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MolInst_FS_125K_SMILES_1_8_MMChat

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OpenMol 3

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][C][Ring1][Branch1]", "[O][=C][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C]", "[C][C][=Branch1][C][=O][O]", "[C][C][Branch1][C][C][O]", "[C][C][O][C][Branch1][C][C][=O]", "[C][O]", "[BH3-1][C][#N]", "[Na+1]" ], "smiles": [ "CC(C)(C)OC(=O)NC1CCNC1", "O=C1CCC(O)(c2ccc(F)cc2)CC1", "CC(=O)O", "CC(C)O", "CCOC(C)=O", "CO", "[BH3-]C#N", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "CC(C)(C)OC(=O)NC1CCN(C2CCC(O)(c3ccc(F)cc3)CC2)C1", "role": "assistant" } ]

{ "selfies": [ "[N][C][=N][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2][S][Ring2][Ring1][=N]", "[O][=C][Branch1][C][Cl][C][C][C][Ring1][Ring1]", "[C][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]", "[O]", "[C][=C][C][=N][C][=C][Ring1][=Branch1]" ], "smiles": [ "Nc1nc2ccc(Oc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)cc2s1", "O=C(Cl)C1CC1", "CN(C)c1ccncc1", "O", "c1ccncc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][C][Ring1][=Branch2][=C][Ring1][=N]", "[C][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][N][=C][Ring1][Branch2]", "[C][C][O][C][C][O][Ring1][=Branch1]", "[O]", "[C][=C][C][=N][C][=C][Ring1][=Branch1]" ], "smiles": [ "CCCCCCCCCCOc1ccc2cc(C(=O)Cl)ccc2c1", "CCCCc1ccc(O)c(N)c1", "C1COCCO1", "O", "c1ccncc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CCCCCCCCCCOc1ccc2cc(C(=O)Nc3cc(CCCC)ccc3O)ccc2c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][Branch1][=C][C][O][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][O][C][C]", "[C][N][C][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][=N][Ring1][P]", "[C][C][=Branch1][C][=O][N][Branch1][C][C][C]", "[C][C][Branch1][C][C][Branch1][C][C][O-1]", "[O]", "[K+1]" ], "smiles": [ "CCOC(COc1cnc(Cl)nc1)OCC", "Cn1ccc(Nc2ncnc3ccc(O)cc23)n1", "CC(=O)N(C)C", "CC(C)(C)[O-]", "O", "[K+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.", "role": "user" }, { "content": "CCOC(COc1cnc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)nc1)OCC", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring2][#Branch2][C][C][C][=C][S][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][#C]", "[Li+1]", "[OH1-1]" ], "smiles": [ "CCOC(=O)C1CCCN(CCc2csc(NC(=O)Nc3ccc(C)cc3C(=O)C3CCCC3)n2)C1", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "Cc1ccc(NC(=O)Nc2nc(CCN3CCCC(C(=O)O)C3)cs2)c(C(=O)C2CCCC2)c1", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][=C][Branch1][C][Br][C][=C][Branch2][Ring2][O][N][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][S][C][=N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=C][=O]", "[C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring1][N]", "[C][O]", "[O]" ], "smiles": [ "Cn1cc(Br)cc(Nc2ccc(N3CCN(CCO[Si](C)(C)C(C)(C)C)CC3)cn2)c1=O", "CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2", "CO", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "Cn1cc(Br)cc(Nc2ccc(N3CCN(CCO)CC3)cn2)c1=O", "role": "assistant" } ]

{ "selfies": [ "[N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=S][N][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][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][O]", "[BH4-1]", "[Cl-1]", "[NH4+1]", "[NH4+1]", "[Na+1]", "[OH1-1]" ], "smiles": [ "NC1CCCCC1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1", "O=Cc1ccccc1", "CO", "[BH4-]", "[Cl-]", "[NH4+]", "[NH4+]", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "FC(F)(F)c1cc(NC(=S)NC2CCCCC2NCc2ccccc2)cc(C(F)(F)F)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][Cl]", "[N][C][=C][C][=C][Branch1][P][C][=C][S][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][Ring1][S]", "[C][C][C][O][C][Ring1][Branch1]", "[C][N][C][C][O][C][C][Ring1][=Branch1]" ], "smiles": [ "CC(=O)Cl", "Nc1ccc(-c2csc3ccnc(N)c23)cc1", "C1CCOC1", "CN1CCOCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "CC(=O)Nc1ccc(-c2csc3ccnc(N)c23)cc1", "role": "assistant" } ]

