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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCc1nnc(SCC(=O)OC)n1Cc1ccc([N+](=O)[O-])cc1', 'C[C@](C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)N1CCCCC1.O=C(CBr)Nc1ccon1', 'CC1(C)CCC=C1c1cnc(N2CCOCC2)cc1N', 'CC(C(=O)O)c1ccc(F)c(C#N)c1.CC1CCN(c2nc(C(F)(F)F)ccc2CN)CC1'] | 1 | Its SMILES notation is C[C@](C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccon3)CCC1CC2)(c1ccccc1)N1CCCCC1. | ChemQA/retro_39493 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)OCc1cccc(-c2[nH]c3cc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc4c3c2C=NNC4=O)c1', 'CC(C)(C)OC(=O)CN.O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21', 'CC(=O)c1cccnc1', 'O=Cc1cc(Br)ccc1F'] | 3 | Its SMILES notation is OCc1cc(Br)ccc1F. | ChemQA/retro_39494 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1ncccc1Br.OB(O)c1ccc(O)cc1', 'C[C@@H]1CN(c2ccc3ncn([C@H](C)c4ccc(Cl)cc4Cl)c3c2)CCN1C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C', 'CCCS(=O)(=O)Cl.Nc1ccc(Cl)c(C(=O)O)c1Cl', 'CC(C)(C)N1CCNCC1=O.CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=O)n(C)c2n1'] | 0 | Its SMILES notation is Nc1ncccc1-c1ccc(O)cc1. | ChemQA/retro_39495 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)Cl.COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(CCC(N)=O)cc2)cc1', 'Clc1ncc(Br)cn1.OB(O)c1ccccc1-c1ccccc1', 'CCOC(=O)C1CNc2ccccc2O1.CI', 'COc1ccc(-c2cccs2)cc1'] | 0 | Its SMILES notation is CCOC(=O)NC(=O)CCc1ccc(Oc2ccc(C(=Cc3cc(OC)cc(OC)c3)C(=O)OC)cc2)cc1. | ChemQA/retro_39496 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#Cc1ccc(Nc2c(-c3nnc(NC[C@@H](O)CO)o3)ccc(F)c2F)c(F)c1', 'CC1CC2CCC=C3C=C(Cl)NC(=O)C1=C32', 'CC(C)(C)[S@](N)=O.CC[Si](CC)(CC)c1cc(Br)nc(C(=O)C(F)F)c1F', 'Cc1ccc2cnc(Cl)nc2c1Br.O=C1CCC(=O)N1Br'] | 1 | Its SMILES notation is CC1CC2CCC=C3C=C(Cl)NCC1=C32. | ChemQA/retro_39497 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(Cl)c1ccccc1F.O=C1NS(=O)(=O)c2ccccc21', 'CCOC(=O)CN(CCNN1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1', 'COc1ccc(C(=NN)c2sccc2Br)cc1', 'Clc1ncccn1.Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1'] | 2 | Its SMILES notation is COc1ccc(-c2n[nH]c3ccsc23)cc1. | ChemQA/retro_39498 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CB1OC(C)(C)C(C)(C)O1.COC(=O)COc1nc(SC)nc(N)c1I', 'CCOC(=O)CCCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(CC)c1=O', 'CC(C)(O)C1CCNCC1.COc1cc2nccc(-c3cnc(F)c(C)c3)c2cc1OC', 'CN(C)P(=O)(N(C)C)N(C)C.Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1Br'] | 1 | Its SMILES notation is CCn1c(-c2ccccc2)c(-c2ccccc2)n(CCCCCCC(=O)O)c1=O. | ChemQA/retro_39499 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)[C@H]1CN(c2cc(F)c(N3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1.N', 'COC(=O)c1ccc2c(=O)[nH]c(CC(C)C)nc2c1', 'COC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1.Nc1ccc(B(O)O)cc1', 'CO.Cc1cc(CCCC2CN(Cc3ccc(C(C)(C)C)cc3)C(=O)N2C)ccc1OC(C)(C)C(=O)O'] | 1 | Its SMILES notation is CC(C)Cc1nc2cc(C(=O)O)ccc2c(=O)[nH]1. | ChemQA/retro_39500 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cccc(F)c1C.O=C1CCC(=O)N1Br', 'C#CC(C)(O)CCCCCl.Cn1c(=O)[nH]c(=O)c2[nH]cnc21', 'CC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c4c(CC#N)cccc4nn23)CC1', 'CC(C)=Cc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1'] | 2 | Its SMILES notation is N#CCc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12. | ChemQA/retro_39501 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CS(=O)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3F)n2)c1.OCc1ccc(F)c(F)c1F', 'CCOC(=O)c1cccc(Nc2c(C(N)=O)cnc3cc(-c4ccnc(C)c4)ccc23)c1', 'CCOC(=O)c1cc2ccccc2[nH]1.Cc1ccc(Br)cc1', 'N#Cc1ccc(NN)cc1.O=C1CCC(OC(=O)c2ccccc2)CC1'] | 0 | Its SMILES notation is CS(=O)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3ccc(F)c(F)c3F)n2)c1. | ChemQA/retro_39502 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(Oc1c(Cl)cc(N)c(F)c1Cl)C(F)(F)C(F)(F)F.O=C=NC(=O)c1c(F)cccc1F', 'CN(C)CCN.Cc1cnc2[nH]c3c(C)c(C(=O)O)cc(Cl)c3c2c1', 'O=C1Cc2cc([N+](=O)[O-])ccc2Sc2ccccc21', 'CC(C)(C)COc1c(/C=C/c2nc3sccn3c2C(=O)O)cccc1OC(F)F.N#Cc1ccc(N)nc1'] | 2 | Its SMILES notation is Nc1ccc2c(c1)CC(=O)c1ccccc1S2. | ChemQA/retro_39503 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1c(OC)ccc2nc(Cl)cnc12.Nc1ccccc1', 'CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)ccc3ncccc32)CC1', 'COc1cccc(B(O)O)c1.O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Br)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O', 'CCOC(=O)c1cnc(-c2cc(F)cc(F)c2)cc1Oc1ccccc1Cl'] | 2 | Its SMILES notation is COc1cccc(-c2cccc(CN(C(=O)c3cc(C(=O)O)c(C(=O)O)cc3C(=O)O)[C@H]3CCCc4ccccc43)c2)c1. | ChemQA/retro_39504 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1c(N2CC3CN(Cc4ccccc4)CC3C2)nn2c(-c3ccnc(N)c3)c(-c3ccc(F)cc3)nc2c1C', 'CCN=C=O.COC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)c(O)c1)NC(=O)OC(C)(C)C', 