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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1ccccc1N.O=C(Cl)c1ccccc1', 'Fc1ccc(CBr)cc1F.O=C1NCCc2ccnc(Cl)c21', 'Cc1ccc(C(N)c2ccccc2)c(C)c1.Cc1ncccc1CNC1(C)CCN(CC(=O)O)CC1', 'COC(=O)N1C[C@H](CN2CCCC2)NC[C@H]1CO.O=C(O)Cc1ccc(Cl)c(Cl)c1'] | 0 | Its SMILES notation is N#Cc1ccccc1NC(=O)c1ccccc1. | ChemQA/retro_39093 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(C)CC(=O)Nc2c(Br)cc3c(c21)OC(CN=[N+]=[N-])C3', 'CC(C)(C)[Si](C)(C)OCc1csc(C2(O)CCC(F)(F)CC2)n1', 'CC(C)(C)C(=O)OC[C@H]1O[C@@H](Oc2n[nH]c3cccc(C#Cc4ccc(/C=C/CC(=O)NC(C)(C)C(=O)N5CCN(C(=O)OCc6ccccc6)CC5)cc4)c23)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C.NC(=O)CBr', 'CN(C)C(=O)C(Cc1ccc(-c2cccc(F)c2F)nc1)NC(=O)OC(C)(C)C'] | 1 | Its SMILES notation is OCc1csc(C2(O)CCC(F)(F)CC2)n1. | ChemQA/retro_39094 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Brc1cccc(NCCCN2CCOCC2)n1.CI', 'COC(=O)c1cc(CBr)ccc1-c1ccc(OC)cc1C(F)(F)F.Fc1cccc(-c2nc3cn[nH]cc-3n2)c1F', 'CI.Oc1c(Br)ccc(Cl)c1F', 'CNC(=O)Cc1cn(C)c2ccc(F)c(O)c12.Clc1cccc(CBr)c1'] | 3 | Its SMILES notation is CNC(=O)Cc1cn(C)c2ccc(F)c(OCc3cccc(Cl)c3)c12. | ChemQA/retro_39095 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC[Mg+].CON(C)C(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O', 'CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C=C/CO)cc1.OC1CCNCC1', 'NC(=O)c1cccn1N.O=C(N=C=S)c1ccccc1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccsc1'] | 2 | Its SMILES notation is NC(=O)c1cccn1NC(=S)NC(=O)c1ccccc1. | ChemQA/retro_39096 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CCc1ccc(N)c(OC)c1.O=[N+]([O-])c1ccc(Cl)nc1', 'CCCN(CCC)CCCCNC(=O)c1cn2c(n1)CCC(CN)C2.O=Cc1ncc[nH]1', 'CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2)CC1', 'C#CC(C)C.Nc1ccccc1I'] | 0 | Its SMILES notation is CCOC(=O)CCc1ccc(Nc2ccc([N+](=O)[O-])cn2)c(OC)c1. | ChemQA/retro_39097 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1ccccc1N.O=C(Cl)CCl', 'CCOC(=O)c1cnc(N2CCNCC2)c(Cl)c1.O=C=Nc1ccc(Cl)c(Cl)c1', 'C1CCNCC1.COc1nc(Cl)nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)n1', 'CCOCC(=O)Cl.Nc1cnc2cccnc2c1NCc1cc(-c2ccc(F)cc2)no1'] | 2 | Its SMILES notation is COc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc(N2CCCCC2)n1. | ChemQA/retro_39098 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CCN1.Nc1ncnn2c(C(=O)CCl)ccc12', 'O=C([O-])COC(=O)Nc1cc(Cl)cc(Cl)c1', 'CCCCC(=O)c1oc2cc(C(F)(F)F)ccc2c1C.CCOC(=O)CP(=O)(OCC)OCC', 'CC(C)(C)OC(=O)CCOCCOCCO.COc1cc(O)cc([N+](=O)[O-])c1'] | 3 | Its SMILES notation is COc1cc(OCCOCCOCCC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1. | ChemQA/retro_39099 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(CS[C@H]2C[C@@H](C(=O)O)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1.OCCN1CCNCC1', 'CCOC(=O)C=Cc1cccc(NC(=O)c2csc(Cl)n2)c1.OB(O)c1ccccc1', 'COCCCOc1ccccc1C(=O)NC[C@@H](C[C@@H](CO)NC(=O)OC(C)(C)C)C(C)C', 'CC(=O)OCCCCBr.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCCNCC4)n3)ccc21'] | 1 | Its SMILES notation is CCOC(=O)C=Cc1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1. | ChemQA/retro_39100 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(OCc4ccccc4)cnc3F)n2)cc1', 'BrCc1ccc2ccccc2n1.COC(=O)C(C)(C)Cc1c(Cc2ccc(Cl)cc2)c2ccc(O)cc2n1C', 'CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(O)CN1CCCCC1', 'CCOC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)O)cnc12.Fc1ccc(C2CCNCC2)cc1F'] | 1 | Its SMILES notation is COC(=O)C(C)(C)Cc1c(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc2n1C. | ChemQA/retro_39101 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C[C@]1(COC(=O)c2ccccc2)C=CCCCO1', 'CCOC(=O)CN.O=S(=O)(Cl)c1ccc(F)cc1', 'CC(=O)OC(C)=O.CCNS(=O)(=O)c1cccc(C)c1C#N', 'CCOC(=O)c1nc2ccc(C)cc2c(Cl)c1C'] | 0 | Its SMILES notation is C[C@]1(CO)C=CCCCO1. | ChemQA/retro_39102 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)N1CCC(Oc2ccc(NC/C=C/c3cccc(C#N)c3)cc2)CC1.CC(C)=O', 'CCN(CC)C1CCc2oc3ccc(N)cc3c2C1.O=C(Cl)c1ccncc1', 'O=[N+]([O-])c1ccc(-c2nc(-c3cccs3)no2)cc1', 'CS(=O)(=O)OCCCC1CCCC1.Fc1cc(N2CCNCC2)ccc1OCc1ccccc1'] | 3 | Its SMILES notation is Fc1cc(N2CCN(CCCC3CCCC3)CC2)ccc1OCc1ccccc1. | ChemQA/retro_39103 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['FC(F)(F)c1cc(Cl)ccc1CBr.O=C(Nc1cc[nH]n1)c1c(F)cccc1F', 'CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)[C@H](NC(=O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C1', 'CNc1ccccc1.O=[N+]([O-])c1cc(Cl)ccc1F', 'CCN1CCCC1CN.CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)O)c1)CC2'] | 1 | Its SMILES notation is CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)[C@H](NC(=O)c2ccc(O)cc2)C1. | ChemQA/retro_39104 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCOCCOc1ccc(-c2ccc(N3CCC(CC(=O)OCC)C3)c(/C=C(\\C)C(=O)Nc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1', 