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RCR_SP_70K_SMILES-MMChat

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OpenMol 3

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][N][C][C][=Branch1][C][=O][O]", "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]", "[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]" ], "smiles": [ "CC(C)(N)CC(=O)O", "O=[N+]([O-])c1ccccc1F", "CC(C)(CC(=O)O)Nc1ccccc1[N+](=O)[O-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][Branch1][C][C][C][O][C][=C][Ring1][#Branch2]", "[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]", "[C][O][C][=C][C][=C][Branch1][Branch1][C][C][C][Br][C][=C][Ring1][#Branch2]" ], "smiles": [ "COc1ccc(CCCO)cc1", "O=C1CCC(=O)N1Br", "COc1ccc(CCCBr)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[O][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][N][Ring1][=Branch2][C][C][C][C][O][C][C][C][C][C][O][Ring1][=Branch1]", "[O][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][N][Ring1][=Branch2][C][C][C][C][O]" ], "smiles": [ "O=c1c2ccncc2sn1CCCCOC1CCCCO1", "O=c1c2ccncc2sn1CCCCO" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CO .", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][C][C][C][Ring1][Branch1][C][=C][N][=C][C][Branch1][Branch1][C][C][C][#N][=C][Ring1][#Branch2]", "[C][N][C][C][C][C][Ring1][Branch1][C][=C][N][=C][C][Branch1][Branch1][C][C][C][N][=C][Ring1][#Branch2]" ], "smiles": [ "CN1CCCC1c1cncc(CCC#N)c1", "CN1CCCC1c1cncc(CCCN)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be CO.N .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][Branch1][C][Cl][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][P][C][Ring2][Ring1][Branch1]", "[N][#C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][N][Branch1][Branch1][C][=Ring1][Branch2][Cl][C][C][N][C][Ring1][Branch2][=C][Ring2][Ring1][Ring1]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCn2c(Cl)c(-c3cccc(C#N)c3)c(C(N)=O)c2C1", "N#Cc1cccc(-c2c(C(N)=O)c3n(c2Cl)CCNC3)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][Branch2][=Branch1][Ring1][C][=C][C][=C][Branch2][Branch1][=Branch1][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][P][C][N][=C][Ring2][Ring2][Branch2]", "[C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2][C][N][=C][Ring2][Ring1][P]" ], "smiles": [ "CCOC(=O)Cc1cnc(-c2ccc(C(CC)(CC)c3ccc(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c3)cc2C)nc1", "CCOC(=O)Cc1cnc(-c2ccc(C(CC)(CC)c3ccc(CCC(O)C(C)(C)C)c(C)c3)cc2C)nc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[O][=N+1][Branch1][C][O-1][O]", "[O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]", "[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O]" ], "smiles": [ "O=[N+]([O-])O", "Oc1ccc(OCc2ccccc2)cc1", "O=[N+]([O-])c1cc(OCc2ccccc2)ccc1O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "CC(=O)O .", "role": "assistant" } ]

{ "selfies": [ "[C][N][Branch1][C][C][C][C][Cl]", "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]", "[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]" ], "smiles": [ "CN(C)CCCl", "O=[N+]([O-])c1cccc(O)c1", "CN(C)CCOc1cccc([N+](=O)[O-])c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be CS(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][=C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][=N]", "[O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]", "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][#Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)N1CC(Oc2cc(Cl)ccc2O)C1", "OC1CC(c2ccccc2)C1", "CC(C)(C)OC(=O)N1CC(Oc2cc(Cl)ccc2OC2CC(c3ccccc3)C2)C1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be Cc1ccccc1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1][=C][Ring1][=N][F]", "[C][C][Branch1][C][C][O][C][C][Branch1][P][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][F][O][Ring1][S]" ], "smiles": [ "CCOC(=O)c1cccc(C2COC(C)(C)O2)c1F", "CC1(C)OCC(c2cccc(C(=O)O)c2F)O1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[N][#C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]", "[N][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]" ], "smiles": [ "N#CCc1c(F)cccc1F", "NCCc1c(F)cccc1F" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[Br][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]", "[O][=C][Branch1][Ring1][O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]", "[O-1][N+1][=C][C][=C][C][Branch1][C][Br][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O]" ], "smiles": [ "Brc1cccc2cnccc12", "O=C(OO)c1cccc(Cl)c1", "[O-][n+]1ccc2c(Br)cccc2c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][C][C][C][C][Br]", "[C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]", "[C][C][C][C][C][C][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]" ], "smiles": [ "CCCCCCCCBr", "c1ccc2[nH]ccc2c1", "CCCCCCCCn1ccc2ccccc21" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "c1ccccc1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=C][C][=N][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][=C][Ring1][O][C]", "[C][C][O][C][=C][C][=N][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C]" ], "smiles": [ "CCOc1ccnc(COC(C)=O)c1C", "CCOc1ccnc(CO)c1C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "Cc1ccccc1 .", "role": "assistant" } ]