{ "selfies": [ "[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][C][C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]", "[H-1]", "[I-1]", "[Na+1]" ], "smiles": [ "BrCc1ccccc1", "OCCc1coc(-c2ccccc2)n1", "C1CCOC1", "CCCC[N+](CCCC)(CCCC)CCCC", "[H-]", "[I-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "c1ccc(COCCc2coc(-c3ccccc3)n2)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1]", "[C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][C][Br][S][C][=Ring1][=Branch1][N][C]", "[C][C][O][C][C][O][Ring1][=Branch1]", "[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCNCC1", "CCOC(=O)c1nc(Br)sc1NC", "C1COCCO1", "CCN(C(C)C)C(C)C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "CCOC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1NC", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Ring1][=N][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]", "[C][C][O]", "[Cl]", "[K+1]", "[OH1-1]" ], "smiles": [ "CCOC(=O)c1nc(-c2ccccc2C)n(C)c1CCC12CC3CC(CC(C3)C1)C2", "CCO", "Cl", "[K+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "Cc1ccccc1-c1nc(C(=O)O)c(CCC23CC4CC(CC(C4)C2)C3)n1C", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch2][Branch1][=N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring2][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F][C][C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch2]", "[C][C][O]", "[H][H]", "[Pd]" ], "smiles": [ "COc1ccc(C(=O)CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc([N+](=O)[O-])cc3F)CC2)cc1", "CCO", "[H][H]", "[Pd]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "COc1ccc(C(=O)CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(N)cc3F)CC2)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch2][=Branch1][O][C][N][C][=Branch1][C][=O][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][C][N][N][=C][Branch1][Ring1][C][N][C][Branch2][Ring1][S][C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Branch1][Ring2]", "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "[Cl][C][Cl]" ], "smiles": [ "COc1ccc(CN2C(=O)C(NC(=O)OCc3ccccc3)C2Cn2nc(CN)c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)n2)c(OC)c1", "O=[N+]([O-])c1ccccc1S(=O)(=O)Cl", "ClCCl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "COc1ccc(CN2C(=O)C(NC(=O)OCc3ccccc3)C2Cn2nc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)n2)c(OC)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][Cl]", "[O][C][C][N][C][=Branch1][C][=S][N][C][C][S][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][Branch1][C][C][=O]", "[C][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]", "[C][=C][C][=N][C][=C][Ring1][=Branch1]" ], "smiles": [ "CC(=O)Cl", "OCCNC(=S)NC1CSc2c(F)cccc21", "C1CCOC1", "CCOC(C)=O", "CN(C)c1ccncc1", "c1ccncc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CC(=O)OCCNC(=S)NC1CSc2c(F)cccc21", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][P][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]", "[Cl]", "[Na+1]", "[OH1-1]" ], "smiles": [ "COC(=O)Cc1ccc(CC(NS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)cc1", "Cl", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "O=C(O)Cc1ccc(CC(NS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][N][C][=N][N][C][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][=C][Ring2][Ring1][#Branch2][Ring1][=Branch2]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][O]" ], "smiles": [ "COC(=O)Cc1c(OC(=O)c2ccc(NC=NN)cc2)ccc2cc(C(=N)N)ccc12", "CS(=O)(=O)O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "N=C(N)c1ccc2c(CC(=O)O)c(OC(=O)c3ccc(NC=NN)cc3)ccc2c1", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][C][=C][C][Branch1][Branch2][C][C][C][C][N][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C]", "[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][O][C][Branch1][C][C][=O]", "[Cl]", "[Cl][C][Cl]", "[C][=C][C][=N][C][=C][Ring1][=Branch1]" ], "smiles": [ "C=CCOC(=O)NC(Cc1cc(C2CCCN2)no1)C(=O)OCC", "O=C(Cl)c1ccccc1", "CCOC(C)=O", "Cl", "ClCCl", "c1ccncc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "C=CCOC(=O)NC(Cc1cc(C2CCCN2C(=O)c2ccccc2)no1)C(=O)OCC", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=N][C][=N][C][Branch2][Ring2][=Branch1][N][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring1][P][O][C][Branch1][C][C][=O]", "[Cl]", "[Cl]", "[N]" ], "smiles": [ "COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OC(C)=O", "Cl", "Cl", "N" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.", "role": "user" }, { "content": "COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1O", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][Cl]", "[C][O]", "[O][=C][Branch1][C][O-1][O-1]", "[K+1]", "[K+1]" ], "smiles": [ "CC(=O)OCc1c(Cl)cc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2)cc1Cl", "CO", "O=C([O-])[O-]", "[K+]", "[K+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "O=C(c1ccc(-c2cc(Cl)c(CO)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1", "role": "assistant" } ]