'CCNC(=O)c1ccc(-n2nnc(C(=O)OC)c2OCC)cc1.NC1CC1', 'CCCCCCCCCCCCN(C)C.OCC(O)CCl', 'Cc1ncc(C(CO)NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1.Clc1ccc2onc(Cl)c2c1'] | 0 | Its SMILES notation is CCCCOCCOc1ccc(-c2ccc(N3CCC(CC(=O)O)C3)c(/C=C(\C)C(=O)Nc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1. | ChemQA/retro_39105 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C1CC2CCCC(C1)N2C(=O)c1ccc2nc(N[C@H]3CC[C@H](C(C)(C)C)CC3)ncc2c1', 'C1CCNCC1.CC(C)(C)OC(=O)N1CCc2cn(-c3ccc(Br)cc3)nc2CC1', 'CCOc1cc([C@@H](CC(=O)N(C)C)N2Cc3cccc(N)c3C2=O)ccc1OC.O=C(Cl)C1CC1', 'N#Cc1ccc(C#Cc2cc(Cl)ccc2-c2nc3ccccc3n2CC2CCCCC2)cc1'] | 2 | Its SMILES notation is CCOc1cc([C@@H](CC(=O)N(C)C)N2Cc3cccc(NC(=O)C4CC4)c3C2=O)ccc1OC. | ChemQA/retro_39106 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C1(C)CC(c2cc(Cl)cc(Cl)c2)=NO1', 'CCOC(=O)COc1ccc(C(CC)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1', 'CC(C)(C)OC(=O)Nc1cccc(C2=CC(=O)N(C(C)(C)C)S2(=O)=O)c1', 'CC(C)(C)c1ccc(C=O)cc1.CCOC(=O)CP(=O)(OCC)OCC'] | 3 | Its SMILES notation is CCOC(=O)C=Cc1ccc(C(C)(C)C)cc1. | ChemQA/retro_39107 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C1CCCC1Nc1ccc(Cl)cc1', 'CCOC(=O)CN1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1', 'Cc1ccc(-c2ncc[nH]2)cc1N.O=C(Cl)c1ccc(Oc2ccccc2)nc1', 'CC1(C)OC(=O)C(=CC(=O)Cl)O1.Clc1ccc(CNCCCc2ccccc2)cc1Cl'] | 3 | Its SMILES notation is CC1(C)OC(=O)C(=CC(=O)N(CCCc2ccccc2)Cc2ccc(Cl)c(Cl)c2)O1. | ChemQA/retro_39108 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)OC(C)=O.CC(=O)c1ccc(-c2ccc(N)cc2)o1', 'CNc1nc(C=O)c(-c2ccncc2)s1.c1ccc([P+](Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1', 'CCN1CCN(Cc2ccc(Nc3nccc4c(N)c(C)ccc34)cc2C(F)(F)F)CC1.O=C(O)c1csc2c(NC3CC3)ncnc12', 'COc1ccccc1-c1cc(NC(=O)C2CCCN(C(=O)OCc3ccccc3)C2)ncn1'] | 0 | Its SMILES notation is CC(=O)Nc1ccc(-c2ccc(C(C)=O)o2)cc1. | ChemQA/retro_39109 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1cnc(OC2CC2)cn1', 'CC(=O)OC(C)=O.CC(C)OC(=O)N1CCC(CCCOc2ccc(C(=O)NN)c(F)c2)CC1', 'O=[N+]([O-])c1ccc(OC2CCNCC2)c(F)c1', 'C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1'] | 2 | Its SMILES notation is Nc1ccc(OC2CCNCC2)c(F)c1. | ChemQA/retro_39110 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)c1nc(Cn2ccc(-c3ccc(C(C)(C)C)cc3)cc2=O)nc(O)c1OCc1ccccc1', 'CN.O=C(O)COc1ccc(Cl)cc1CC1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O', 'CC(C)I.O=C(c1c[nH]c2cc(Cl)ccc12)C(F)(F)F', 'Cc1onc(-c2ccc(Br)cc2)c1-c1c[nH]cn1.O=[N+]([O-])c1ccc(F)cc1'] | 1 | Its SMILES notation is CNC(=O)COc1ccc(Cl)cc1CC1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O. | ChemQA/retro_39111 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCS(=O)(=O)c1ccc(Oc2ccc(N)c(C(=O)OC)c2)cc1.O=C(O)c1ccccn1', 'NCc1cncnc1.O=C(O)/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1', 'N[C@H]1CCCN(Cc2ccccc2)C1.O=C(Nc1ccncc1)c1cnc2c(Nc3ccccn3)cc(Cl)nn12', 'N#Cc1c(OS(=O)(=O)C(F)(F)F)nc(N)nc1-c1ccco1.O=C([O-])[O-]'] | 2 | Its SMILES notation is O=C(Nc1ccncc1)c1cnc2c(Nc3ccccn3)cc(N[C@H]3CCCN(Cc4ccccc4)C3)nn12. | ChemQA/retro_39112 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1nccc(Oc2ccc([N+](=O)[O-])cc2F)c1C#Cc1ccccn1', 'Nc1cc(I)ccc1C(=O)O.O=S(=O)(Cl)c1c(F)cccc1F', 'BrCc1ccccc1.Nc1nc(N)c2c(N3CCNCC3)cccc2n1', 'C1COCCN1.COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(C=O)o4)ccc23)c(Cl)cc1Cl'] | 1 | Its SMILES notation is O=C(O)c1ccc(I)cc1NS(=O)(=O)c1c(F)cccc1F. | ChemQA/retro_39113 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)N1CCC(O)(C#Cc2ccc(F)c(C#N)c2)CC1', 'COc1cccc(C2(CN(C)C)CCOCC2)c1', 'CCCCN(C)C(=O)C1CCc2c(sc3ncnc(Cl)c23)C1.COc1cc2[nH]c(=O)sc2cc1N', 'CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CCOc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(Br)c3)n2)ccc1C(F)(F)F'] | 0 | Its SMILES notation is CC(C)(C)OC(=O)N1CCC(O)(CCc2ccc(F)c(C#N)c2)CC1. | ChemQA/retro_39114 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cc(C#N)c(SC)nc1N', 'C1CCN(CC2CCCCN2)CC1.O=C1CC(C(=O)Cl)c2cc(Cl)c(Cl)cc21', 'ClCc1ccc(-c2cccc(Cl)c2)o1.O=C1Nc2ccccc2C12COc1cc3c(cc12)OCO3', 'CC(C)(C)OC(=O)NN.O=C1CCOC1'] | 2 | Its SMILES notation is O=C1N(Cc2ccc(-c3cccc(Cl)c3)o2)c2ccccc2C12COc1cc3c(cc12)OCO3. | ChemQA/retro_39115 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCNC(=O)c1cccnc1Cn1c(=O)c2c(c(C#N)c(N3CCCN(C(=O)OC(C)(C)C)CC3)n2CC=C(C)C)n(C)c1=O', 'CCCN.O=C(O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21', 'CCOC(=O)c1cc2c(Nc3cccc(Cl)c3)ncnc2[nH]1', 'COC(=O)Cc1cccc(OC)c1OCCCc1cn(-c2cccc(C(F)(F)F)n2)nc1C(C)C'] | 2 | Its SMILES notation is OCc1cc2c(Nc3cccc(Cl)c3)ncnc2[nH]1. | ChemQA/retro_39116 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CCC(C(=O)OC)N1CCCC1=O', 'CCc1ccc(N=C=O)cc1.Nc1ccc(Oc2ccnc(-c3nnn[nH]3)c2)cc1', 'Brc1cccc(N2CC=CC2)c1.