'CSc1nc2cc(N)ccc2s1.O=C(OC(=O)C(F)(F)F)C(F)(F)F', 'CC(C)CC(C(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1'] | 3 | Its SMILES notation is CC(C)C[C@@H](C(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1. | ChemQA/retro_39505 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCNC1CCCCC1.O=C(Cl)CCl', 'COc1ccccc1N1CCNCC1.O=c1cnn(CCCCCl)c(=O)n1CCF', 'CC1(C)CCC(C)(C)C1OCC(C)(C)[N+](=O)[O-]', 'CCOC(=O)C=Cc1c(OC)c(=O)[nH]c2cc(Cl)ccc2c1=O'] | 3 | Its SMILES notation is CCOC(=O)/C=C/c1c(O)c(=O)[nH]c2cc(Cl)ccc2c1=O. | ChemQA/retro_39506 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)c1ccc2c(c1)C(=C(NC1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1)C(=O)N2C(C)=O', 'CC(C)(C)OC(=O)NC1(CF)CCN([C@H](c2ccc(NN)nc2)C(F)(F)F)C1.COc1cccc2ccc(C=O)nc12', 'CS(=O)(=O)CCO.Cc1c(Nc2ccc(I)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1', 'COc1cc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)[C@@H]2SCCN2C(=O)OC(C)(C)C)ccc1OC(F)F'] | 2 | Its SMILES notation is Cc1c(Nc2ccc(OCCS(C)(=O)=O)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1. | ChemQA/retro_39507 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1ccccc1.O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cc1ccccc1', 'CCN(CC)C(=O)c1cccc(OCOC)c1.CN(C)C=O', 'CC1CNCCN1.O=C(c1ccccc1)c1ccc(F)cc1', 'BrCc1ccccc1.COC(=O)c1cc([N+](=O)[O-])c(O)cc1C'] | 2 | Its SMILES notation is CC1CN(c2ccc(C(=O)c3ccccc3)cc2)CCN1. | ChemQA/retro_39508 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)c1cccc(C(=O)O)c1N.N=CN', 'COC(=O)Cc1ccc(O)cc1.Cc1ncccc1C(=O)CBr', 'Clc1ncnc2c1c(-c1ccco1)nn2Cc1ccccc1', 'C[C@@H]1CN[C@@H](c2ccc(F)cc2)CO1.O=C1COc2ccc(Br)nc2N1'] | 0 | Its SMILES notation is CC(C)(C)c1cccc2c(=O)[nH]cnc12. | ChemQA/retro_39509 |
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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)c1csc(NC(=O)OC(C)(C)C)n1', 'CC(C)Oc1cncc(Br)c1.[NH4+]', 'COC(=O)C(C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2.NC(=O)c1cn2c(n1)-c1cc(Br)c(F)cc1OCC2', 'COc1c([N+](=O)[O-])cc(C(C)(C)C)cc1C(C)(C)C#N'] | 2 | Its SMILES notation is CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(N)=O. | ChemQA/retro_39510 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(C)C(C=O)C1/C=C(\\Cl)C(F)(F)F.N#CC(N)c1cccc(Oc2ccccc2)c1', 'COc1ccccc1CC(=O)O.N#CCC1CC2CNCC2C(O)(c2ccccc2)C1', 'N#Cc1cnc2cnc(F)cc2c1Cl.Nc1cccc(Oc2ccccc2)c1', 'Cc1sc(C(=O)OC(C)C)cc1C(N)=S.O=C(CBr)c1ccccc1'] | 2 | Its SMILES notation is N#Cc1cnc2cnc(F)cc2c1Nc1cccc(Oc2ccccc2)c1. | ChemQA/retro_39511 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(O)CCC(O)c1ccc(-c2ccc(F)cc2)cc1', 'CC(=O)c1cccc(Br)n1.CC(C)c1cccc(C(C)C)c1N', 'CC(=O)SCC(C)C(=O)O.CC(C)(C)OC(=O)CNCC1CCCO1', 'CCOC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3cccc(OC(F)(F)F)c3)cc12'] | 1 | Its SMILES notation is CC(=Nc1c(C(C)C)cccc1C(C)C)c1cccc(Br)n1. | ChemQA/retro_39512 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.COc1ccncc1B(O)O', 'Cc1csc2ncnc(CCN)c12.OB(O)c1ccc(Cl)cc1', 'CC(C)(C)OC(=O)NC(Cc1cccc(CC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1', 'COC(=O)c1ccc(Cl)cc1I.Nc1ccc(Br)cc1[N+](=O)[O-]'] | 1 | Its SMILES notation is Cc1csc2ncnc(CCNc3ccc(Cl)cc3)c12. | ChemQA/retro_39513 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CCN.Cc1c(C(=O)O)ccc(S(C)(=O)=O)c1F', 'C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N3CCC(=O)CC3)c2)C[C@H]1C.CCOC(=O)CP(=O)(OCC)OCC', 'CCOC(=O)c1nc(CBr)cs1.OB(O)c1cc(Cl)ccc1OCc1ccccc1', 'CCCC[Sn](C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)OC)(CCCC)CCCC.O=C(Cl)c1ccccc1'] | 1 | Its SMILES notation is C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N3CCC(=CC(=O)OCC)CC3)c2)C[C@H]1C. | ChemQA/retro_39514 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NC(=O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1', 'O=C(c1ccc(F)cc1)N1CCC[C@H](O)C1.O=C=Nc1cccc(F)c1', 'CCCN(CCC)C(=O)c1cc(C(=O)O)cc(-c2noc(C)n2)c1.CCc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1', 'CI.Cc1cc(OC2CCS(=O)(=O)NC2)cc(C)c1Br'] | 2 | Its SMILES notation is CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(CC)c2)cc(-c2noc(C)n2)c1. | ChemQA/retro_39515 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCC(=O)c1ccc(F)c(Br)c1.O=C(c1ccc(O)cc1)c1ccc(O)cc1', 'C=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1.O=CCc1ccccc1', 'CN(C)C1CCN(c2ccc(N)cc2)C1.O=C(O)c1ccc(-c2ccc(F)cc2F)cc1', 'CC(=O)N1c2ccccc2C(=O)CC1C.Nc1ccc2ocnc2c1'] | 3 | Its SMILES notation is CC(=O)N1c2ccccc2C(=Nc2ccc3ocnc3c2)CC1C. | ChemQA/retro_39516 |
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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(Nc2ccc(C(F)(F)F)cc2)CC1.O=C(Br)CBr', 'COC(=O)c1c(O)c(OC)c(OC)n(Cc2ccc(OC)cc2)c1=O', 'CC(C)(C)N.O=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1', 'NNc1cccc(C(F)(F)F)n1.O=C(Cl)c1ccc(F)cc1'] | 1 | Its SMILES notation is COc1ccc(Cn2c(OC)c(OC)c(O)c(C(=O)O)c2=O)cc1. | ChemQA/retro_39517 |