{ "selfies": [ "[N][C][=N][C][=N][C][S][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][C][=Ring1][=C]", "[C][C][O]", "[O]", "[Cl-1]", "[Fe]", "[NH4+1]" ], "smiles": [ "Nc1ncnc2snc(-c3ccc([N+](=O)[O-])cc3)c12", "CCO", "O", "[Cl-]", "[Fe]", "[NH4+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "Nc1ccc(-c2nsc3ncnc(N)c23)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Branch1][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][O][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][=O]", "[C][C][O][C][C][O][Ring1][=Branch1]", "[Cl]", "[O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "COC(=O)Cn1c(=O)c2ccncc2n(Cc2cn(C)c3cccc(C)c23)c1=O", "C1COCCO1", "Cl", "O", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "Cc1cccc2c1c(Cn1c(=O)n(CC(=O)O)c(=O)c3ccncc31)cn2C", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C]", "[O][=C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]", "[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]", "[C][O]", "[O][=S][Branch1][C][Cl][Cl]" ], "smiles": [ "Nc1cccc2c(=O)n(Cc3ccc(C(F)(F)F)nc3)ccc12", "O=C(O)Cc1ccc(Cl)c(C(F)(F)F)c1", "CCN(C(C)C)C(C)C", "CO", "O=S(Cl)Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2c(=O)n(Cc3ccc(C(F)(F)F)nc3)ccc12", "role": "assistant" } ]

{ "selfies": [ "[C][O][N][=C][Branch2][Ring2][=Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][Branch1][N][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[O]", "[Na+1]", "[OH1-1]" ], "smiles": [ "CON=C(COc1ccc(COc2ccc(C(O)CC(=O)OC)cc2)cc1)c1ccccc1", "C1CCOC1", "CO", "O", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "CON=C(COc1ccc(COc2ccc(C(O)CC(=O)O)cc2)cc1)c1ccccc1", "role": "assistant" } ]

{ "selfies": [ "[N][C][=N][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][S][Ring2][Ring1][C]", "[O][=C][Branch1][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[C][C][N][=C][=N][C][C][C][N][Branch1][C][C][C]", "[C][N][Branch1][C][C][C][=O]", "[Cl]", "[Cl]", "[O]", "[O][=C][Branch1][C][O-1][O]", "[O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]", "[Na+1]" ], "smiles": [ "Nc1nc(-c2ccoc2)c(C(=O)C2CCOCC2)s1", "O=C(O)Cc1cccnc1", "CCN(CC)CC", "CCN=C=NCCCN(C)C", "CN(C)C=O", "Cl", "Cl", "O", "O=C([O-])O", "On1nnc2ccccc21", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?", "role": "user" }, { "content": "O=C(Cc1cccnc1)Nc1nc(-c2ccoc2)c(C(=O)C2CCOCC2)s1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][N][C][N][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][Ring1][=C]", "[O][=C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]", "[C][N][Branch1][C][C][C][=O]" ], "smiles": [ "CC(N)Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1", "O=C(O)c1nc2ccccc2[nH]1", "CN(C)C=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1nc2ccccc2[nH]1", "role": "assistant" } ]