[Mg+]Cc1ccccc1', 'CN.COc1cc(C=O)ccc1Oc1cc(Cl)ccc1C#N'] | 2 | Its SMILES notation is C1=CCN(c2cccc(Cc3ccccc3)c2)C1. | ChemQA/retro_39117 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['ClC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cccc(F)c3)cc12)C(F)(F)F', 'CCCn1nnnc1N.O=C(O)C1CCCC1', 'CN1CCc2c(cncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.O=C(OO)c1cccc(Cl)c1', 'COC(=O)c1ccc(CNC2CCCCC2F)cc1.O=S(=O)(Cl)c1ccc(Cl)cc1'] | 2 | Its SMILES notation is C[N+]1([O-])CCc2c(cncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1. | ChemQA/retro_39118 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C(CC)CN[C@@H](C)C(=O)O.CCOC(=O)Cl', 'C=CCCCCCCCCCCCCCCOCc1ccccc1', 'CC(=O)NCC1CN(c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)C(=O)O1', 'CC(C)(C)[S@@](N)=O.O=C(c1cc(Br)ccc1F)C(F)F'] | 2 | Its SMILES notation is CC(=O)NCC1CN(c2ccc3c(c2)CNCCO3)C(=O)O1. | ChemQA/retro_39119 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)N(c1nc2ccccn2c1C1CC1)S(=O)(=O)c1ccccc1', 'C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@@H]12.O=CO', 'CC(C)(C)OC(=O)NCCCCN.Cn1c(C=O)nc2ccccc21', 'C#Cc1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.CC(C)(C)OC(=O)NNC(=O)Cc1ccc(Br)cc1'] | 2 | Its SMILES notation is Cn1c(CNCCCCNC(=O)OC(C)(C)C)nc2ccccc21. | ChemQA/retro_39120 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CBr.Cc1ncc(CS)c2c1OC(C)(C)OC2', 'COc1ccc(CC(O)CN)cc1.Cn1c(Cl)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O', 'C#CCCCCC(=O)O.Clc1ncc(-c2ccccc2)c(-c2ccccc2)n1', 'COC(=O)CCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1SC'] | 2 | Its SMILES notation is O=C(O)CCCCC#Cc1ncc(-c2ccccc2)c(-c2ccccc2)n1. | ChemQA/retro_39121 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(C)(OC)c1ncc(C2(O)CCCn3cncc32)s1', 'COc1ccc(-c2cccc3[nH]c4cnn(C)c4c(=O)c23)cc1', 'Cn1c(CCCO)nc2ccccc21.Cn1cc(O)c(=O)c(-c2ccnn2-c2ccccc2)n1', 'CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1'] | 2 | Its SMILES notation is Cn1cc(OCCCc2nc3ccccc3n2C)c(=O)c(-c2ccnn2-c2ccccc2)n1. | ChemQA/retro_39122 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(F)(F)CCCCn1cc(N)cn1.COc1cccc(-c2ocnc2C(=O)O)c1', 'CCCCC(CC(=O)OCC)c1sc2cc(OC)ccc2c1C', 'COc1ccc(C=CC(=O)NN)cc1.O=C(OC(=O)C(F)(F)F)C(F)(F)F', 'Cc1cc(C(=O)N2Cc3ccccc3Cc3ccccc32)ccc1[N+](=O)[O-]'] | 0 | Its SMILES notation is COc1cccc(-c2ocnc2C(=O)Nc2cnn(CCCCC(C)(F)F)c2)c1. | ChemQA/retro_39123 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CCc1c(CC(=O)OCC)c2ccccc2n1C(=O)OC(C)(C)C', 'C#CC1(O)CCN(C)CC1.O=[N+]([O-])c1ccccc1F', 'COc1cc(CC#N)ccc1O.OCCCCCCCCCCCBr', 'CCOC(=O)C1(C#N)CCCC1'] | 2 | Its SMILES notation is COc1cc(CC#N)ccc1OCCCCCCCCCCCO. | ChemQA/retro_39124 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CN)cc3)cc2)CC1.O=C(Cl)Cc1ccccc1', 'COc1cccc(CN)c1.CS(=O)(=O)Cl', 'CCCC[Sn](CCCC)(CCCC)N=[N+]=[N-].N#Cc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1', 'COc1ccc(-c2nc3cc(Br)ccc3o2)cc1[N+](=O)[O-].COc1ccc(B(O)O)cc1'] | 0 | Its SMILES notation is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CNC(=O)Cc4ccccc4)cc3)cc2)CC1. | ChemQA/retro_39125 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#CCC(C(=O)OC)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3', 'CN1CCC(C(=O)c2ccccc2F)CC1.NO', 'Cc1cc(C(=O)O)n[nH]1.Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1', 'CC(C)(C)OC(=O)NCC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1.COc1cc(C)c2[nH]c(=O)c3sccc3c2c1Br'] | 2 | Its SMILES notation is Cc1cc(C(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)n[nH]1. | ChemQA/retro_39126 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1Cc2cc(B(O)O)ccc2O1.CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2nc(C)nn12', 'CC(=O)C(=O)O.Cc1cc(Nc2ccn(-c3ccccc3)n2)cc(C)c1O', 'O=[N+]([O-])c1ccccc1C=C1CCCC1', 'NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc2ccccc12.O=C(Cl)c1ccc(C(F)(F)F)cc1'] | 1 | Its SMILES notation is CC(=O)C(=O)Oc1c(C)cc(Nc2ccn(-c3ccccc3)n2)cc1C. | ChemQA/retro_39127 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1c(N)sc2cc(OC)ccc12.O=[N+]([O-])c1ccccc1F', 'FC(F)(F)Oc1ccc2c(c1)nc(Cl)c1ncc(Br)n12.NCCCO', 'CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccc(O)cc5)c5ccc(O)cc5)nc(N5CC[C@@H](NC(=O)OC(C)(C)C)C5)nc43)[C@H](O)[C@@H]2O)n1', 'CCOC(=O)C=C(C)C=CC=C(C)C=O.COc1c(C)c(C)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1C'] | 2 | Its SMILES notation is CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccc(O)cc5)c5ccc(O)cc5)nc(N5CC[C@@H](N)C5)nc43)[C@H](O)[C@@H]2O)n1. | ChemQA/retro_39128 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)N[C@H](COc1cncc(-c2ccc(C=O)cc2)c1)Cc1c[nH]c2ccccc12.Nc1ccccc1', 'Brc1ccc2c(c1)OCCn1cc(-c3ncc[nH]3)nc1-2.CC(C)I', 'CN1CCN(c2nc3ncc(Br)cc3nc2Cl)CC1.NN', 'CCCCc1nc2c(N)nc3ccccc3c2n1CCCCl.Sc1ccccc1'] | 1 | Its SMILES notation is CC(C)n1ccnc1-c1cn2c(n1)-c1ccc(Br)cc1OCC2. | ChemQA/retro_39129 