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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)(c2cccc(OCc3ccccc3)c2)CCO1.CI', 'C=CC#N.COc1ccc(Br)cc1OC', 'COC(=O)[C@@H](O)Cc1ccccc1.COc1c2ccccc2c(-c2cc(Br)c(O)c(Br)c2)c2c1sc1ccccc12', 'Fc1ccc2c(C3CCNCC3)noc2c1.O=C1NCCN1CCCl'] | 2 | Its SMILES notation is COC(=O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2c3ccccc3c(OC)c3sc4ccccc4c23)cc1Br. | ChemQA/retro_39518 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NCCSc1ccc(CCC(=O)O)cc1.O=S(=O)(Cl)c1ccc(Cl)cc1', 'COc1cc(C=O)ccc1OCCN1CCOCC1.c1ccc([P+](Cc2n[nH]c3ccccc23)(c2ccccc2)c2ccccc2)cc1', 'CN(C)C=O.Clc1cnc2c(Cl)nccc2n1', 'O=C(C=Cc1ccc(Cl)cc1)C1(Cl)CC1'] | 0 | Its SMILES notation is O=C(O)CCc1ccc(SCCNS(=O)(=O)c2ccc(Cl)cc2)cc1. | ChemQA/retro_39519 |
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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(C)=O)C(C)C.Nc1ccccc1', '[N-]=[N+]=NCCCC1CCN(C=O)CC1', 'CC[Si](C#CCCO)(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1', 'COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)OC(=O)CNC(=O)OC(C)(C)C)n(-c5ccccc5)c4=O)nc3)ccnc2c1'] | 3 | Its SMILES notation is COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)OC(=O)CN)n(-c5ccccc5)c4=O)nc3)ccnc2c1. | ChemQA/retro_39520 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COCC(N)C(=O)OC.C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O', 'CCN(c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OC)c1C)C1CCOCC1.CN1CCCN(c2ccc(I)cn2)CC1', 'Clc1ccc2c(I)nn(C3CCCCO3)c2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1', 'COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1N.Fc1ccc(Br)cc1F'] | 0 | Its SMILES notation is COCC(NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)C(=O)OC. | ChemQA/retro_39521 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CC(=O)OCC.O=Cc1ccccc1', 'CC(C)S(=O)(=O)NCC(C)(O)c1ccc(N)cc1.O=C(Cl)c1ccccc1', 'Cc1ccc(S(=O)(=O)Cl)cc1.N[C@H]1CC[C@H](CCN2CCCCC2c2coc3cccc-3c2)CC1', 'CCOC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)on1'] | 1 | Its SMILES notation is CC(C)S(=O)(=O)NCC(C)(O)c1ccc(NC(=O)c2ccccc2)cc1. | ChemQA/retro_39522 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cnn(C)c(=O)c1-c1nn(-c2ccc(C(F)(F)F)cc2)cc1C', 'CC(=O)OCC(=O)[C@@]12OCO[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(N)CN', 'NCc1cccc(Cl)c1.Oc1nc(Cl)nc2nc[nH]c12'] | 2 | Its SMILES notation is C[C@H](N)CNC(=O)OC(C)(C)C. | ChemQA/retro_39523 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NC(=O)CCl.c1ccc2c(c1)NC1CCCC21', 'COCCO.Cc1ccc(S(=O)(=O)Cl)cc1', 'COC(=O)CCCCc1ccc2cncn2c1', 'CI.CN(C)CC(O)COc1ccc(Br)cc1'] | 3 | Its SMILES notation is COC(COc1ccc(Br)cc1)CN(C)C. | ChemQA/retro_39524 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CCN(CC=C)C(=O)Cl.CCC(C)S(=O)c1nc[nH]n1', 'CN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.N#Cc1ccc(-c2cnc3cnc(Br)cn23)cc1', 'Cc1c(Cl)cc(C(C)C)c2c1CC(CN=[N+]=[N-])O2', 'CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1.O=C(O)c1cc(F)ccc1S'] | 0 | Its SMILES notation is C=CCN(CC=C)C(=O)n1cnc(S(=O)C(C)CC)n1. | ChemQA/retro_39525 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(C)OC(Cc1ccccc1)C1CCC(=O)CC1.CNC.[C-]#N', 'Cc1nc2c(nc1N(C)C(C)C)OCCN(C(=O)OC(C)(C)C)C2', 'COC(=O)c1ccc(Cl)cc1N(C)S(C)(=O)=O', 'O=Cc1c(-c2ccccc2)[nH]c2ccccc12'] | 3 | Its SMILES notation is OCc1c(-c2ccccc2)[nH]c2ccccc12. | ChemQA/retro_39526 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)N(NC(=O)c1ccccc1)C(=O)CCc1ccccc1Br.Cc1cccc(B(O)O)c1C', 'Cn1cnnc1SCC(=O)C1(c2ccc(Cl)cc2)CCC1.O=C(OO)c1cccc(Cl)c1', 'Nc1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1.O=C(Cl)c1cccnc1Cl', 'CCCCCCCCCCCCCCCCBr.CCOC(=O)c1ccc(N)c(F)c1'] | 2 | Its SMILES notation is O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c1cccc(NC(=O)c2cccnc2Cl)c1. | ChemQA/retro_39527 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1nccc2nc(-c3ccc(C(C)(C)N=[N+]=[N-])cc3)c(-c3cccs3)cc12', 'CC(C)(C)OC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.Nc1ncnn2c(Br)ccc12', 'CC(CSC(F)(F)F)C(=O)O.CNc1cn(-c2cccnc2)nc1Cl', 'Cc1c(C)c(NC(=O)CC(C)(C)C)c2c(c1C)C(O)(c1ccc(C(C)C)cc1)C(C)(C)O2'] | 0 | Its SMILES notation is COc1nccc2nc(-c3ccc(C(C)(C)N)cc3)c(-c3cccs3)cc12. | ChemQA/retro_39528 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Brc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1.OO', 'COC(=O)c1ccc(Br)cc1.COc1c(N)ccc2ccccc12', 'CCOc1ccsc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)Cl.Cc1noc(C)c1C(=O)N1CCNCC1', 'CC(C)C(=O)NC1CCC(=O)CC1.NNc1ccc(Br)cc1'] | 0 | Its SMILES notation is OC1CN(Cc2ccccc2)CCC1c1ccc(Br)cc1. | ChemQA/retro_39529 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)O.Nc1cc(O)c2cc(Br)ccc2n1', 'C=CCN1CCNCC1.CC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ncn2)cc1', 'CC(C)c1onc(CCc2c(Cl)cccc2Cl)c1CO.COC(=O)c1ccc2ccc(-c3ccc(O)cc3)cc2c1', 'CC(C)(C)[Si](C)(C)OC1CC2CC(=O)CC1N2Cc1ccccc1.CCOP(=O)(CC#N)OCC'] | 3 | Its SMILES notation is