{ "selfies": [ "[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "[O][C][C][C][C][C][C][N][Branch1][=C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][Ring1]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[C][O]", "[Cl][C][Cl]", "[Cl][C][Cl]", "[O]", "[Cl-1]", "[Cl-1]", "[Cl-1]", "[Cl-1]", "[Cl-1]", "[Cl-1]", "[H+1]", "[H+1]", "[I-1]", "[K+1]", "[Pt]" ], "smiles": [ "CS(=O)(=O)Cl", "OCC1CCC2CN(c3noc4ccccc34)CCN2C1", "CCN(CC)CC", "CO", "ClCCl", "ClCCl", "O", "[Cl-]", "[Cl-]", "[Cl-]", "[Cl-]", "[Cl-]", "[Cl-]", "[H+]", "[H+]", "[I-]", "[K+]", "[Pt]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "CS(=O)(=O)OCC1CCC2CN(c3noc4ccccc34)CCN2C1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][P][=O]", "[C]", "[C][C][O]", "[Pd]" ], "smiles": [ "CC(C)(C)OC(=O)NC1CN(C2C=CCCC2)c2ccccc2NC1=O", "C", "CCO", "[Pd]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?", "role": "user" }, { "content": "CC(C)(C)OC(=O)NC1CN(C2CCCCC2)c2ccccc2NC1=O", "role": "assistant" } ]

{ "selfies": [ "[O][=C][NH1][C][=N][C][C][Branch2][Ring1][Ring1][C][N][Branch1][=Branch1][C][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][NH1][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1]", "[C][C][Branch1][C][C][O]", "[Pd]" ], "smiles": [ "O=c1[nH]cnc2c(CN(CCCCO)Cc3ccccc3)c[nH]c12", "CC(C)O", "[Pd]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.", "role": "user" }, { "content": "O=c1[nH]cnc2c(CNCCCCO)c[nH]c12", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][C][N][Ring1][=Branch1]", "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=O][C][C][Ring1][=C]", "[C][C][O][C][Branch1][C][C][=O]", "[C][O]", "[BH3-1][C][#N]", "[Na+1]" ], "smiles": [ "C1COCCN1", "CC(C)(C)OC(=O)N1CCN(c2ccccc2C=O)CC1", "CCOC(C)=O", "CO", "[BH3-]C#N", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "CC(C)(C)OC(=O)N1CCN(c2ccccc2CN2CCOCC2)CC1", "role": "assistant" } ]

{ "selfies": [ "[Br][C][C][C][C][Ring1][Ring1]", "[C][N][C][=C][Branch1][P][C][=C][C][=C][N][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=N][Ring1][#C]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][Branch1][C][C][=O]", "[C][N][Branch1][C][C][C][=O]", "[C][Si][Branch1][C][C][Branch1][C][C][N-1][Si][Branch1][C][C][Branch1][C][C][C]", "[C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[Na+1]" ], "smiles": [ "BrCC1CC1", "Cn1cc(-c2cc3cnc(Br)cc3[nH]2)cn1", "C1CCOC1", "CCOC(C)=O", "CN(C)C=O", "C[Si](C)(C)[N-][Si](C)(C)C", "Cc1ccccc1", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "Cn1cc(-c2cc3cnc(Br)cc3n2CC2CC2)cn1", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][=Branch1][C][=O][C][=C][C][C][=C][N][=C][Branch2][Ring2][Branch1][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=N][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Ring2][Ring2][C][Ring2][Ring2][#Branch1]", "[C][C][O][C][C][O][Ring1][=Branch1]", "[C][C][O][C][C]", "[C][O]", "[Cl]" ], "smiles": [ "Cn1c(=O)ccc2c3cnc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)nc3n(C3CCCC3)c21", "C1COCCO1", "CCOCC", "CO", "Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "Cn1c(=O)ccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c21", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1]", "[C][O]", "[C][O-1]", "[Cl][C][Branch1][C][Cl][Cl]", "[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]", "[Na+1]" ], "smiles": [ "CC(C)(C)OC(=O)Nc1ccc(C(=O)C=C2CCN(Cc3ccccc3)CC2)cc1", "CO", "C[O-]", "ClC(Cl)Cl", "O=C(O)C(F)(F)F", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "Nc1ccc(C(=O)C=C2CCN(Cc3ccccc3)CC2)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][Branch1][Ring2][O][C][C][C][Branch1][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O]", "[C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][O][C][Branch1][C][C][=O]", "[C][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]", "[Cl][C][Cl]", "[O][C][=C][C][=C][C][NH1][N][=N][C][Ring1][=Branch2][=Ring1][Branch1]" ], "smiles": [ "CCOC(OCC)C(C)N(Cc1cccc2ccccc12)C(=O)C(N)Cc1ccc(OC(C)(C)C)cc1", "CN(CC(=O)O)NC(=O)NCc1ccccc1", "CCOC(C)=O", "CN(C)c1ccncc1", "ClCCl", "Oc1cccc2[nH]nnc12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "CCOC(OCC)C(C)N(Cc1cccc2ccccc12)C(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)CN(C)NC(=O)NCc1ccccc1", "role": "assistant" } ]