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCc1nc2c(F)ccc(O[C@@H](C)C(=O)OC)c2c(OC(F)F)c1Cc1ccc(Cl)cc1', 'CCCCN=C=O.Oc1ccc(N=C=S)cc1', 'C=O.CCNCC.O=C(CCc1cccc(CCc2ccccc2)c1)N1CCc2ccoc2C1', 'COCOCCCc1cn(-c2ccc(Br)cn2)nc1C(C)C'] | 3 | Its SMILES notation is CC(C)c1nn(-c2ccc(Br)cn2)cc1CCCO. | ChemQA/retro_39130 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)SCC(=O)NCCCCCN.O=C(Cl)c1ccccc1', 'CCOC(=O)CN(C(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccc(SC)cc1.O=C([O-])O', 'C=C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1F', 'O=C(O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(Br)cc(OC(F)(F)F)c4)n3)cc21.OB(O)c1ccncc1'] | 3 | Its SMILES notation is O=C(O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(OC(F)(F)F)cc(-c5ccncc5)c4)n3)cc21. | ChemQA/retro_39131 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)NC(N)=S.O=C(CBr)c1cccc(CCO)c1', 'COc1cc(CC(=O)O)cc(OC)c1.Nn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O', 'COCCl.O=c1ccc2ccc(O)cc2o1', 'O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)CCO2'] | 0 | Its SMILES notation is CC(=O)Nc1nc(-c2cccc(CCO)c2)cs1. | ChemQA/retro_39132 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl', 'O=C(O)C1CNC1.O=Cc1ccc(C(=O)Cc2ccccc2)cc1', 'CCO.O=C(O)c1ccccc1Oc1cccc(F)c1', 'CB(O)O.N#CC1(c2cccc(Cl)n2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)CC1'] | 1 | Its SMILES notation is O=C(Cc1ccccc1)c1ccc(CN2CC(C(=O)O)C2)cc1. | ChemQA/retro_39133 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1CCC(C(C)C)C(OCCl)C1.O=C(O)c1ccc(O)cc1', 'O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F', 'COc1ccc(CN2C(=O)[C@@H](OCc3ccccc3)[C@H]2C(C)(C)C)cc1', 'O=C(O)CCl.OCCc1ccc(Cl)cc1'] | 3 | Its SMILES notation is O=C(O)COCCc1ccc(Cl)cc1. | ChemQA/retro_39134 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(O)cc1.FCCCCBr', 'CCCCc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c2ncccc2c1', 'Cc1cc2c(Cl)nc(-c3cccnc3)nc2s1.NCCc1ccc2c(c1)OCCO2', 'CCO.Nc1ccc(Br)cc1C(=O)O'] | 1 | Its SMILES notation is CCCCc1cc(OC2CCNCC2)c2ncccc2c1. | ChemQA/retro_39135 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc2ncc(F)c(C=O)c2n1', 'CN(C)CCCl.COC(=O)c1ccc(O)cc1', 'CCOC(=O)CNc1c(CC)cccc1CC.NN', 'CC=O.COCC[C@H]1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)CCN1'] | 0 | Its SMILES notation is COc1ccc2ncc(F)c(CO)c2n1. | ChemQA/retro_39136 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(CS(=O)(=O)Cl)c1ccc(-c2ccccc2F)cc1.CN', 'COc1ccc(Cn2nc(Cn3cnc(C(F)(F)F)c(Oc4cc(Cl)cc(C#N)c4)c3=O)cc(-c3ccccc3)c2=O)cc1', 'Cc1cc(C)c(C)c(C(=O)CBr)c1C.c1c[nH]cn1', 'COC(=O)C12CC3CC(C1)CC(c1ncc(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)s1)(C3)C2'] | 1 | Its SMILES notation is N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ncn(Cc3cc(-c4ccccc4)c(=O)[nH]n3)c2=O)c1. | ChemQA/retro_39137 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)N1CCNCC1.OCCCBr', 'Clc1nc2c(Br)cccn2n1.OB(O)c1cc(C(F)(F)F)ccc1Cl', 'CCOC(=O)CN1CC[N+](C)(C)CC1', 'C#CCO.[N-]=[N+]=Nc1cccc(Cl)c1'] | 3 | Its SMILES notation is OCc1cn(-c2cccc(Cl)c2)nn1. | ChemQA/retro_39138 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN.NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3nc(Cl)ccc3Cl)cc1-2', 'CC(C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4nnc(S(C)(=O)=O)s4)ccc32)cc1', 'Cc1c(Cc2cc(Cl)cc(Cl)c2)c(NC(=O)OC(C)(C)C)nn1CCO', 'CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)C(F)(F)F'] | 3 | Its SMILES notation is CNCC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)OCc2ccccc2)c(OCc2ccccc2)c1. | ChemQA/retro_39139 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C1CNOC1.CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)Cl', 'Cc1ccc(C=O)cc1[N+](=O)[O-].NO', 'CCS(=O)(=O)c1ccc(Sc2cc(Cl)ccc2OC)cc1', 'COC(=O)Cc1cc(O)cc(O)c1.ClCc1ccccc1'] | 2 | Its SMILES notation is CCS(=O)(=O)c1ccc(Sc2cc(Cl)ccc2O)cc1. | ChemQA/retro_39140 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CON(C)C(=O)c1cc(Cn2cncn2)cc(C(=O)c2ccccc2)c1', 'C=CCC1CCCNC1=O.Nc1ccc(I)c(Cl)c1', 'O=Cc1ccc(Br)cc1F.Oc1ccc(Cl)c(Cl)c1', 'CC(=O)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1.[Li]CCCC'] | 3 | Its SMILES notation is C=C(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1. | ChemQA/retro_39141 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]', 'COC[C@H]1C[C@@](Cc2cscn2)(C(=O)OC(C)(C)C)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1ncc(C)s1', 'C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2Cl)cc(F)c1NS(C)(=O)=O.OC1CCOC1', 'CCNCC.Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]'] | 3 | Its SMILES notation is CCN(CC)c1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]. | ChemQA/retro_39142 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)C1NC(CC2(CO)CC2)C(C#N)(c2ccc(Cl)cc2F)C1c1cccc(Cl)c1F', 'CCOC(=O)C1CC=C(c2ncc(-c3cn4c(Cc5ccccc5OC(F)F)c(C)nc4cc3F)cn2)CC1', 'BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CCCCc1nc(C(O)(CC)CC)c(C(=O)OCC)[nH]1', 'CC(C)(C)C(=O)OCCl.COc1cc2ccnc(CSc3nc4ccccc4[nH]3)c2cc1OCC(F)(F)F'] | 1 | Its SMILES notation is CCOC(=O)C1CCC(c2ncc(-c3cn4c(Cc5ccccc5OC(F)F)c(C)nc4cc3F)cn2)CC1. | ChemQA/retro_39143 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)Br.O=[N+]([O-])c1c[nH]cn1', 'CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc(OCc1ccccc1)c1ccccc21', 'O=C(O)c1ccn2ccnc2c1.c1ccc2c(c1)C[C@@H]1NCCC[C@H]21', 'COc1ncc(C)nc1N.O=S(=O)(Cl)c1cccc(Cl)c1Cl'] | 2 | Its SMILES notation is O=C(c1ccn2ccnc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21. | ChemQA/retro_39144 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#Cc1c(-c2ccccc2)noc1C.Cc1c[nH]nc1I', 'CN1CCNCC1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC(=O)CCNC(=O)CCl)cc34)cc2C)cn1', 'COC(=O)CN.COc1ccc([N+](=O)[O-])c(Cl)n1', 'CC(C)C(=O)Nc1cccc(C2CCNCC2)c1.CC(C)CCOc1ccc2ccccc2c1C=O'] | 2 | Its SMILES notation is COC(=O)CNc1nc(OC)ccc1[N+](=O)[O-]. | ChemQA/retro_39145 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@@H]3C[C@H](C(=O)N4CCCCC4)C3(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.O=C(OO)c1cccc(Cl)c1', 'COCCOc1cc2cc(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c2cn1', 'C1CCNCC1.O=C(O)COc1ccc(Br)nn1', 'Nc1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1.O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12'] | 2 | Its SMILES notation is O=C(COc1ccc(Br)nn1)N1CCCCC1. | ChemQA/retro_39146 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(CCO)Cc1ccccc1.O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1', 'CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(c3ccccc3Cl)C2=O)C1', 'COc1ccc2c(Cl)nc(Nc3cc(C)[nH]n3)cc2c1.Nc1ccc(F)cc1', 'CCOC(=O)C1CC1C(O)c1ccc2[nH]cc(C#N)c2c1'] | 3 | Its SMILES notation is CCOC(=O)C1CC1Cc1ccc2[nH]cc(C#N)c2c1. | ChemQA/retro_39147 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(C)OB(c2cc(F)c(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)OC1(C)C.CCC[C@H]1CC[C@H](c2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)OC1', 'Cc1nc(N)sc1C(=O)NCc1ccccc1.O=C(Cl)Cc1ccccc1', 'N#Cc1ccc(F)c2ccccc12.OC1(Cc2ccccc2)CCNCC1', 'CCC(=O)Nc1nc2ccc(Cl)cc2nc1N.CCCCCC(=O)Cl'] | 3 | Its SMILES notation is CCCCCC(=O)Nc1nc2cc(Cl)ccc2nc1NC(=O)CC. | ChemQA/retro_39148 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C(C(=O)OC)C(Cc1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(OC)cc1', 'CC1CCc2c(Cl)c(F)cc3c(=O)c(C(=O)O)cn1c23.CN1CCNCC1', 'CC(C)(C)S(N)=O.O=C1CCC1', 'COC(=O)c1ccccc1CSc1ccccc1N.O=S(=O)(Cl)c1cc2ccccc2o1'] | 3 | Its SMILES notation is COC(=O)c1ccccc1CSc1ccccc1NS(=O)(=O)c1cc2ccccc2o1. | ChemQA/retro_39149 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccccc1N1CCNCC1.Cc1c(-c2ccccc2)oc2c(C(=O)CBr)cccc2c1=O', 'CCOc1ccc2[nH]c(=O)n(C3CCCC3)c2c1.COC(=O)c1ccc(S(=O)(=O)Cl)c(OC)c1', 'C=O.CNC.COC(=O)c1cccc(-n2cccc2)c1', 'C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC=C)Cc1ccc(OC)cc1OC'] | 2 | Its SMILES notation is COC(=O)c1cccc(-n2cccc2CN(C)C)c1. | ChemQA/retro_39150 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCC(=O)Cl.COc1ccc([N+](=O)[O-])cc1N', 'Ic1cccc2c1oc1c(C3CCCCC3)cccc12.Nc1ccccc1-c1ccccc1', 'COC(=O)c1ccc2c(c1)C[C@@H](NC(=O)OCc1ccccc1)C2', '[N-]=[N+]=NC[C@H]1CN(c2ccc(C3=CCN(Cc4ccccc4)CC3)c(F)c2)C(=O)O1'] | 1 | Its SMILES notation is c1ccc(-c2ccccc2Nc2cccc3c2oc2c(C4CCCCC4)cccc23)cc1. | ChemQA/retro_39151 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C1C2Cc3cc(O)ncc3C21.Cc1cccc(C)c1-c1ccc(F)c(CBr)n1', 'C#Cc1ccc(-c2ccc(Cl)cc2)cn1.CC1(C)CCCC(C)(C)N1CCOc1ccc(I)cc1', 'COc1cc(C)c(Br)c(C)n1.O=C1CCC(=O)N1Br', 'CC[C@H](N)C1CC1.COc1cc(Cl)c(-c2ccnc(OS(=O)(=O)C(F)(F)F)c2[N+](=O)[O-])cc1F'] | 2 | Its SMILES notation is COc1cc(C)c(Br)c(CBr)n1. | ChemQA/retro_39152 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(F)ccc1-2', 'COc1cccc(C2(O)CCCNC2)c1.O=C(Cl)c1ccc(Cl)c([N+](=O)[O-])c1', 'CC(C)(C)CCC1(C(O)c2csc3ccc(F)cc23)CCN(C(=O)OC(C)(C)C)C1', 'COC(CNc1cnccn1)OC.Cc1cc(C)cc(-c2c(OCCC3CCCCN3C(=O)OCC[Si](C)(C)C)c3cc(N=C=O)c(Cl)cc3[nH]c2=O)c1'] | 1 | Its SMILES notation is COc1cccc(C2(O)CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)c1. | ChemQA/retro_39153 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(C)COC2(CCC(O)(CC=O)CC2)OC1.Cc1ccc(C)c([C@H](C)N)c1', 'CC(C)OC(=O)N1CCC(Oc2cccc3c2CCN3c2ccc(I)cc2)CC1.N#C[Cu]', 'CCOC(=O)C(C)c1ccc(C#N)nc1', 'CC1(C)COC(CSCC(=O)O)(c2ccccc2)OC1.O=C1N[C@@H](c2ccccc2)CO1'] | 2 | Its SMILES notation is CC(C(=O)O)c1ccc(C#N)nc1. | ChemQA/retro_39154 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Brc1cccc2c3c([nH]c12)C1CCN(CC1)C3.C=Cc1ccccn1', 'COC(=O)c1ccc(N)c2ccccc12', 'CC(C)(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.COc1ccncc1B(O)O', 'CC(C)(C)OC(=O)N[C@H](C=O)CC1CCCCC1.C[C@H](CBr)COCc1ccccc1'] | 3 | Its SMILES notation