{ "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][C][Branch1][C][N][C][O]", "[C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "CC(C)(N)CO", "CC(C)(CO)NC(=O)OC(C)(C)C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be C1CCOC1.O .", "role": "assistant" } ]

{ "selfies": [ "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P]", "[N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P]" ], "smiles": [ "O=[N+]([O-])c1ccc(Oc2ccnc3ccsc23)c(F)c1", "Nc1ccc(Oc2ccnc3ccsc23)c(F)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][I]", "[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1]", "[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C]" ], "smiles": [ "CI", "Cc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-]", "COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "CN(C)C=O.O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][O][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][=C][C][=C][Ring2][Ring1][N][Ring1][=Branch1]", "[O][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][=C][C][=C][Ring2][Ring1][N][Ring1][=Branch1]" ], "smiles": [ "COCOc1c(-c2ccc(OCc3ccccc3)cc2)c(C(F)(F)F)cc2ccccc12", "Oc1c(-c2ccc(OCc3ccccc3)cc2)c(C(F)(F)F)cc2ccccc12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "C1COCCO1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N]", "[C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N]" ], "smiles": [ "Cc1cc([N+](=O)[O-])ccc1OC1CCN(C(=O)OC(C)(C)C)CC1", "Cc1cc(N)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1]", "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1]" ], "smiles": [ "O=[N+]([O-])c1ccccc1NC1CCCCC1", "Nc1ccccc1NC1CCCCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[O][=N+1][Branch1][C][O-1][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=N][NH1][C][=C][Ring1][Branch1][Cl]", "[N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=N][NH1][C][=C][Ring1][Branch1][Cl]" ], "smiles": [ "O=[N+]([O-])c1c(Cl)cc(Cl)cc1-c1n[nH]cc1Cl", "Nc1c(Cl)cc(Cl)cc1-c1n[nH]cc1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CC(=O)O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][C][Branch1][C][C][C]", "[C][C][Branch1][C][C][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][C][=Branch1][C][=O][O]" ], "smiles": [ "CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1CC(C)C", "CC(C)Cc1oc(-c2ccc(F)cc2)nc1CC(=O)O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "O .", "role": "assistant" } ]

{ "selfies": [ "[C][N][C]", "[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][I][=C][Ring1][Branch2]", "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][I][=C][Ring1][Branch2]" ], "smiles": [ "CNC", "O=C(O)c1cc(Br)cc(I)c1", "CN(C)C(=O)c1cc(Br)cc(I)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "O=S(Cl)Cl .", "role": "assistant" } ]

{ "selfies": [ "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][#C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]", "[N][C][C][C][Ring1][Ring1]", "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][#C][C][=C][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][N]" ], "smiles": [ "CN(C)C(=O)CCCC#Cc1cccc(C(=O)O)c1", "NC1CC1", "CN(C)C(=O)CCCC#Cc1cccc(C(=O)NC2CC2)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][O]", "[C][C][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O]", "[C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O]" ], "smiles": [ "CC(=O)O", "CC(N)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "CC(=O)NC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]", "[Cl][C][=N][C][Branch1][C][Cl][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][#Branch2]", "[C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][Ring1][O][C][=C][Ring2][Ring1][Ring2]" ], "smiles": [ "Cc1ccc(S(=O)(=O)Cl)cc1", "Clc1nc(Cl)c2cc[nH]c2n1", "Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][#C]", "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]" ], "smiles": [ "COc1ccc(C(=O)c2ccccc2C)cc1", "Cc1ccccc1C(=O)c1ccc(O)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "ClC(Cl)Cl.ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C]", "[O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C]" ], "smiles": [ "CCOC(=O)C1Cc2ccccc2C(c2ccc(Cl)c(Cl)c2)C1", "OCC1Cc2ccccc2C(c2ccc(Cl)c(Cl)c2)C1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][O]", "[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]", "[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2][Cl]" ], "smiles": [ "Cc1ccc(C(F)(F)F)c(Cl)c1", "O=C1CCC(=O)N1Br", "FC(F)(F)c1ccc(CBr)cc1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be ClC(Cl)(Cl)Cl .", "role": "assistant" } ]

