prompt stringlengths 117 244 | input_smiles stringlengths 16 105 | output_smiles stringlengths 4 125 | task_id int64 101 206 | action_type stringclasses 3
values |
|---|---|---|---|---|
Can you make molecule S(=O)(=O)(c1ccc(NC([C@@H]2C[C@@H]2C)=O)cc1)NCCC higher permeability? The output molecule should be similar to the input molecule. | S(=O)(=O)(c1ccc(NC([C@@H]2C[C@@H]2C)=O)cc1)NCCC | S(=O)(=O)(c1ccc(N=CCC[C@@H]2C[C@@H]2C)cc1)NCCC | 105 | replace |
Can you make molecule C1(C(N(CC=C)CC=C)=O)CCN(C(=O)C(C)(C)C)CC1 less like a drug? The output molecule should be similar to the input molecule. | C1(C(N(CC=C)CC=C)=O)CCN(C(=O)C(C)(C)C)CC1 | C1(C(c2c(C#N)c(CC=C)c(CC=C)o2)=O)CCN(C(=O)C(C)(C)C)CC1 | 104 | replace |
Can you make molecule c1(C(C=Cc2cn(CC)nc2)=O)ccc2ccccc2c1 lower permeability? The output molecule should be similar to the input molecule. | c1(C(C=Cc2cn(CC)nc2)=O)ccc2ccccc2c1 | c1(N2CCc3nc(C(C=Cc4cn(CC)nc4)=O)nc(C)c3C2)ccc2ccccc2c1 | 106 | insert |
Can you make molecule [C@@H]1(CNc2c(C#N)ccnc2)C[C@@]12CCc1ccccc12 less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@@H]1(CNc2c(C#N)ccnc2)C[C@@]12CCc1ccccc12 | [C@@H]1(CNC(=O)NNc2ccc(F)cc2Br)C[C@@]12CCc1ccccc12 | 204 | replace |
Can you make molecule c1(CC[C@@H](C)[NH2+][C@H](c2ccccc2F)CO)ccc2c(c1)OCO2 less soluble in water? The output molecule should be similar to the input molecule. | c1(CC[C@@H](C)[NH2+][C@H](c2ccccc2F)CO)ccc2c(c1)OCO2 | c1(CC[C@@H](C)[NH2+][C@H]2CN([C@H](c3ccccc3F)CO)[C@H](C)CC2)ccc2c(c1)OCO2 | 102 | insert |
Can you make molecule [NH+]1(CCCCC)CCN(C(=O)N(C)C)CC1 more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | [NH+]1(CCCCC)CCN(C(=O)N(C)C)CC1 | [NH+]1(CCCCC)CCN(C(=O)NNC(=O)N(C)C)CC1 | 203 | replace |
Can you make molecule N1(C(=O)Cn2cccc(C(F)(F)F)c2=O)CCCc2c(Cl)ccc(F)c21 more soluble in water and higher permeability? The output molecule should be similar to the input molecule. | N1(C(=O)Cn2cccc(C(F)(F)F)c2=O)CCCc2c(Cl)ccc(F)c21 | N1(C[NH+](C)Cn2cccc(C(F)(F)F)c2=O)CCCc2c(Cl)ccc(F)c21 | 205 | replace |
Can you make molecule c1(N2C[C@H](C)S[C@@H](C)C2)cc2c(cc1Br)C(=O)C(=O)N2 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | c1(N2C[C@H](C)S[C@@H](C)C2)cc2c(cc1Br)C(=O)C(=O)N2 | c1(NC(=S)NNC(=S)NN2C[C@H](C)S[C@@H](C)C2)cc2c(cc1Br)C(=O)C(=O)N2 | 108 | insert |
Can you make molecule c1(SCC(c2ccc(CNC(C)=O)cc2)=O)nnc2sc3ccccc3n12 less like a drug? The output molecule should be similar to the input molecule. | c1(SCC(c2ccc(CNC(C)=O)cc2)=O)nnc2sc3ccccc3n12 | c1(SCC(=O)c2cc(-c3ccc(CNC(C)=O)cc3)c(Cl)cc2F)nnc2sc3ccccc3n12 | 104 | insert |