CC(C)(C)[Si](C)(C)OC1CC2C/C(=C\C#N)CC1N2Cc1ccccc1. | ChemQA/retro_39530 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)N1CCn2c(Cc3ccc(Cl)cc3Br)nc(=O)c(OCc3ccccc3)c2C1=O.OB(O)c1cccc(F)c1', 'CC1(C(=O)O)COC1.N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1', 'CC(=O)CCl.CC(C)(C)OC(=O)Nc1ccc(Cl)c(O)c1', 'NCCc1ccc(F)cc1.O=C(Cl)OCc1ccccc1'] | 1 | Its SMILES notation is CC1(C(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)COC1. | ChemQA/retro_39531 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(COS(C)(=O)=O)NC(=O)OC(C)(C)C.Oc1ccccc1', 'CC(C)(C)OC(=O)N(CCSCCC=O)CCc1cccc(Cl)c1Cl.NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12', 'CC1(C)CCC=C1c1cc(C(=O)O)ccc1-c1cc(O)ccc1F.CO', 'CCOC(=O)[C@H]1CC[C@H](O)CC1.O=C(NCCNC(=O)c1ccc(O)cc1F)c1ccc(Cl)cc1'] | 1 | Its SMILES notation is CC(C)(C)OC(=O)N(CCSCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1cccc(Cl)c1Cl. | ChemQA/retro_39532 |
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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)NCCCI.CCOC(=O)c1cc2c(C(F)(F)F)cc(O)cc2n1C', 'COc1cc(CCOP(=O)(O)O)ccc1OC(=O)O[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)N(Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)c(F)cc1OC)C(=O)OC(C)(C)C.Cl', 'COC(=O)CCSCC(O)C(C)O', 'Nc1nccs1.O=C(O)C(CC1CCCC1)c1ccc(-c2cccnc2)cc1'] | 0 | Its SMILES notation is CCOC(=O)c1cc2c(C(F)(F)F)cc(OCCCNC(=O)OC(C)(C)C)cc2n1C. | ChemQA/retro_39533 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)c1ccccc1Cl.COc1ccccc1B(O)O', 'COc1ccccc1N1CCNCC1.ClCc1oc(CC2CCCCC2)nc1Cc1ccccc1', 'CN(CC(Cc1ccc(Cl)c(F)c1)C(=O)O)C(=O)OC(C)(C)C.Cn1nccc1Nc1nccc(-c2cc(F)nc(NN)c2)n1', 'COC(=O)c1cncc(Cl)n1.OB(O)c1ccco1'] | 1 | Its SMILES notation is COc1ccccc1N1CCN(Cc2oc(CC3CCCCC3)nc2Cc2ccccc2)CC1. | ChemQA/retro_39534 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1C(=O)C(c2cccc(OCc3ccccc3)c2)(c2cnn(CC(F)(F)F)c2)N=C1N', 'C[C@@H]([NH3+])C1CCOCC1.Fc1ncccc1I', 'CN=C=S.Cc1cccc(-c2cc([C@H]3C[C@H]4C[C@H]4N3)no2)c1', 'CCC(=O)Cl.Nc1nc2c(s1)CCc1ccccc1-2'] | 1 | Its SMILES notation is CC(C)(C)[S@@](N)=O. | ChemQA/retro_39535 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc(N)c(Cl)cc1C(=O)NCC1CCNCC1.O=C(CCCCCBr)c1ccc2c(c1)OCO2', 'Clc1nc2c(Br)cccn2n1.OB(O)c1cc(C(F)(F)F)ccc1Cl', 'Cc1ccc(S(=O)(=O)OCC2Cc3cccc(OS(=O)(=O)C(F)(F)F)c3O2)cc1.OB(O)c1ccc(F)c(Cl)c1', 'CC[C@H](N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1.Cn1cnc(-c2c(N)ncnc2Cl)n1'] | 0 | Its SMILES notation is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCC(=O)c2ccc3c(c2)OCO3)CC1. | ChemQA/retro_39536 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)COc1ccc(S)cc1C.FC(F)(F)c1ccc(-c2nc3cccc(CBr)c3s2)cc1', 'COC(=O)C1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1', 'Nc1ccc2cn[nH]c2c1.O=[N+]([O-])c1ccc(Cl)nc1Cl', 'CN(C)C=O.Clc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1'] | 2 | Its SMILES notation is O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc2cn[nH]c2c1. | ChemQA/retro_39537 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1oc2cccc(CBr)c2c1C', 'O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2ccnn2Cc2ccccc21', 'CCOC(=O)C1=C(Nc2ccccc2)OCC1=O.O=Cc1c[nH]c2ncc(Cl)cc12', 'O=C(C=Cc1ccc(Cn2cc(-c3ccc(CN4CCCC4)cc3)nn2)cc1)NOC1CCCCO1'] | 1 | Its SMILES notation is Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)c(Cl)c1. | ChemQA/retro_39538 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Brc1cccnc1.[Mg+]C1CCCC1', 'CN1CCN(Cc2ccc(N)cc2)CC1.O=C(O)/C=C/c1ccc(-c2ccc(Cl)cc2)cc1', 'C#CCBr.COC(=O)c1c(O)cccc1NC(=O)C(C)(C)C', 'Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)cc1C(=O)O.N=C(N)NC(=O)OCc1ccccc1'] | 1 | Its SMILES notation is CN1CCN(Cc2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)cc3)cc2)CC1. | ChemQA/retro_39539 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC=O.COCC[C@H]1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)CCN1', 'CCOC(=O)C1CCN(C(=O)OC)CC1=O.OCCO', 'Nc1ccc2c(c1)CC(=O)N2.O=C(O)C(=O)N1CCC(Cc2ccccc2)CC1', 'NCCc1ccc(CN2CCCC2)cc1.O=C(O)c1ccc(C2CCCCC2)c(Cl)c1'] | 0 | Its SMILES notation is CCN1CCN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)C[C@@H]1CCOC. | ChemQA/retro_39540 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)Cl.NC1CCOCC1', 'CC(C)(C)OC(=O)CN.N#Cc1ccc(N=C=S)cc1', 'Cn1c(=O)c2c(-c3cccc(F)c3)n3c(c2n(C)c1=O)C(c1nc(Cl)cs1)=CC(CO)C3', 'COc1cc(CNC(=O)OC(C)(C)C)c(Cl)cn1'] | 2 | Its SMILES notation is Cn1c(=O)c2c(-c3cccc(F)c3)n3c(c2n(C)c1=O)C(c1nc(Cl)cs1)CC(CO)C3. | ChemQA/retro_39541 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OC(C)=O', 'CCOC(=O)CBr.CS(=O)(=O)CCNC(=O)C(F)(F)F', 'CC(C)(C)OC(=O)N1[C@H](C=O)COC1(C)C.O=[N+]([O-])CCc1cc(F)cc(F)c1', 'CCC1CC1(NCC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C)c1cccc(-n2cccn2)c1'] | 1 | Its SMILES notation is CCOC(=O)CN(CCS(C)(=O)=O)C(=O)C(F)(F)F. | ChemQA/retro_39542 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCBr.OC1CCC(c2cccc(F)c2)CC1', 'CC(C)CC(=O)C(=O)O.C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O', 