{ "selfies": [ "[N][C][C][C][C][C][C][Ring1][Branch1]", "[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2]", "[Cl][C][Cl]", "[O][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][C][=C][N][=C][Ring1][Branch1]" ], "smiles": [ "NCC1CCCC1", "O=C(O)c1ccc2cc[nH]c2c1", "ClCCl", "O=C(n1ccnc1)n1ccnc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "O=C(NCC1CCCC1)c1ccc2cc[nH]c2c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][#C][C][=C][C][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O][C][C][C][Ring2][Ring1][#C]", "[N][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][N][C][=C][C][NH1][N][=C][C][=Ring1][Branch1][Ring1][=Branch2][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2][C][C][C][Ring2][Ring1][=C]" ], "smiles": [ "CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(ccc5[nH]c(=O)[nH]c54)c3=O)cc2)CCC1", "NC1(c2ccc(-c3c(-c4ccccc4)oc4c(ccc5[nH]ncc54)c3=O)cc2)CCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "NC1(c2ccc(-c3c(-c4ccccc4)oc4c(ccc5[nH]c(=O)[nH]c54)c3=O)cc2)CCC1", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N]", "[O][=C][Branch1][C][O][C][C][C][N][C][C][Ring1][=Branch1]", "[C][C][#N]", "[O]", "[Na+1]", "[OH1-1]" ], "smiles": [ "CNc1nc(Cl)nc(-c2ccccc2)n1", "O=C(O)C1CCNCC1", "CC#N", "O", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "CNc1nc(-c2ccccc2)nc(N2CCC(C(=O)O)CC2)n1", "role": "assistant" } ]