{ "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][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "NCC(C(=O)O)c1ccccc1", "CC(C)(C)OC(=O)NCC(C(=O)O)c1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "C1COCCO1.O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=C][C][Branch1][C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][=Branch2]", "[C][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][F]", "[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][C][C][C][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][N][C][=C][C][Branch1][C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][=Branch2]" ], "smiles": [ "COC(=O)C(CCCCN)Nc1cc(C)c(F)c(C)c1", "Cc1cc(C=O)ccc1F", "COC(=O)C(CCCCNCc1ccc(F)c(C)c1)Nc1cc(C)c(F)c(C)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be CC(Cl)Cl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][Branch1][P][N][C][C][N][Branch1][#Branch1][C][C][O][C][C][O][C][C][Ring1][N][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][#Branch1][C][C][C][Ring1][Ring1][F][C][Ring2][Ring1][#C][=Ring1][=C]", "[N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]", "[C][O][C][=C][Branch1][P][N][C][C][N][Branch1][#Branch1][C][C][O][C][C][O][C][C][Ring1][N][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][N][Branch1][#Branch1][C][C][C][Ring1][Ring1][F][C][Ring2][Ring2][Branch2][=Ring2][Ring1][#Branch1]" ], "smiles": [ "COc1c(N2CCN(CCOCCO)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3F)c12", "NCc1ccc(Cl)cc1Cl", "COc1c(N2CCN(CCOCCO)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(C3CC3F)c12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "CN(C)C=O.O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][#C][=C][Ring2][Ring1][O]", "[C][C][C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][#C][=C][Ring2][Ring1][O]" ], "smiles": [ "CCCOc1cccc(-c2cc(=O)n(C)c3ccc(C(=O)c4ccc(Cl)cc4)cc23)c1", "CCCOc1cccc(-c2cc(=O)n(C)c3ccc(C(O)c4ccc(Cl)cc4)cc23)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "C1CCOC1.CO .", "role": "assistant" } ]

{ "selfies": [ "[Br][Br]", "[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O]", "[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][O]" ], "smiles": [ "BrBr", "O=C(O)c1ccc2ccccc2c1O", "O=C(O)c1cc(Br)c2ccccc2c1O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CC(=O)O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C]", "[C][O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][N][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]" ], "smiles": [ "COc1ccc2c(=O)n(CCNC(=O)OC(C)(C)C)c(CN(C)C)c(-c3ccccc3)c2c1", "COc1ccc2c(=O)n(CCN)c(CN(C)C)c(-c3ccccc3)c2c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[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][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][#N]" ], "smiles": [ "CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N", "CCS(=O)(=O)c1ccc(N)cc1C#N" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be CC(=O)O .", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][=C][Ring1][=N][Cl]", "[O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][=C][Ring1][=N][Cl]" ], "smiles": [ "O=C(O)c1c(-c2ccc(Cl)cc2)ccnc1Cl", "OCc1c(-c2ccc(Cl)cc2)ccnc1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][Br][C][=C][N][Ring1][#Branch2][Ring1][#Branch1]", "[O][=C][Branch1][C][O][C][=C][N][=C][C][=C][Branch1][C][Br][C][=C][N][Ring1][#Branch2][Ring1][#Branch1]" ], "smiles": [ "CCOC(=O)c1cnc2cc(Br)ccn12", "O=C(O)c1cnc2cc(Br)ccn12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CO .", "role": "assistant" } ]