is C[C@@H](COCc1ccccc1)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C. | ChemQA/retro_39155 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c12.CN', 'CCOC(=O)C(C)(C)c1cccc(C#Cc2ccc(CC(=O)OC)cc2)c1', 'CC(C)(C)[Si](OCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ncc(-c2cc(N3CCOCC3)cc([N+](=O)[O-])c2)s1)(c1ccccc1)c1ccccc1', 'CNCC=O.CS(=O)(=O)c1nnc(N=C=O)s1'] | 0 | Its SMILES notation is C#Cc1c(NC)c(F)cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c12. | ChemQA/retro_39156 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CC(=O)OC(C)(C)C.Nc1ccc(Br)cn1', 'CC1(C)OB(c2cc(F)c(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2F)OC1(C)C.Cc1c(Br)c2c(N)ncnn2c1CN1CCOCC1', 'COC(=O)c1nc(Cl)c(N)nc1N', 'N#C[Cu].O=C(Cc1ccc2ccccc2c1)Nc1ncn2c(Br)csc12'] | 0 | Its SMILES notation is CC(C)(C)OC(=O)/C=C/c1ccc(N)nc1. | ChemQA/retro_39157 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc(-c2cc(F)cc(F)c2)ccc1B(O)O.O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc2c(Cl)nccc2c1', 'CC(=O)Cl.Cc1[nH]nc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)c1N', 'CCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O', 'C=CCBr.N#Cc1ccc(O)cc1'] | 1 | Its SMILES notation is CC(=O)Nc1c(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)n[nH]c1C. | ChemQA/retro_39158 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C(C)Br.CN(c1ccc(O)cc1)c1nc2ccc(Br)cc2o1', 'CN1CCN(c2nccc3cc4c(cc23)NCC4)CC1.Cc1nc(C)c(C(=O)O)s1', 'CCOC(=O)C1=C(CBr)NC(c2cnccn2)=NC1c1ccc(F)cc1Cl.O=C(O)C1COCCN1', 'C1CSCCN1.Cc1cc([N+](=O)[O-])ccc1F'] | 2 | Its SMILES notation is CCOC(=O)C1=C(CN2CCOCC2C(=O)O)NC(c2cnccn2)=NC1c1ccc(F)cc1Cl. | ChemQA/retro_39159 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cnc(Cl)c2c(COc3cc(-c4nnc(-c5ccc(Cl)cc5)o4)ccc3C)csc12.N', 'CCCCCC(O)CCCC(CCCCCCC(=O)O)C(O)CCOC', 'COC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)CC2CCN(Cc3ccccc3)CC2)C1', 'CCOc1ccc(F)c(B(O)O)c1.CCc1cnc([C@H]2CC[C@@]3(CCN(C)C3=O)N2)cc1Br'] | 1 | Its SMILES notation is CCCCCC(O)CCCC(CCCCCCC(=O)O)C(O)CCO. | ChemQA/retro_39160 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1cc(F)ccc1Br.Cc1cc(B(O)O)ccc1F', 'COC[C@H](C)Oc1cc(Br)cc(OC)c1', 'C#C[Si](C)(C)C.O=C(NCCCO)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F', 'CCOC(=O)C(C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1'] | 0 | Its SMILES notation is COC(=O)c1cc(F)ccc1-c1ccc(F)c(C)c1. | ChemQA/retro_39161 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)Cc1ccncc1[N+](=O)[O-]', 'ClCc1cccnc1.Nc1ncc(Br)cc1O', 'COC(=O)C(c1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1', 'COc1ccc2c(c1)CCN(Cc1ccc(OCC3CC3)cc1)C2=O'] | 0 | Its SMILES notation is CCOC(=O)Cc1ccncc1N. | ChemQA/retro_39162 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1.[Mg+]c1ccccc1', 'COc1cccc(N)c1.Clc1ccc(Nc2ncc(Br)cn2)cc1Cl', 'CCOC(=O)c1ncn2c(-c3cccc(C(F)(F)F)c3)ccnc12', 'CN1CCC(COc2cccc(C#N)c2)CC1'] | 2 | Its SMILES notation is O=C(O)c1ncn2c(-c3cccc(C(F)(F)F)c3)ccnc12. | ChemQA/retro_39163 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc(Nc4ncc(Br)c(NCc5ccc(C(F)(F)F)cc5)n4)cc23)CC1', 'Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(C=O)c1', 'COC(=O)c1cccc(NC(=O)NCc2nc3ccccn3c2C#Cc2cccc(C(F)(F)F)c2)c1', 'CCOC(=O)CN1CCC(N2CCN(C(=O)[C@@H](Cc3cc(C)c(OCc4ccccc4)c(C)c3)OC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1'] | 0 | Its SMILES notation is FC(F)(F)c1ccc(CNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)cc1. | ChemQA/retro_39164 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCC(=O)Cl.Sc1ccc2ccccc2n1', 'COC(=O)CN(Cc1ccccc1C)C(C(=O)OC(C)(C)C)[C@@H]1CCCN1', 'COC1CCN([C@@H]2CCC[C@H]2N)CC1.COc1cc(C(=O)Cl)ccc1Cl', 'CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(O)C(F)(F)F'] | 2 | Its SMILES notation is COc1cc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(OC)CC2)ccc1Cl. | ChemQA/retro_39165 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CNOC.Cc1cccc(C(=O)O)c1[N+](=O)[O-]', 'C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ncccn2)CC1', 'COC(=O)[C@H](Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)[C@@H]1Cc2cc3c(cc2CN1C(=O)c1nc(C)oc1C)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3', 'COc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cccc(Br)c1.OB(O)c1ccc(Cl)cc1'] | 2 | Its SMILES notation is Cc1nc(C(=O)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc2ccc(-c3ccnc(C)c3C)cc2)C(=O)O)OC[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)O4)c(C)o1. | ChemQA/retro_39166 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)CS.COc1cc(Cl)c(C2CC2)cc1I', 'CN1CCC(O)c2ccoc2C1.Fc1ccc2ccccc2c1', 'NCc1ccc(Br)cc1F.O=C(O)c1cc2n(n1)CCCC2', 'CN(C)S(=O)(=O)Oc1ccccc1S(=O)(=O)N=C=O.Cc1cc(C)nc(N)n1'] | 1 | Its SMILES notation is CN1CCC(Oc2ccc3ccccc3c2)c2ccoc2C1. | ChemQA/retro_39167 