{ "selfies": [ "[Cl][C][=C][C][=C][C][=C][N][=C][Branch1][C][Cl][C][Ring1][#Branch1][=C][Ring1][O]", "[C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N]", "[O]" ], "smiles": [ "Clc1ccc2ccnc(Cl)c2c1", "c1ccc(CN2CCNCC2)cc1", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "Clc1ccc2ccnc(N3CCN(Cc4ccccc4)CC3)c2c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][O][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][N]", "[C][C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1]", "[C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O]", "[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[H-1]", "[Na+1]", "[Pd]", "[Pd]", "[C][=C][C][=C][Branch2][Branch1][#C][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1][C][=C][Ring2][Ring2][=C]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCOc2nc(Cl)ccc2C1", "CC(O)C1CCCC1", "Cc1ccccc1", "O", "O=C(C=Cc1ccccc1)C=Cc1ccccc1", "O=C(C=Cc1ccccc1)C=Cc1ccccc1", "O=C(C=Cc1ccccc1)C=Cc1ccccc1", "[H-]", "[Na+]", "[Pd]", "[Pd]", "c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "CC(Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2)C1CCCC1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][N][C][C][Branch1][C][C][C][N][Branch1][S][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][S][Ring1][S][=Branch1][C][=O][=O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "COC(=O)CN1CC(C)CN(c2c(Cl)cc(Cl)cc2Cl)S1(=O)=O", "C1CCOC1", "CO", "O", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "CC1CN(CC(=O)O)S(=O)(=O)N(c2c(Cl)cc(Cl)cc2Cl)C1", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][C][C][=Branch1][C][=O][Cl]", "[O][C][=C][C][=C][Branch2][Branch1][O][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1]", "[Cl]", "[Cl][C][Cl]", "[C][=C][C][=N][C][=C][Ring1][=Branch1]" ], "smiles": [ "CCCCCC(=O)Cl", "Oc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccccc3)(c3ccc(F)cc3)O4)cc2)cc1", "Cl", "ClCCl", "c1ccncc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "CCCCCC(=O)Oc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccccc3)(c3ccc(F)cc3)O4)cc2)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Branch1][#Branch1][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][=C][=O][C][Ring2][Ring2][Branch1]", "[C][C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Branch2][=O]" ], "smiles": [ "COC(=O)C1CCCC(N2Cc3ccc(-c4ccc(NC(=O)c5nc(-c6ccccc6)oc5C)cc4)cc3C2=O)C1", "CC(C)C(C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4ccccc4)cc3)cc2C1=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(-c2ccc3c(c2)C(=O)N(C2CCCC(C(=O)O)C2)C3)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][=Branch1][C][=O][O]", "[C][N][C][C][N][C][C][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]", "[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][Cl]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[Cl][C][Cl]" ], "smiles": [ "CC(C)(C)OC(=O)NCCCCCC(=O)O", "CNCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1", "CC(C)(C)C(=O)Cl", "CCN(CC)CC", "ClCCl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNC(=O)OC(C)(C)C", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][=N][N][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#Branch2][O][=N][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C]", "[C][N][C][C][N][C][C][Ring1][=Branch1]", "[C][C][O]" ], "smiles": [ "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3O)nc12", "CN1CCNCC1", "CCO" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3O)nc12", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][=C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=N][C][=N][N][Ring2][Ring2][Ring2][Ring1][Branch1]", "[O][=C][Branch1][C][O-1][O]", "[NH3+1][O]", "[C][C][O][C][Branch1][C][C][=O]", "[C][S][Branch1][C][C][=O]", "[Cl-1]", "[Na+1]" ], "smiles": [ "CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(-c2ccc3c(c2)CC(C)(C)O3)c2ncnn12", "O=C([O-])O", "[NH3+]O", "CCOC(C)=O", "CS(C)=O", "[Cl-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(-c2ccc3c(c2)CC(C)(C)O3)c2ncnn12", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2]", "[C][O]", "[Pd]" ], "smiles": [ "Cn1c(=O)n(C2(C)CCN(Cc3ccccc3)CC2)c2ccccc21", "CO", "[Pd]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "Cn1c(=O)n(C2(C)CCNCC2)c2ccccc21", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][=Branch1][C][=O][Cl]", "[O][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][#Branch2][C][Ring2][Ring1][C][=C][Ring1][S][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][C][C][C][C][C][O][=C][Ring2][Ring1][Branch1][Ring2][Ring1][=Branch2]", "[C][C][O][C][C][O][Ring1][=Branch1]", "[Cl][C][Cl]", "[C][=C][C][=N][C][=C][Ring1][=Branch1]" ], "smiles": [ "C=CC(=O)Cl", "O=C1c2ccc3c4cccc5cccc(c6ccc(c2c36)C(=O)N1CCCCCO)c54", "C1COCCO1", "ClCCl", "c1ccncc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "C=CC(=O)OCCCCCN1C(=O)c2ccc3c4cccc5cccc(c6ccc(c2c36)C1=O)c54", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][N][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F]", "[C][C][=C][C][=Branch2][Ring1][=Branch2][=C][C][NH1][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][NH1][C][Ring1][#Branch1][=O][=N][C][Ring1][P][=Ring1][=N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][=O]", "[C][C][C][C][O]", "[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]" ], "smiles": [ "CC(N)Cc1c(F)c(F)cc(F)c1F", "Cc1c2c(cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc13)C(=O)N(CCN(C)C)C2=O", "CCCCO", "CCN(C(C)C)C(C)C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)C(=O)N(CCN(C)C)C2=O", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][N][=C][Branch1][C][N][S][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring1][S]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[Cl]", "[O]", "[O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "CCOC(=O)c1cccc(-c2ccc3nc(N)sc3n2)c1", "C1CCOC1", "CO", "Cl", "O", "O", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "Nc1nc2ccc(-c3cccc(C(=O)O)c3)nc2s1", "role": "assistant" } ]