{ "selfies": [ "[N][#C][C][=C][C][=C][O][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=N][=C][Ring1][P]", "[N][C][C][=C][C][=C][O][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=N][=C][Ring1][P]" ], "smiles": [ "N#Cc1ccc2oc(COc3ccccc3)cc2c1", "NCc1ccc2oc(COc3ccccc3)cc2c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Branch1][N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Ring1][=N][=C][Ring2][Ring1][C][N][Ring2][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][O]", "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][C][N][=C][Branch1][Ring1][C][O][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][=Ring1][N][Ring2][Ring1][C]" ], "smiles": [ "COCc1nc2c(N)nc3cc(CCC(=O)N(C)C)ccc3c2n1CC(C)(C)O", "CN(C)C(=O)CCc1ccc2c(c1)nc(N)c1nc(CO)n(CC(C)(C)O)c12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]", "[O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]", "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]" ], "smiles": [ "CC(C)(C)[Si](C)(C)Cl", "OCc1cccnc1Cl", "CC(C)(C)[Si](C)(C)OCc1cccnc1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CCOCC.CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "O=[N+]([O-])c1cc(Br)ccc1Oc1ccccc1", "Nc1cc(Br)ccc1Oc1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][C][C][C][C][=C][C][Branch1][C][Br][=C][C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][#C][C][Ring1][=N][=Ring1][Branch2]", "[O][=C][Branch1][C][O][C][C][C][C][C][=C][C][Branch1][C][Br][=C][C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][#C][C][Ring1][=N][=Ring1][Branch2]" ], "smiles": [ "COC(=O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23", "O=C(O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: C1CCOC1.CO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Ring1][O]", "[C][C][C][C][C][N][Ring1][Branch1][C][C][C][O][C][=C][C][=C][Branch1][=N][N][C][C][Branch1][Ring1][C][Cl][C][C][Ring1][#Branch1][=O][C][=C][Ring1][=C]", "[C][C][C][C][C][N][Ring1][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][Branch2][Ring1][Ring1][C][N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][C][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2]" ], "smiles": [ "C1CCC(N2CCNCC2)C1", "CC1CCCN1CCCOc1ccc(N2CC(CCl)CC2=O)cc1", "CC1CCCN1CCCOc1ccc(N2CC(CN3CCN(C4CCCC4)CC3)CC2=O)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be CC#N .", "role": "assistant" } ]

{ "selfies": [ "[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][S][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][O][C][=C][Ring1][=Branch2][Cl]", "[C][S][C][=N][C][=C][Branch1][#C][C][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][Cl]" ], "smiles": [ "BrCc1ccccc1", "CSc1ncc(C(C)O)cc1Cl", "CSc1ncc(C(C)OCc2ccccc2)cc1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be CN(C)C=O.O .", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][C][=C][Ring1][S][Cl]", "[O][=C][Branch1][C][Cl][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]", "[O][=C][Branch2][Ring1][=N][N][C][=C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][C][=C][Ring1][S][Cl][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]" ], "smiles": [ "Nc1cc(-c2nc(-c3ccco3)no2)ccc1Cl", "O=C(Cl)OCC(Cl)(Cl)Cl", "O=C(Nc1cc(-c2nc(-c3ccco3)no2)ccc1Cl)OCC(Cl)(Cl)Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be C1COCCO1 .", "role": "assistant" } ]

{ "selfies": [ "[N][O]", "[O][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]", "[O][N][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]" ], "smiles": [ "NO", "O=Cc1ccc(F)cc1", "ON=Cc1ccc(F)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]", "[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]", "[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]" ], "smiles": [ "N#Cc1ccccc1O", "O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F", "N#Cc1ccccc1OS(=O)(=O)C(F)(F)F" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[O][C][C][=C][C][=C][C][=C][Branch1][#C][O][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1]", "[O][=C][C][=C][C][=C][C][=C][Branch1][#C][O][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1]" ], "smiles": [ "OCc1cc2ccc(Oc3nc4ncccc4s3)cc2[nH]1", "O=Cc1cc2ccc(Oc3nc4ncccc4s3)cc2[nH]1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "ClC(Cl)Cl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][C][O][N][=C][Ring1][Branch2][N][Ring2][Ring1][=Branch1][Ring1][O]", "[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]", "[C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][Ring1][C][O][N][=C][Ring1][=Branch2][N][Ring2][Ring1][#Branch1][Ring1][N]" ], "smiles": [ "CC1CN(C(=O)OC(C)(C)C)CC2Cc3ccc(CO)nc3N12", "O=C1CCC(=O)N1Br", "CC1CN(C(=O)OC(C)(C)C)CC2Cc3cc(Br)c(CO)nc3N12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][N][C][C][N][C][C][Ring1][=Branch1]", "[N][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]", "[C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][=C]" ], "smiles": [ "Cc1nc(N)nc(N)c1N1CCNCC1", "N#Cc1ccc(F)cc1", "Cc1nc(N)nc(N)c1N1CCN(c2ccc(C#N)cc2)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CS(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][=C][Branch1][C][O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "COC(=O)C1CCCCN1C(=O)OCc1ccccc1", "O=C(O)C1CCCCN1C(=O)OCc1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][F]", "[N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][I][=C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][I][=C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N][F]" ], "smiles": [ "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F", "Nc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1", "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)c1F" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]", "[C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]" ], "smiles": [ "CC(C)(Oc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1", "CC(C)(Oc1ccc(N)cc1)c1nc2ccccc2s1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][Branch1][C][F][C][C][C][C][Ring1][=Branch1][O]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "[C][O][C][=Branch1][C][=O][C][Branch1][C][F][C][C][C][C][Ring1][=Branch1][O][S][Branch1][C][C][=Branch1][C][=O][=O]" ], "smiles": [ "COC(=O)C1(F)CCCC1O", "CS(=O)(=O)Cl", "COC(=O)C1(F)CCCC1OS(C)(=O)=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be c1ccncc1 .", "role": "assistant" } ]