Can you make molecule N1(C(c2scc(C#N)c2)=O)CC[C@H]2CCCC[C@H]12 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | N1(C(c2scc(C#N)c2)=O)CC[C@H]2CCCC[C@H]12 | N1(c2nc3cc(C(c4scc(C#N)c4)=O)ncn3n2)CC[C@H]2CCCC[C@H]12 | 206 | insert |
Can you make molecule C[C@@H]1CCC/C(=N/[NH+]=C(/[S-])NCc2ccccc2)C1 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | C[C@@H]1CCC/C(=N/[NH+]=C(/[S-])NCc2ccccc2)C1 | C[C@@H]1CCC/C(=N/[NH+]=C(/[S-])NCc2cc(N)c(O)cc2)C1 | 107 | replace |
Can you make molecule c1(NC(C)=O)cccc(-n2nnnc2SCCOc2cccc(C)c2)c1 less like a drug? The output molecule should be similar to the input molecule. | c1(NC(C)=O)cccc(-n2nnnc2SCCOc2cccc(C)c2)c1 | c1(C(C)=O)cccc(-n2nnnc2SCCOc2cccc(C)c2)c1 | 104 | delete |
Can you make molecule Cc1ccc2c(CC(=O)NCC[NH+]3CCOCC3)cc(=O)oc2c1 more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | Cc1ccc2c(CC(=O)NCC[NH+]3CCOCC3)cc(=O)oc2c1 | Cc1ccc2c(CC(=O)NCCN/C(=[NH+]/CC[NH+]3CCOCC3)N)cc(=O)oc2c1 | 203 | insert |
Can you make molecule C[C@@H]1CC(=O)c2cc(C(=O)Nc3ccccc3Cl)c(=O)[nH]c2C1 lower permeability? The output molecule should be similar to the input molecule. | C[C@@H]1CC(=O)c2cc(C(=O)Nc3ccccc3Cl)c(=O)[nH]c2C1 | C[C@@H]1CC(=O)c2cc(C(=O)N3CCc4nc(Nc5ccccc5Cl)nc(C)c4C3)c(=O)[nH]c2C1 | 106 | insert |
Can you make molecule c1(C(CCCC)=O)c(C)cc(C)[nH]c1=O more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | c1(C(CCCC)=O)c(C)cc(C)[nH]c1=O | c1(CCCCC(N)=O)c(C)cc(C)[nH]c1=O | 206 | replace |
Can you make molecule Cc1cc(F)cc(S(=O)(=O)N(C)CC[NH+](C)C)c1 more soluble in water? The output molecule should be similar to the input molecule. | Cc1cc(F)cc(S(=O)(=O)N(C)CC[NH+](C)C)c1 | Cc1cc(F)cc(S(=O)(=O)N(C)N/C=C/N[NH+](C)C)c1 | 101 | replace |
Can you make molecule c1(C[C@H](c2cscc2Br)[NH2+]C)c(F)cccc1Cl less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C[C@H](c2cscc2Br)[NH2+]C)c(F)cccc1Cl | c1(C[C@@H]([NH2+]C)c2c(O)ccc3occ(-c4cscc4Br)c32)c(F)cccc1Cl | 202 | insert |
Can you make molecule c1(OC)ccc(O[C@H](C)CNC([C@@H]2CCCC[C@@H]2C(F)(F)F)=O)cc1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(OC)ccc(O[C@H](C)CNC([C@@H]2CCCC[C@@H]2C(F)(F)F)=O)cc1 | c1(OC)ccc(O[C@H](C)Cc2nc(C)n(NC([C@@H]3CCCC[C@@H]3C(F)(F)F)=O)c2)cc1 | 202 | insert |
Can you make molecule c1(C2CC[NH+](Cc3cnc(SCCC)nc3)CC2)cc(=O)[nH]c(-c2ccccn2)n1 higher permeability? The output molecule should be similar to the input molecule. | c1(C2CC[NH+](Cc3cnc(SCCC)nc3)CC2)cc(=O)[nH]c(-c2ccccn2)n1 | c1(C2CC[NH+](Cc3nc(SCCC)c(Cl)cc3)CC2)cc(=O)[nH]c(-c2ccccn2)n1 | 105 | replace |