'CC(C)(C)OC(=O)n1c(-c2cc(OCCCCl)c(Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21.OC1CCNCC1', 'CC(C)(O)C(=O)O.CN(C(=O)N(C)[C@@H]1CN(C(=O)[C@H]2CC[C@H](N)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1'] | 0 | Its SMILES notation is CCOC1CCC(c2cccc(F)c2)CC1. | ChemQA/retro_39543 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOCC(=O)O.Cn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2c3cc(C(=O)CN)ccc3[nH]c21', 'C#Cc1ccc(F)cc1.O=S(=O)(Oc1cncc(Cl)c1)C(F)(F)F', 'COC(=O)C(CC1CCCC1)c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1', 'CC(=O)Cl.CCC1CCSc2c(C)ccc(C)c21'] | 0 | Its SMILES notation is CCOCC(=O)NCC(=O)c1ccc2[nH]c3c(cc(-c4ccc(Cl)cc4Cl)c(=O)n3C)c2c1. | ChemQA/retro_39544 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)Cl.COc1ccc2cc(CCC(C)O)cc(F)c2c1', 'CNC.O=C(O)CC1(N2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)CCC1', 'COC(=O)CC1CCC(c2ccc(N3CCc4nc(C)nc(N)c4C3=O)cc2)CC1', 'Brc1ccsc1.C=Cc1ccc(C(=O)OC(C)(C)C)c(Nc2ccc(F)cc2)c1'] | 1 | Its SMILES notation is CN(C)C(=O)CC1(N2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)CCC1. | ChemQA/retro_39545 |
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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)cc1Cl.NCCc1cccc(F)c1', 'CN(C)CCc1nnc(CO)n1-c1ccccc1C(=O)c1ccccc1Cl.O=C1NC(=O)c2ccccc21', 'Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4=CO)c2)n(C(C)(C)C)n1.Nc1cccc(O)c1', 'C=COCCON.COC(=O)c1cc(C)c(=O)n(C)c1Nc1ccc(Br)cc1F'] | 0 | Its SMILES notation is CCOC(=O)c1cnc(Cl)cc1NCCc1cccc(F)c1. | ChemQA/retro_39546 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1ccncn1.O=C(NCc1ccc(C(=O)O)cc1)OCc1ccccc1', 'O=S(=O)(Cl)C(F)(F)F.OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F', 'CCOC(=O)CC1CCNCC1.O=Cc1ccn(-c2ccc(C(F)(F)F)cc2)c1', 'Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(B2OC(C)(C)C(C)(C)O2)c1.O=C(O)c1ccc(Br)cn1'] | 3 | Its SMILES notation is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(=O)O)nc2)c1. | ChemQA/retro_39547 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)c1ccc(C2CC2C(=O)Cl)o1.C[C@@H]1CNC[C@H](C)O1', 'CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1c(C=O)cccc1C(=O)c1ccc(F)cc1', 'COC(=O)c1cccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(Br)cc2)c1.COc1cc(B(O)O)ccc1NC(=O)OC(C)(C)C', 'COc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)O)CC2.CS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1'] | 3 | Its SMILES notation is COc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(N3CCN(S(C)(=O)=O)CC3)cc1)CC2. | ChemQA/retro_39548 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(N)=O.Cc1ccc2c(N3CCN(CCc4cc(Br)ccc4F)CC3)cccc2n1', 'CCO.N#Cc1c(F)cccc1Cl', 'COC(=O)c1cc(-c2ccc(F)cc2)ccc1OCCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1', 'Nc1ccc(S(=O)(=O)C(F)(F)F)cc1.O=S1(=O)N=C(O)c2ccc(-c3ncccc3Cl)cc21'] | 2 | Its SMILES notation is CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(F)cc3)cc2C(=O)O)cs1. | ChemQA/retro_39549 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC1(c2cc(O)cc(F)c2)CCOCC1.FC(F)(F)c1cccc2cc(CBr)ccc12', 'CCOC(=O)CCN1CCC(C(=O)OCc2ccccc2)CC1', 'CSc1ccc(C(=O)O)s1.Nc1ccc2ccc(Cl)nc2n1', 'COC(=O)c1ccc(CN2CCN(C)CC2)c(Cl)c1'] | 2 | Its SMILES notation is CSc1ccc(C(=O)Nc2ccc3ccc(Cl)nc3n2)s1. | ChemQA/retro_39550 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOc1ccc(C=O)cn1.FC(F)(F)c1nnc2ccc(N3CCNCC3)nn12', 'CCC(=O)Cl.COc1ccc([N+](=O)[O-])cc1N', 'CCN(CC)C(=O)c1ccc(C(O)c2cccc3cccnc23)cc1', 'CN1C(=O)C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2cc(C(=O)O)ccc21.NCCO'] | 3 | Its SMILES notation is CN1C(=O)C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2cc(C(=O)NCCO)ccc21. | ChemQA/retro_39551 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(Cn2nc(C)c3c(Oc4ccc(-c5cnc(Nc6ccccc6)n(C)c5=O)cc4F)ccnc32)cc1', 'COc1ccccc1Sc1ccccc1C(=O)O.O=C([O-])O', 'CC#N.COc1ccccc1CNc1ccc2c(Br)cccc2n1', 'Clc1ncnc2ccccc12.NN'] | 1 | Its SMILES notation is COC(=O)c1ccccc1Sc1ccccc1OC. | ChemQA/retro_39552 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCNCC3)noc12.O=Cc1ccc(Cl)cc1', 'Nc1cnc(N)c(-c2cc(-c3cccnc3)ncc2Cl)c1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCCCCCCO', 'CC(C)(C)OC(=O)NC1CCNCC1.COc1ccc(Cl)c([N+](=O)[O-])c1'] | 2 | Its SMILES notation is CC(C)(C)OC(=O)NCCCCCCO. | ChemQA/retro_39553 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)O.Cc1ncc2n1C(=O)N(C1CCNCC1)C2', 'Fc1ccc(Cl)nc1.OO', 'COc1ccc2c(c1)CCN(Cc1ccc(OCC3CC3)cc1)C2=O', 'COC(=O)c1ccc(OCCCC(=O)OC(C)(C)C)c(C)c1'] | 2 | Its SMILES notation is O=C1c2ccc(O)cc2CCN1Cc1ccc(OCC2CC2)cc1. | ChemQA/retro_39554 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C[O-].O=[N+]([O-])c1c(Cl)cc(N2CCOCC2)nc1Cl', 'Cc1nc(N)sc1C(=O)NCc1ccccc1.O=C(Cl)Cc1ccccc1', 'CCCC(C(=O)OC)c1c(C)nc(-c2ccccc2)nc1-c1ccc2c(c1)CCCO2', 'O=[N+]([O-])c1cccc2[nH]c(Cl)nc12.c1c[nH]cn1'] | 0 | Its SMILES notation is COc1nc(N2CCOCC2)cc(Cl)c1[N+](=O)[O-]. | ChemQA/retro_39555 