{ "selfies": [ "[O][=N+1][Branch1][C][O-1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]", "[N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]" ], "smiles": [ "O=[N+]([O-])C1CCCCC1NC1CCN(Cc2ccccc2)CC1", "NC1CCCCC1NC1CCN(Cc2ccccc2)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][=Branch1][P][=N][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]", "[N][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][P][=N][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O][=C][S][Ring2][Ring1][Branch1]" ], "smiles": [ "CCOC(=O)C(=NOCC(=O)N1CCCCCC1)c1csc(N)n1", "Nc1nc(C(=NOCC(=O)N2CCCCCC2)C(=O)O)cs1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][Br]", "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][Branch1][C][F][F]", "[C][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][C][F][Branch1][C][F][F]" ], "smiles": [ "C=CCBr", "CCOC(=O)C(O)(CC(C)(C)c1cc(F)ccc1O)C(F)(F)F", "C=CCOc1ccc(F)cc1C(C)(C)CC(O)(C(=O)OCC)C(F)(F)F" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]", "[O][=S][=Branch1][C][=O][Branch1][C][O][Cl]", "[C][C][C][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]" ], "smiles": [ "CCCOc1ccccc1C(=O)O", "O=S(=O)(O)Cl", "CCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[Br][Br]", "[C][C][C][C][C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]", "[C][C][C][C][C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][C][Ring1][Branch2][=C][Ring1][N][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1]" ], "smiles": [ "BrBr", "CCCCCc1c(-c2ccc3cc(O)ccc3c2)oc2ccccc12", "CCCCCc1c(-c2ccc3c(Br)c(O)ccc3c2)oc2ccccc12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CC(=O)O .", "role": "assistant" } ]

{ "selfies": [ "[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][O]", "[C][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "BrCc1ccccc1", "Cc1cc(I)ccc1O", "Cc1cc(I)ccc1OCc1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][C][Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][Ring2][Ring1][=Branch1][=Ring1][S]", "[C][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][C][Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][Ring2][Ring1][=Branch1][=Ring1][S]" ], "smiles": [ "C=CCc1cc(Cl)c(O)c2c(C)c(C(=O)c3ccc(OC)cc3)oc12", "CCCc1cc(Cl)c(O)c2c(C)c(C(=O)c3ccc(OC)cc3)oc12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][N][C][C][Ring1][#Branch1]", "[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]", "[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1]" ], "smiles": [ "C1CCCNCC1", "CCCCCCCCCCCC(=O)O", "CCCCCCCCCCCC(=O)N1CCCCCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CC(=O)O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][F][Branch2][Ring2][=Branch1][C][N][C][=N][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][=C][C][=N][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][Ring2][Ring1][N]", "[C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#C][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][C][C][Branch1][C][F][C][C][C][N][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][Branch2]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCCC(F)(CNc2nc(-c3cnn(C(C)(C)C)c3)cc3ncccc23)C1", "CC(C)(C)n1cc(-c2cc3ncccc3c(NCC3(F)CCCNC3)n2)cn1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[O][=C][C][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][Cl]", "[O][C][C][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][Cl]" ], "smiles": [ "O=CCc1c(Cl)ncnc1Cl", "OCCc1c(Cl)ncnc1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CO .", "role": "assistant" } ]

