles": [
"COC(=O)C(CNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1",
"C1CCOC1",
"O",
"O",
"[Li]O"
]
} | CC(C)(C)OC(=O)NCC(Cc1ccc(Cl)cc1)C(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NCC(Cc1ccc(Cl)cc1)C(=O)O",
"role": "assistant"
}
] |
98 | {
"selfies": [
"[C][C][C][=Branch1][C][=O][N][=S][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl][C][Cl]",
"[O]"
],
"smiles": [
"CCC(=O)N=S(C)(=O)c1ccc([N+](=O)[O-])cc1",
"B",
"C1CCOC1",
"CO",
"ClCCl",
"O"
]
} | CCCN=S(C)(=O)c1ccc([N+](=O)[O-])cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CCCN=S(C)(=O)c1ccc([N+](=O)[O-])cc1",
"role": "assistant"
}
] |
99 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[C][O]",
"[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"CC(=O)Oc1cc(I)ccc1OC(C)C",
"C1CCOC1",
"CCOCC",
"CO",
"O=C(O)CC(O)(CC(=O)O)C(=O)O",
"[Li+]",
"[OH-]"
]
} | CC(C)Oc1ccc(I)cc1O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(C)Oc1ccc(I)cc1O",
"role": "assistant"
}
] |
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