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#CCOc1c(OC)cc(C(=O)Cl)cc1OC.C[C@H](N)C1CCCCC1', 'COc1ccccc1NC(=O)Nc1ccc(CC(=O)OC(C)(C)C)cc1C', 'O=C(O)c1cc(Br)c(Br)o1', 'CCCCCCCCCCC=CCCCNc1ccc(C(=O)O)cc1.NS(=O)(=O)c1ccccc1'] | 2 | Its SMILES notation is O=C(O)c1cc(Br)co1. | ChemQA/retro_39556 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc(C=O)ccc1OCCN1CCOCC1.c1ccc([P+](Cc2n[nH]c3ccccc23)(c2ccccc2)c2ccccc2)cc1', 'N#CCc1c2cccn(CC(=O)c3ccccc3)c-2nc1Cl', 'COC(=O)c1ccc(C#N)c([N+](=O)[O-])c1.N', 'CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1.O=C(O)C1CCCOC1'] | 2 | Its SMILES notation is N#Cc1ccc(C(N)=O)cc1[N+](=O)[O-]. | ChemQA/retro_39557 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1ccc([N+](=O)[O-])cc1F.O=S(=O)(Cl)c1cccc(Cl)c1Cl', 'COc1ccc(Cn2nc(C=C3CCN(c4nc(C)ccc4[N+](=O)[O-])CC3)cc2-c2cccs2)cc1', 'COC(=O)NCCCn1nc(C(C)=O)cc1-c1ccccn1.NC1CC1', 'Cc1ccc2c(c1)c1ccccc1n2C(=O)OC(C)(C)C.O=C1CCC(=O)N1Br'] | 0 | Its SMILES notation is O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(F)c1. | ChemQA/retro_39558 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(C)OB(c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)OC1(C)C.Fc1ccc(-n2cnc(Br)c2)cc1', 'CC(=O)Cl.c1cncc(-c2cnc3c(c2)CCCN3)c1', 'COC(=O)c1ccc(C(O)c2c(-c3ccccc3)nn3c([Si](C)(C)C)c(OC)ccc23)o1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21'] | 2 | Its SMILES notation is COC(=O)c1ccc(Cc2c(-c3ccccc3)nn3c([Si](C)(C)C)c(OC)ccc23)o1. | ChemQA/retro_39559 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1onc(-c2ccccc2)c1C#Cc1ccc(C(=O)O)cc1.NC1CCOCC1', 'CC1NCCc2cccnc21.O=C(O)c1cc2ncc(Cl)cn2n1', 'Brc1ccc(I)cc1.C#CCCC', 'COC(=O)c1cccc2[nH]nc(C=O)c12.NCC12CCN(CC1)CC2'] | 1 | Its SMILES notation is CC1c2ncccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1. | ChemQA/retro_39560 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CI.CN(C)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)c(O)c1', 'CO[C@@]1(c2ccc(Cl)c(Cc3ccc(OCC(F)(F)F)cc3)c2)O[C@](C=O)(CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1', 'COc1ccc(N)cc1OC.Cn1c(-c2cnn(C(=O)OC(C)(C)C)c2)cc2cnc(Br)cc21', 'CC(C)(C)c1cc(C(=O)CBr)n(Cc2ccccc2)n1.COC(=S)c1cc(C(N)=S)c(C)s1'] | 0 | Its SMILES notation is COc1cc(S(=O)(=O)N(C)C)ccc1N1C(=O)c2ccccc2C1=O. | ChemQA/retro_39561 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C[C@H]1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(N)cc2)n1.O=C(Cl)Oc1ccccc1', 'CCOC(=O)C=CCCCCCc1cccc2cncn12', 'NN.O=[N+]([O-])c1ccc(Cl)nc1', 'COc1nc([N+](=O)[O-])cnc1NS(=O)(=O)c1cccc(Cl)c1F'] | 3 | Its SMILES notation is COc1nc(N)cnc1NS(=O)(=O)c1cccc(Cl)c1F. | ChemQA/retro_39562 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1oc2cccc(C#C[Si](C)(C)C)c2c1C', 'CCOC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)on1', 'COc1cc(N)c(CO)cc1Br', 'NCc1cccs1.O=C=NC12CC3CC(CC(C3)C1)C2'] | 2 | Its SMILES notation is COc1cc(N)c(C=O)cc1Br. | ChemQA/retro_39563 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(N)cc3S(=O)(=O)N2)c1=O.COC(=O)Cl', 'O=C(CCl)N1CCCc2ccccc21.Sc1nc2ccc(Cl)cc2s1', 'CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1.Nc1cnccc1C(F)(F)F', 'CC(=O)N1CCNCC1.O=[N+]([O-])c1ccc(Cl)cc1Nc1ccccc1'] | 1 | Its SMILES notation is O=C(CSc1nc2ccc(Cl)cc2s1)N1CCCc2ccccc21. | ChemQA/retro_39564 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N[C@@H]1CCCC[C@H]1C(=O)O.O=S(=O)(Cl)c1ccc(Oc2ccccc2)cc1', 'COC(OC)c1c(S(C)(=O)=O)ccc(C(=O)c2cnn(C)c2O)c1Cl', 'NCCS(=O)(=O)c1ccccc1.O=C(O)C=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1', 'C[C@H]1CN(c2nnc(Cl)c3ccncc23)CCN1.OB(O)c1ccc(C(F)(F)F)cc1'] | 3 | Its SMILES notation is C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1. | ChemQA/retro_39565 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1cccc(CC2(C(=O)OCc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1', 'CC(=O)O[C@@H]1CC2=CC=C3[C@@H]4CC[C@H](C(C)C5OCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](OC(=O)c2ccccc2)C1', 'CC(C)(C)OC(=O)N[C@H]1C[C@@H](CBr)OC1=O.[N-]=[N+]=[N-]', 'Cc1cc(C2OCCO2)c(C)cc1NC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1'] | 2 | Its SMILES notation is CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN=[N+]=[N-])OC1=O. | ChemQA/retro_39566 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)S(=O)(=O)CC#N', 'O=S(=O)(Cl)c1cccc(F)c1', 'BrC(Br)(Br)Br.OCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1', 'Nc1ccc(-c2cnco2)cc1.O=C(O)C(=O)CC1(c2ccccc2C(F)(F)F)CCC1'] | 2 | Its SMILES notation is Fc1cc(CBr)ccc1-c1nc2ccc(C3(c4ccccc4)CC3)nc2s1. | ChemQA/retro_39567 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(Cl)C=Cc1ccccc1.O=C(O)CO', 'O=Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1.OC1(c2ccccc2)CCNCC1', 'CC(=O)OC(C)=O.Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1', 'CC1(C)OB(c2cn[nH]c2)OC1(C)C.COc1ccc(CCl)cc1'] | 3 | Its SMILES notation is COc1ccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1. | ChemQA/retro_39568 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(CC(=O)O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O.On1nnc2ccccc21', 'COc1cc2c(cc1N1CCOCC1)CCC2=O.O=Cc1cc(C(F)(F)F)ccc1F', 'COc1ccc(C2(C)CC(O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1', 'COc1ccc(Br)cc1B(O)O.Ic1ccccc1I'] | 1 | Its SMILES notation is COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cc(C(F)(F)F)ccc1F)C2=O. | ChemQA/retro_39569 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COCc1sc(N2CCOCC2)nc1CO[Si](C)(C)C(C)(C)C', 'O=C(NC1CCC(c2nc(CCl)cs2)CC1)OCc1ccccc1.Oc1ccc(-n2cnnn2)cc1', 'O=S(=O)(Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1Cl)c1ccoc1.[NH4+]', 'C[C@@H]1CN(c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)CCN1C(=O)OC(C)(C)C'] | 1 | Its SMILES notation is O=C(NC1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1)OCc1ccccc1. | ChemQA/retro_39570 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CI.O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1Cl', 'CCC(=O)NC/C=C1\\CCc2ncc3c(c21)CCO3', 'C#CCCc1nc2ccccc2nc1C.FCc1cccc(Br)n1', 'CC(C)(C)OC(=O)NC(=N)c1ccc(C(=O)O)cc1.COC(=O)Nc1ccc(-c2cnc([C@@H]3C[C@H](C4CCN(S(C)(=O)=O)CC4)CN3)[nH]2)cc1'] | 2 | Its SMILES notation is Cc1nc2ccccc2nc1CCC#Cc1cccc(CF)n1. | ChemQA/retro_39571 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc(CN(N)C(N)=O)cc1.O=C(Cl)COCc1ccccc1', 'CS(=O)c1ccc(CCBr)cc1.Fc1ccc(-c2[nH]cc(C3=CCNCC3)c2-c2ccncc2)cc1Cl', 'C#CCNC(=O)CBr.CN(C)C', 'Brc1cccc(Br)n1.CC[O-]'] | 0 | Its SMILES notation is Cc1ccc(CN(NC(=O)COCc2ccccc2)C(N)=O)cc1. | ChemQA/retro_39572 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C1COCCN1.COC(=O)C1(NC(=O)c2ccc(CCl)cc2)CCCCC1', 'CCOC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1', 'C=C(C)C(C)Oc1cc(OCC#CCC)ncn1.Cl', 'Cc1nc(-c2ccn(CCN)n2)sc1C(=O)NCc1cccnc1.O=C(Cl)c1ccc(F)cc1'] | 3 | Its SMILES notation is Cc1nc(-c2ccn(CCNC(=O)c3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1. | ChemQA/retro_39573 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1csc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)cc2)n1', 'CN1C(=O)C(C)(C)c2cc(F)c(N)cc21.O=C(O)c1ccncc1', 'COc1ccc(F)cc1C1CCNCC1.O=C1CC2(CCCC2)CC(=O)N1CCCl', 'COC(=O)C1CCc2ccc(-c3cccc(OCc4ccccc4)c3)cc2C1'] | 2 | Its SMILES notation is COc1ccc(F)cc1C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1. | ChemQA/retro_39574 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COP(OC)OC.O=C1c2ccccc2C(=O)N1CBr', 'CC(C)(C)OC(=O)N1CCC(c2ccnc3cnc4[nH]ccc4c23)CC1', 'CCCCCCCCCc1cnc(-c2ccc(O)cc2)nc1.FC(F)(COCCCCCBr)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F', 'C=O.Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1ccc2c(c1)CCCN2'] | 0 | Its SMILES notation is COP(=O)(CN1C(=O)c2ccccc2C1=O)OC. | ChemQA/retro_39575 |
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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)NC1CCCCC1C1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1', 'C#CCO.COC(=O)c1nc(I)c2cccnc2c1OC(=O)c1ccccc1', 'O=C(CBr)c1ccc(OCc2c(F)cccc2F)cc1.Sc1nc[nH]n1', 'CI.CN1CCC(OC(=O)C(c2noc3ccccc23)N2CCCCC2)CC1'] | 2 | Its SMILES notation is O=C(CSc1nc[nH]n1)c1ccc(OCc2c(F)cccc2F)cc1. | ChemQA/retro_39576 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cc(OC(C)C)cc(OC(C)C)c1', 'CCO.CCOC(=O)C(=O)C1=COCC1', 'CI.O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1', 'Brc1ccn2ncc(I)c2c1.C#CCO'] | 2 | Its SMILES notation is CN(C(=O)C1CCCCC1)c1ccc(F)c([N+](=O)[O-])c1. | ChemQA/retro_39577 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CCOc1ccc(C[C@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1Cl', 'CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(C#N)c3)nn2CCC2OCCO2)C1', 'COc1cc(N)c(C(N)=O)c(OC)c1.O=Cc1ccc2[nH]c(CO)cc2c1', 'CC1(C)OB(c2cncnc2)OC1(C)C.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCO)c(Br)c1'] | 0 | Its SMILES notation is C=CCOc1ccc(C[C@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1Cl. | ChemQA/retro_39578 |
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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)(C)c1ccccc1', 'COc1cncc(Nc2ncccc2-c2nc(C)nc3c2ncn3C2CCCCO2)c1', 'CC(C)OB(C#CC(C)(C)C)OC(C)C.NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(Br)c(F)c1', 'COC(=O)c1cc(O)c2cc(Br)cc(OCc3ccccc3)c2n1'] | 1 | Its SMILES notation is COc1cncc(Nc2ncccc2-c2nc(C)nc3[nH]cnc23)c1. | ChemQA/retro_39579 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)N.Cc1cc2c(cc(Cl)c3nnc(C)n32)n1Cc1ccccc1', 'CNC.O=c1[nH]nc2n1-c1ccc(Cl)nc1C(c1ccccc1Cl)=NC2', 'CC(C)(CO)n1cc(Nc2nccc(N3CC[C@@](C#N)(C4CC4)C3=O)n2)cn1', 'CC(C)(C)OC(=O)N1CCC(C#N)(c2cccs2)CC1'] | 0 | Its SMILES notation is Cc1cc2c(cc(NC(C)C)c3nnc(C)n32)n1Cc1ccccc1. | ChemQA/retro_39580 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(Nc1ccccc1)N1CCNCC1.O=C1CCc2cc(Br)ccc2C1', 'C/C(=C\\CO)c1ccc(Cc2ncc[nH]2)cc1.COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1', 'CC(C)S(=O)(=O)NC1COCCC12OCCO2', 