{ "selfies": [ "[N][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]", "[O][=C][Branch1][C][Cl][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]", "[O][=C][Branch2][Ring2][Branch2][N][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]" ], "smiles": [ "NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1", "O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CCOC(C)=O.O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][Ring1][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][N][=C][S][C][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][C][O]", "[C][O][C][=C][C][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring2][Ring1][N][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][C][Ring2][Ring1][C][=N][C][S][C][=N][C][Ring2][Ring1][O][=Ring1][Branch1][C][=C][Ring2][Ring2][C][O][C]" ], "smiles": [ "COC(=O)c1ccc(C(=O)NC2CCN(c3nc(Nc4ccc(OC)c(OC)c4)c4ncsc4n3)C2)cc1O", "COc1ccc(Nc2nc(N3CCC(NC(=O)c4ccc(C(=O)O)c(O)c4)C3)nc3scnc23)cc1OC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be C1CCOC1.CO .", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][N][C][=N][C][Branch1][C][Cl][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=C][Ring1][=Branch2]", "[N][C][C][N]", "[C][=C][C][N][C][=N][C][Branch1][Branch1][N][C][C][N][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][P][Ring1][=Branch2]" ], "smiles": [ "C=CCNc1nc(Cl)nc2ccc([N+](=O)[O-])cc12", "NCCN", "C=CCNc1nc(NCCN)nc2ccc([N+](=O)[O-])cc12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]", "[C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]" ], "smiles": [ "CCOC(=O)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1", "CCOC(=O)C(CC1CCCC1)c1ccc(N)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[Br][C][C][C][C][C][Ring1][Ring2]", "[O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "[Br][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Ring2][C][=C][Ring1][N]" ], "smiles": [ "BrCC1CCC1", "Oc1ccc(Br)cc1", "Brc1ccc(OCC2CCC2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[N][C][=N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring1][N][=N][Ring2][Ring1][=Branch1]", "[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[N][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring1][N][=N][Ring2][Ring1][#C]" ], "smiles": [ "Nc1nc(N2CCNCC2)c2nc(-c3ccc(F)cc3)sc2n1", "O=S(=O)(Cl)c1ccccc1", "Nc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][Branch1][Ring1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][C][C][Branch1][Ring1][O][C][C][Ring1][P][N][C][C][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]", "[C][C][C][Branch1][Ring1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][C][C][Branch1][Ring1][O][C][C][Ring1][P][N][C][C][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O]" ], "smiles": [ "CCC1(CC)c2cc(C(N)=O)ccc2CC(OC)C1NCCC(CC1CCCCC1)C(=O)OC", "CCC1(CC)c2cc(C(N)=O)ccc2CC(OC)C1NCCC(CC1CCCCC1)C(=O)O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][C][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2]", "[C][C][Branch1][C][C][N][Branch1][C][C][C][=N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][N][=C][Ring1][=N][C][C][=N][NH1][C][=Ring1][Branch1]" ], "smiles": [ "COC(=O)c1ccc2nc(-c3cn[nH]c3)c(N(C)C(C)C)nc2c1", "CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cn[nH]c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CO.O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][Br][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Ring1][N][Ring1][Branch2][=C][Ring2][Ring1][C]", "[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]", "[C][C][=C][C][=C][C][Branch2][Ring2][N][C][=C][Branch1][C][Br][S][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][N]" ], "smiles": [ "Cc1cccc(-c2c(Br)sc3nc(C)cc(N)c23)c1", "O=S(=O)(Cl)c1cccc(Cl)c1", "Cc1cccc(-c2c(Br)sc3nc(C)cc(NS(=O)(=O)c4cccc(Cl)c4)c23)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][S][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]", "[C][C][Branch1][C][C][Branch2][Ring1][=Branch1][S][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O]" ], "smiles": [ "CCOC(=O)C(C)(C)Sc1cccnc1-c1ccc(C#N)cc1", "CC(C)(Sc1cccnc1-c1ccc(C#N)cc1)C(=O)O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be CO .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C][=C][Ring1][=C]", "[N][C][C][C][N][C][=N][S][C][=N][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1]", "[C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][N][C][=N][S][C][=N][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]" ], "smiles": [ "COc1ccc(-c2ccc(C=O)cc2)cc1", "NCCCNc1nsc2nccnc12", "COc1ccc(-c2ccc(CNCCCNc3nsc4nccnc34)cc2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: ClCCCl.ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][C][C][C][C][C][C][C][C][C][NH1][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][Ring1][O][C][=Ring1][=C][Ring2][Ring1][C]", "[C][C][C][C][C][C][C][C][C][C][C][C][C][NH1][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][C][=Ring1][O][Ring1][#C]" ], "smiles": [ "CCCCCCCCC1CCCc2[nH]c3cc(C(=O)OCC)ccc3c21", "CCCCCCCCC1CCCc2[nH]c3cc(CO)ccc3c21" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: Cc1ccccc1.ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][S][C][=Branch1][C][=O][NH1][C][Ring1][=N][=Ring1][=Branch1]", "[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][S][C][Ring1][O][=Ring1][=Branch1]" ], "smiles": [ "COc1ccc(C(C)=O)c2sc(=O)[nH]c12", "CC(=O)c1ccc(O)c2[nH]c(=O)sc12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CN1CCCC1=O.O .", "role": "assistant" } ]