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccccc1-c1nc2c(C)cccc2cc1CCl.Nc1ncnc2[nH]nc(I)c12', 'COCCN.COc1cc2nccc(Oc3ccc4[nH]ccc4c3)c2cc1C(=O)O', 'CC(C)(CC(=O)C(F)(F)F)c1cccc(C2(C)OCCO2)c1.C[S+](C)(C)=O', 'Nc1nc(-c2sccc2Cl)cs1.O=S(=O)(Cl)c1c(Cl)cc(Cl)cc1Cl'] | 0 | Its SMILES notation is Cc1ccccc1-c1nc2c(C)cccc2cc1Cn1nc(I)c2c(N)ncnc21. | ChemQA/retro_39168 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['BrCC1CC1.O=Cc1ccc(F)c(O)c1', 'COC(=O)C1(NC(=O)c2cc3ccccc3cc2NC(=O)Nc2c(Cl)cccc2Cl)CCOCC1', 'COC(=O)c1cccc(O)c1.N#Cc1ccc(CBr)cc1', 'C=O.COc1ccc2c(c1OC)CC1CNCC21'] | 1 | Its SMILES notation is O=C(Nc1cc2ccccc2cc1C(=O)NC1(C(=O)O)CCOCC1)Nc1c(Cl)cccc1Cl. | ChemQA/retro_39169 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCNCC1.N#Cc1ccc(CBr)cc1', 'COc1cc(OC)nc(C2(O)OC(=O)c3c(-c4cccs4)ccnc32)n1', 'BrCc1ccccc1.C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCO)[C@H]3[C@@H]1C=CC2=O', 'C=CCBr.CC(C)c1nc(COCc2ccccc2)[nH]c1Sc1cccc(Cl)c1'] | 0 | Its SMILES notation is CN1CCN(Cc2ccc(C#N)cc2)CC1. | ChemQA/retro_39170 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C1Oc2cc(Cl)c(S(=O)(=O)c3ccc(Cl)cc3)cc2O1', 'Cc1ccc2c(N3CCN(CC(C)c4cccc([N+](=O)[O-])c4)CC3)cccc2n1', 'COc1ccc(N)cc1O.Cc1cc(C(=O)Nc2ccc(C(=O)c3ccc4c(c3)NC(=O)C4=CO)cc2)n(C)n1', 'CC(Oc1cccc(Cl)c1)C(=O)O.NCCO[N+](=O)[O-]'] | 3 | Its SMILES notation is CC(Oc1cccc(Cl)c1)C(=O)NCCO[N+](=O)[O-]. | ChemQA/retro_39171 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1ccc(Cl)cc1.NCCN1CCOCC1', 'CCN(CC)CCOc1cccc(N(C)C)c1C=O.COc1cc2nc(NCCN(C)C)nc(NC3CCNCC3)c2cc1OC', 'COC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1', 'CCOC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1.Clc1ncnc2[nH]ccc12'] | 1 | Its SMILES notation is CCN(CC)CCOc1cccc(N(C)C)c1CN1CCC(Nc2nc(NCCN(C)C)nc3cc(OC)c(OC)cc23)CC1. | ChemQA/retro_39172 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(Cl)(Cl)C(=O)n1nnc2ccccc21.COc1ccc(CC(N)=O)cc1OC', 'COC(=O)Cc1ccccc1CBr.Cc1ccccc1O', 'CN(C(=O)Cl)c1ccccc1.OCCc1ccc(O)cc1', 'CCOC(=O)Cc1ccc(O)c(SC(F)(F)F)c1.ClCc1ccc2ccccc2n1'] | 1 | Its SMILES notation is COC(=O)Cc1ccccc1COc1ccccc1C. | ChemQA/retro_39173 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cncc(N2CCc3cc(Cl)ccc3C2=O)c1', 'COCCCBr.COCCCOc1ccc([C@H]2[C@H](O)CN(C(=O)OCc3ccccc3)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1', 'CCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1', 'CCOC(=O)CC(C)n1cnnc1-c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1'] | 3 | Its SMILES notation is CC(CCO)n1cnnc1-c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1. | ChemQA/retro_39174 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(CN)C(=O)O.COC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O', 'C#Cc1cc(OC)c2c(c1)C(C)(C)CCC2N(C)C1CC1.COC(=O)Cc1ccc(I)cc1', 'COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)cc1)NC(=O)OC(C)(C)C', 'CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.O=C(O)CCCN1CCSCC1'] | 3 | Its SMILES notation is CCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCSCC2)c2c(c1)OC(C)(C)c1ccncc1-2. | ChemQA/retro_39175 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)c1nnc(C(N)=O)o1', 'CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3-c3ccc(F)cc3)CC2)c(F)c1', 'CCOc1ccc(S(=O)(=O)N[C@@H](CC)c2ccccc2)cc1.N#Cc1ccc(CBr)cc1', 'COC(=O)c1cc(S(=O)(=O)c2cc(N)c(N)c(Br)c2)c(SC)s1.O=CO'] | 0 | Its SMILES notation is CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)c1nnc(C(N)=O)o1. | ChemQA/retro_39176 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Clc1ccccc1-c1ccccc1.O=C(Cl)CCl', 'O=S(=O)(Nc1ccc2c(OCc3ccc(Br)cc3)cccc2c1)C(F)(F)F.OB(O)c1ccc(F)cc1', 'CCOC(=O)c1oc2ccc(N)cc2c1OC.COc1cccc([C@H]2O[C@H](CC(=O)O)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc32)c1OC', 'CCOC(=O)/C=C/c1cc(O)nn1Cc1ccc(Cl)cc1Cl.COCCO'] | 1 | Its SMILES notation is O=S(=O)(Nc1ccc2c(OCc3ccc(-c4ccc(F)cc4)cc3)cccc2c1)C(F)(F)F. | ChemQA/retro_39177 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCn2c(CC3(n4ccc5cccnc54)CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O', 'CI.Oc1ccccc1-c1nn[nH]n1', 'CN1CCC(N)CC1.Nc1nc(C(=O)O)cs1', 'CSc1ncc(C=O)c(NC2CCCC2)n1.NCc1ccccc1'] | 0 | Its SMILES notation is CN1CCn2c(CC3(n4ccc5cccnc54)CCCC3)nc(=O)c(O)c2C1=O. | ChemQA/retro_39178 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=[N+]([O-])c1ccc(C2CC2)cc1', 'CC(O)c1nc2cc(C(F)(F)F)ccc2s1.CS(=O)(=O)Cl', 'CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3[C@H](O)[C@@H](Cl)C4=CC(=O)OC(O)[C@]4(C)[C@H]3CC[C@@]21C', 'Cc1ccc(C[C@@H]2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C.ClCc1ccccn1'] | 2 | Its SMILES notation is CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3[C@H](O)[C@@H](Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C. | ChemQA/retro_39179 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)N1CC2CCC1CC2Cc1ccc(Cl)c(Cl)c1', 'COC(=O)c1cncc(Br)c1', 