'CCC=O.O=C1CSC(=O)N1CCCCSc1cccc2nccn12'] | 1 | Its SMILES notation is COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C(\C)c2ccc(Cc3ncc[nH]3)cc2)C1c1cccc([N+](=O)[O-])c1. | ChemQA/retro_39581 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)c1ccc2c(c1)CC(=O)N2C(C)=O.O=C(O)c1ccc(Cl)c(Cl)c1', 'O=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1ccc(Cl)cc1', 'Brc1ncccn1.CON(C)C(=O)c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1', 'CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(OCc3ccccc3)cc12'] | 1 | Its SMILES notation is O=c1c(-c2ccc(O)c(F)c2)cncn1Cc1ccc(Cl)cc1. | ChemQA/retro_39582 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CSc1nc(Cl)ncc1Br.Nc1cc(F)cc(F)c1', 'COC(=O)[C@@H](OS(C)(=O)=O)c1ccccc1.Nc1ccc(F)cc1', 'COC(=O)CN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2N)CC1', 'C=CCN.Cc1cccc(OC2CN(C(=O)Cl)C2)c1'] | 2 | Its SMILES notation is Nc1ccccc1C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC(=O)O)CC1. | ChemQA/retro_39583 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=O.Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN[C@@H](CCc2ccoc2)C1', 'CN1CCN(CCOc2ccc(C3=CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cn2)CC1=O', 'Nc1cc(N(C(F)(F)F)C(F)(F)F)ccc1Cl', 'CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cnccc1Br.OB(O)c1ccc(C(F)(F)F)cc1'] | 2 | Its SMILES notation is Nc1cccc(N(C(F)(F)F)C(F)(F)F)c1. | ChemQA/retro_39584 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C1C=C(c2ccccc2)C(=O)N1.O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1', 'CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F.OC1CCCCC1', 'CCOC(=O)C1=C(c2ccsc2)CCN(Cc2ccccc2)C1', 'CC[C@H](N)c1cc2cccc(F)c2c(=O)n1C1CC1.Cc1noc(-c2c(N)ncnc2Cl)n1'] | 3 | Its SMILES notation is CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(F)c2c(=O)n1C1CC1. | ChemQA/retro_39585 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)[C@@H]1C[C@@H](S(C)(=O)=O)CN1C(=O)OC(C)(C)C', 'COc1ccc2c(c1)C1=C(SCC3(CCNCC3)O1)C(=O)C2=O.Fc1ccc(CBr)cc1', 'Clc1ccc(I)nc1Br.OB(O)c1ccccc1', 'COc1cccc(C(=O)NC23C(=O)c4c([N+](=O)[O-])cccc4C2(O)Oc2cc(C(C)C)ccc23)c1'] | 3 | Its SMILES notation is COc1cccc(C(=O)NC23C(=O)c4c(N)cccc4C2(O)Oc2cc(C(C)C)ccc23)c1. | ChemQA/retro_39586 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=c1c(O)cn(-c2ccc(C3CCOCC3)cc2F)nc1-c1ccnn1-c1ccccc1.OCCF', 'COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1.Cc1csc(B(O)O)c1', 'CCOc1cc(C(C)(C)C#N)c(Cl)cc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)Cl.Cc1noc(C)c1C(=O)N1CCNCC1', 'NC(c1ccccn1)C(O)c1ccccc1.O=C(Cl)CCCCl'] | 2 | Its SMILES notation is CCOc1cc(C(C)(C)C#N)c(Cl)cc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)c2c(C)noc2C)CC1. | ChemQA/retro_39587 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)CCC(=O)O.O=C1c2ccccc2C(Cl)N1c1ccc2ccc(Cl)nc2n1', 'CCCCCCCCN=C=O.CCCCCN', 'CCCCc1nc(CO)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1', 'N[C@H]1CC[C@H](N)CC1.Nc1ncc(-c2cc(F)ncc2Cl)nc1NCC1CCOCC1'] | 3 | Its SMILES notation is Nc1ncc(-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)nc1NCC1CCOCC1. | ChemQA/retro_39588 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=[N+]([O-])c1cnc2ccc(C(F)(F)F)cc2c1-c1ccccc1', 'C[C@H](N=C=O)c1ccccc1.Nc1ccc([N+](=O)[O-])cc1O', 'CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Br)nc1.OB(O)c1cccc(C(F)(F)F)c1', 'NCc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1.O=C(O)Cc1ccc(CNCC(O)C(O)C(O)C(O)CO)cc1'] | 2 | Its SMILES notation is CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)nc1. | ChemQA/retro_39589 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)C[C@@H](CO)Nc1nc(Cl)ncc1-c1ccsc1.CCOC(=O)N=S(C)(=O)c1ccc(N)cc1', 'CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN)CC1.O=C(O)c1ccnc(Br)c1', 'C#Cc1cccc(C=O)c1.FC(F)(F)c1nnc2ccc(N3CCNCC3)nn12', 'CCCCCCCCc1ccc(C(=O)Cl)cc1.COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4ccccc4)cc3)cc2C1=O'] | 0 | Its SMILES notation is CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(-c3ccsc3)c(N[C@H](CO)CC(C)C)n2)cc1. | ChemQA/retro_39590 |
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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)OC1CCC(n2c(Nc3nn(COCC[Si](C)(C)C)c4ccc(Br)cc34)nc3cc(C(=O)O)ccc32)CC1.NC1CCCC1', 'CC(=O)N(c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1)c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1', 'C1CNC1.Cn1ncc(C(=O)O)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cc1Br', 'BrCc1ccccc1.CC(C)(C)OC(=O)NN1CCC(C(=O)O)CC1'] | 2 | Its SMILES notation is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cc1Br. | ChemQA/retro_39591 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=[N+]([O-])c1cc(OC[C@@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1', 'COC(=O)C1CCNCC1.ClCc1ccccc1', 'Cn1ccnc1C(=O)O.Nc1cccc(-n2ncc3c(N)ncnc32)c1', 'COC(=O)c1ccc(F)c(N)c1.CS(=O)(=O)Cl'] | 3 | Its SMILES notation is COC(=O)c1ccc(F)c(NS(C)(=O)=O)c1. | ChemQA/retro_39592 |