{ "selfies": [ "[F][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][C][N][Ring1][=Branch1][C][=C][Ring1][N]", "[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=C][Ring1][N][C][Ring2][Ring1][Ring1][=O]", "[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][#C][=O]" ], "smiles": [ "Fc1ccc(C2CNCCN2)cc1", "O=C(O)c1cn(C2CC2)c2nc3cc(Cl)c(F)cc3cc2c1=O", "O=C(O)c1cn(C2CC2)c2nc3cc(N4CCNC(c5ccc(F)cc5)C4)c(F)cc3cc2c1=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "CCN(CC)CC .", "role": "assistant" } ]

{ "selfies": [ "[N][C][C][C][Br]", "[O][=C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][N][C][C][Ring1][=Branch1]", "[N][C][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "NCCCBr", "O=C1NCN(c2ccccc2)C12CCNCC2", "NCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "C1COCCO1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#C][N][C][C][C][C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=N][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2]", "[N][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch2][C][C][C][N][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCC(N2CCCCc3cc(NC(=N)c4cccs4)ccc32)C1", "N=C(Nc1ccc2c(c1)CCCCN2C1CCNC1)c1cccs1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][O][Ring1][=N]", "[N][#C][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][C][C][C][C][N][Ring1][=Branch1][=N][Ring1][O][=C][Ring1][P]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCCCC1c1nc(-c2cccc(C#N)c2)no1", "N#Cc1cccc(-c2noc(C3CCCCN3)n2)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "O=CO .", "role": "assistant" } ]