'CONC1c2ccccc2Oc2ccccc21.O=C(Cl)Cl', 'CC(=O)O.CC1(C)c2cc(C#N)ccc2OC1Cl'] | 2 | Its SMILES notation is CON(C(=O)Cl)C1c2ccccc2Oc2ccccc21. | ChemQA/retro_39180 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(Cl)C(=O)Cl.Fc1ccccc1', 'C[C@]1(O)C(=O)C[C@H](c2ccncc2[N+](=O)[O-])O[C@@H]1C1CC1', 'Cc1cccc2c(=O)c3ccccc3oc12.O=C1CCC(=O)N1Br', 'CCOC(=O)CSc1cnc(NC(=O)N(CC2CCCC2)c2cccc(Cl)c2F)s1'] | 0 | Its SMILES notation is CC(Cl)C(=O)c1ccc(F)cc1. | ChemQA/retro_39181 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O.O=C(O)c1cccc(F)c1F', 'CCOC(=O)C1CCNCC1.COc1ccccc1B(O)O', 'CC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(N2CCOC(C)(C)C2)nc2cc(F)cc(F)c2c1Cl', 'COc1cccc2c1CC[C@H]1[C@@H]2CCN1C(=O)CC1CCCC1'] | 3 | Its SMILES notation is COc1cccc2c1CC[C@H]1[C@@H]2CCN1CCC1CCCC1. | ChemQA/retro_39182 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1cnc2c(oc3ccccc32)c1Cl.Nc1ccc(Oc2ccccc2)cc1', 'CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)C(C)(C)C)C1=O.Nc1cc(N2CCNCC2)c2ccc(Cl)cc2n1', 'CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1ccc(OC)c(OC)c1', 'NC(=S)Nc1ccc2c(c1)CCC2.O=C(CBr)c1ccncc1'] | 1 | Its SMILES notation is CC(C)(C)C(=O)N1CCCC[C@H](NC(=O)N2CCN(c3cc(N)nc4cc(Cl)ccc34)CC2)C1=O. | ChemQA/retro_39183 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=c1c2ccccc2ccc2cc(F)ccc12', 'C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1.N#Cc1ccc(C(=O)O)cn1', 'Brc1cccc2c1CNC2.CC1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23', 'C=CCN.Fc1cnc(Cl)nc1Nc1ccc2c(c1)OCCO2'] | 3 | Its SMILES notation is C=CCNc1ncc(F)c(Nc2ccc3c(c2)OCCO3)n1. | ChemQA/retro_39184 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCC(C(=O)c2cccc(N)c2)CC1.O=C(Cl)c1ccc(F)c(F)c1', 'Cc1ncc2n1C(=O)N(C1CCNCC1)C2.O=C(O)[C@H](O)CSc1ccc2cc(Cl)ccc2c1', 'CN(C)c1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(I)cc2n1.O=Cc1ccc(B(O)O)cc1', 'CC1(C)CCC(=O)Nc2ccc(N)cc21.Cn1ccnc1-c1ccccc1Nc1nc(Cl)ncc1Cl'] | 3 | Its SMILES notation is Cn1ccnc1-c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)(C)CCC(=O)N3)ncc1Cl. | ChemQA/retro_39185 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1cc(F)c(O)c([N+](=O)[O-])c1', 'CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCCC1Cc1coc2ccc(OS(=O)(=O)C(F)(F)F)cc12)C(C)C.OB(O)c1cccnc1', 'CC(C)OC(=O)C1CCCN1S(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1.NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12', 'Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.O=C(Cl)C1CC1'] | 0 | Its SMILES notation is Cc1cc(N)c(O)c(F)c1. | ChemQA/retro_39186 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)COc1ccc(F)c2nc(OC(F)F)c(Cc3ccc(Cl)cc3)c(C)c12', 'CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(Cl)n3)cccc2s1.CC(O)c1ccc(F)cc1', 'CC(=O)[O-].CCCn1nc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3ccccc3c2c1CCCCCl', 'CCOC(=O)N1CCC(NS(=O)(=O)c2cccc3c(CN4C(=O)c5ccccc5C4=O)cccc23)CC1'] | 1 | Its SMILES notation is CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(OC(C)c4ccc(F)cc4)n3)cccc2s1. | ChemQA/retro_39187 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(O)[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1', 'C#C[Si](C)(C)C.Ic1ccccc1I', 'COC(=O)NCCOC(c1cccc(Cl)c1)c1cccc(C(=O)OC)c1', 'CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1.OCc1ccccc1'] | 0 | Its SMILES notation is O=C(O)[C@H]1CN[C@H](C(=O)O)C1. | ChemQA/retro_39188 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)N1CC=C(c2c(CO)nc3c(N4CCOCC4)ccnn23)CC1', 'COC(=O)c1ccc(S(=O)(=O)Cl)cc1.Nc1ccc(C(F)(F)F)cc1Cl', 'CCCC(=O)Nc1cccc(C2CCN(CCCN)CC2)c1.O=C(O)C(c1ccc(F)cc1)c1ccc(F)cc1', 'C[Si](C)(C)C#Cc1ccccc1Cl'] | 0 | Its SMILES notation is CC(C)(C)OC(=O)N1CCC(c2c(CO)nc3c(N4CCOCC4)ccnn23)CC1. | ChemQA/retro_39189 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCO)c1=O.CN', 'CC1CC(c2c[nH]c3c(C(N)=O)cc(Br)cc23)CC(C)S1(=O)=O.OB(O)c1ccsc1', 'CCO.Cc1cc(Cl)ccc1Cn1nc(C(=O)O)c2ccccc21', 'CCn1ncc2c(NCc3ccccc3)c(C3=NOC4(CCC4)C3)cnc21'] | 1 | Its SMILES notation is CC1CC(c2c[nH]c3c(C(N)=O)cc(-c4ccsc4)cc23)CC(C)S1(=O)=O. | ChemQA/retro_39190 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)CC#CCCl.NCCS', 'O=C1CCC2=C(Cc3ccccc32)N1', 'CC(C)I.CCOC(=O)c1nc2ccsc2nc1N', 'O=[N+]([O-])c1cc(Cc2ccccc2)cc(Br)c1O'] | 2 | Its SMILES notation is CCOC(=O)c1nc2ccsc2nc1NC(C)C. | ChemQA/retro_39191 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=c1[nH]cnc2[nH]c(-c3ccnc(/C=C/c4ccc(CN5CCOCC5)c(F)c4)c3)cc12', 'Cn1ncc(Cl)c1-c1ncc(C(=O)O)o1.N[C@@H](Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O', 'CN(C)[C@H]1CC[C@H](CN)CC1.O=C(c1cnc2ccc(Br)cc2c1Cl)C1CC1', 'COC(=O)NCCCc1cc([C@@H](C)N(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](COS(C)(=O)=O)O2)C2CC2)cc(OC)n1.O=C1NC(=O)c2ccccc21'] | 2 | Its SMILES notation is CN(C)[C@H]1CC[C@H](CNc2c(C(=O)C3CC3)cnc3ccc(Br)cc23)CC1. | ChemQA/retro_39192 |