{ "selfies": [ "[C][N][Branch1][Branch1][C][C][C][Br][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][#C]", "[C][N][Branch2][Ring1][O][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "CN(CCCBr)C(c1ccccc1)(c1ccccc1)c1ccccc1", "c1ccc(N2CCNCC2)c(C2CC2)c1", "CN(CCCN1CCN(c2ccccc2C2CC2)CC1)C(c1ccccc1)(c1ccccc1)c1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][=C][C][=C][C][=N][C][Branch2][Ring1][P][C][C][C][C][Branch1][O][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][N][Ring1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S]", "[C][C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][S][C][=C][C][=N][C][Branch2][Ring1][Ring2][C][C][C][C][Branch1][O][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][N][Ring1][O][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2]" ], "smiles": [ "CCOc1ccc(F)c(-c2ccnc(C3CCC4(CCN(C)C4=O)N3C(=O)OC(C)(C)C)c2C)c1", "CCOc1ccc(F)c(-c2ccnc(C3CCC4(CCN(C)C4=O)N3)c2C)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: Cl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][=C][C][C][Ring1][=Branch1][Branch1][C][C][C][Ring1][O][C][C][C][Ring2][Ring1][C][Ring1][#C][C]", "[C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][=C][C][C][Ring1][=Branch1][Branch1][C][C][C][Ring1][O][C][C][C][Ring2][Ring1][C][Ring1][#C][C]" ], "smiles": [ "CC(=O)C1CCC2C3CCC4CC=CCC4(C)C3CCC12C", "CC(O)C1CCC2C3CCC4CC=CCC4(C)C3CCC12C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][=Branch2][N][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][Ring1][P][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][#C][=O]", "[C][O][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][=Branch2][N][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][Ring1][P][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][#C][=O]" ], "smiles": [ "COCC(O)Cn1c(=O)c2c(nc(Oc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O", "COCC(=O)Cn1c(=O)c2c(nc(Oc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "CS(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]", "[O][C][C][=C][C][=N][C][=C][Ring1][=Branch1]", "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1]" ], "smiles": [ "CC(C)(C)[Si](C)(C)Cl", "OCc1ccncc1", "CC(C)(C)[Si](C)(C)OCc1ccncc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]", "[C][N][C][C][O]", "[C][N][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]" ], "smiles": [ "CC(C)(C)[Si](C)(C)Cl", "CNCCO", "CNCCO[Si](C)(C)C(C)(C)C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[Br][C][C][C][C][C][Br]", "[C][C][C][C][=C][Branch1][N][O][C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][C][O]", "[C][C][C][C][=C][Branch1][N][O][C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][C][O][C][C][C][C][C][Br]" ], "smiles": [ "BrCCCCCBr", "CCCc1c(OCCCC(=O)OCC)ccc(C(C)=O)c1O", "CCCc1c(OCCCC(=O)OCC)ccc(C(C)=O)c1OCCCCCBr" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][C][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][N][Branch1][=Branch1][C][C][Ring2][Ring1][=Branch1][C][C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][#C]", "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][C][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][N][Branch1][=Branch1][C][C][Ring2][Ring1][=Branch1][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=N]" ], "smiles": [ "CC(C)(C)OC(=O)CN1CCCN2CCN(CC(=O)OC(C)(C)C)CCCN(CC1)CC(Cc1ccc([N+](=O)[O-])cc1)C2", "CC(C)(C)OC(=O)CN1CCCN2CCN(CC(=O)OC(C)(C)C)CCCN(CC1)CC(Cc1ccc(N)cc1)C2" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][N]", "[O][=C][Branch2][Ring1][P][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][C][C][Ring1][=Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)CC1", "O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCNCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][C][=Branch2][Ring1][N][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][O][C][=Branch2][Ring2][Branch1][=C][C][=C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][Ring2][Ring2][Branch2][=O]", "[C][O][C][=C][C][=C][C][=Branch1][=N][=C][Ring1][=Branch1][C][N][C][C][N][C][C][Ring1][=Branch1][O][C][=Branch2][Ring2][Branch1][=C][C][=C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][Ring2][Ring1][P][=O]" ], "smiles": [ "COc1ccc2c(c1CN1CCN(C(=O)OC(C)(C)C)CC1)OC(=Cc1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)C2=O", "COc1ccc2c(c1CN1CCNCC1)OC(=Cc1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)C2=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "C1COCCO1.ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][N][C][=Branch1][C][=O][C][=C][Branch1][S][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][Ring1][=C][N][C][C][C][Ring1][#C]", "[N-1][=N+1][=N-1]", "[C][O][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][N][Ring1][P][N][C][C][C][Ring2][Ring1][C]" ], "smiles": [ "COCn1c(=O)c2c(c3ccc(CC#N)cc31)NCCC2", "[N-]=[N+]=[N-]", "COCn1c(=O)c2c(c3ccc(Cc4nnn[nH]4)cc31)NCCC2" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][O][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][#C][Si][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][N][Branch1][=Branch1][O][C][Ring2][Ring1][C][O][C][Ring2][Ring1][Ring2]", "[C][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][O][C][C][Branch1][Ring1][C][C][Branch1][Branch1][C][O][Ring1][Branch2][C][O][Ring1][#Branch2][C][=C][Ring1][S]" ], "smiles": [ "CCC12COC(c3ccc(C#C[Si](C)(C)C)cc3)(OC1)OC2", "C#Cc1ccc(C23OCC(CC)(CO2)CO3)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[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][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]" ], "smiles": [ "CN", "O=[N+]([O-])c1ccccc1S(=O)(=O)Cl", "CNS(=O)(=O)c1ccccc1[N+](=O)[O-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][=Branch1][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=Ring2][Ring1][C]", "[C][O][C][C][=Branch1][C][=O][Cl]", "[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][=C][C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][=C][Ring1][N][=C][S][Ring1][P][C][=Ring2][Ring1][#Branch1]" ], "smiles": [ "CCOC(=O)c1cnn(Cc2nc(-c3ccc(N)cc3)cs2)c1", "COCC(=O)Cl", "CCOC(=O)c1cnn(Cc2nc(-c3ccc(NC(=O)COC)cc3)cs2)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][Branch1][C][O][Branch2][Branch1][#Branch2][C][=C][C][=C][C][=C][Branch2][Ring2][O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][S][C][=C][Ring2][Ring1][O][C][C][C]", "[C][O][C][=Branch1][C][=O][C][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]", "[C][C][C][Branch1][C][O][Branch2][Branch1][=Branch2][C][=C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=C][N][=C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N][C][C][C]" ], "smiles": [ "CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1C)CC", "COC(=O)Cc1cncc(Br)c1", "CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3cncc(CC(=O)OC)c3)c(C)c2)cc1C)CC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "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][=C][Branch1][Ring2][C][C][N][C][=C][Ring1][=Branch2][O][C]", "[C][O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S][O][C]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "COc1ccc(CCN)cc1OC", "COc1ccc(CCNC(=O)OC(C)(C)C)cc1OC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][=C][Ring1][#Branch2]", "[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][Ring1][P]" ], "smiles": [ "CC(=O)Oc1cccc2cc(S(=O)(=O)Cl)ccc12", "NCc1ccccc1", "CC(=O)Oc1cccc2cc(S(=O)(=O)NCc3ccccc3)ccc12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][#Branch1][=O]", "[C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][=C][Branch1][C][O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][=N]" ], "smiles": [ "CCOC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(Cc2ccc(CC)cc2)c1=O", "CCc1ccc(Cn2c(=O)c(C(=O)NCC(=O)O)c(O)n(C3CCCCC3)c2=O)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]