Can you make molecule c1(NC(N(CCc2nccs2)CC)=O)cncc2ccccc12 more like a drug? The output molecule should be similar to the input molecule. | c1(NC(N(CCc2nccs2)CC)=O)cncc2ccccc12 | c1(NC(N(CCN2CCC2)CC)=O)cncc2ccccc12 | 103 | replace |
Can you make molecule CC(C)(C)CCS(=O)(=O)NC[C@@H]1CCCN(c2ncccn2)C1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | CC(C)(C)CCS(=O)(=O)NC[C@@H]1CCCN(c2ncccn2)C1 | CC(C)(C)CCS(=O)(=O)c1c(N)c(C[C@@H]2CCCN(c3ncccn3)C2)ns1 | 202 | replace |
Can you make molecule S(=O)(=O)(c1ccc(F)c(F)c1)N1CCN([C@@H]2CC[C@H](C)C2)CC1 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | S(=O)(=O)(c1ccc(F)c(F)c1)N1CCN([C@@H]2CC[C@H](C)C2)CC1 | S(=O)(=O)(c1ccc(F)c(F)c1)[C@@H]1NCCN([C@@H]2CC[C@H](C)C2)C1=O | 206 | replace |
Can you make molecule Cc1cc(Cl)cc(Cl)c1CNC(c1cccs1)=O lower permeability? The output molecule should be similar to the input molecule. | Cc1cc(Cl)cc(Cl)c1CNC(c1cccs1)=O | Cc1cc(Cl)cc(Cl)c1ONC(=O)NC(c1cccs1)=O | 106 | replace |
Can you make molecule N1(c2ccc(C)cc2)NC(=O)C(=Cc2ccc(Cl)cc2)C1=O with more hydrogen bond donors? The output molecule should be similar to the input molecule. | N1(c2ccc(C)cc2)NC(=O)C(=Cc2ccc(Cl)cc2)C1=O | N1(c2ccc(C)cc2)NC(=O)C(=c2c(O)nc(=Cc3ccc(Cl)cc3)[nH]c2=O)C1=O | 108 | insert |
Can you make molecule N1(C(=O)C[C@H](O)c2ccccc2)CCN(c2ccc(Cl)cc2)CC1 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | N1(C(=O)C[C@H](O)c2ccccc2)CCN(c2ccc(Cl)cc2)CC1 | N1(C(=O)C[C@H](O)c2ccccc2)CCN([C@H]2NN=C(Nc3ccc(Cl)cc3)S2)CC1 | 108 | insert |
Can you make molecule c1(C(N2[C@H](CC)CCCCC2)=O)cnc2sc(C)cn2c1=O less like a drug? The output molecule should be similar to the input molecule. | c1(C(N2[C@H](CC)CCCCC2)=O)cnc2sc(C)cn2c1=O | c1(-c2cnc3ccc(C(N4[C@H](CC)CCCCC4)=O)nn3c2=O)cnc2sc(C)cn2c1=O | 104 | insert |
Can you make molecule C[C@H]1CN(c2ccccc2C[NH2+]C2CCC(O)CC2)C[C@@H](C)O1 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | C[C@H]1CN(c2ccccc2C[NH2+]C2CCC(O)CC2)C[C@@H](C)O1 | C[C@H]1CN(c2ccccc2CNNC(=O)[NH2+]C2CCC(O)CC2)C[C@@H](C)O1 | 206 | replace |
Can you make molecule c1(C(=O)OCC)c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(C)cc1C more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C(=O)OCC)c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(C)cc1C | c1(C(=O)OC2OCCO2)c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(C)cc1C | 201 | replace |
Can you make molecule c1(CCC(=O)Nc2ccc(OC)c(OC)c2)ccc2c(c1)OCCO2 less soluble in water? The output molecule should be similar to the input molecule. | c1(CCC(=O)Nc2ccc(OC)c(OC)c2)ccc2c(c1)OCCO2 | c1(CCC(c2ccc(OC)c(OC)c2)=O)ccc2c(c1)OCCO2 | 102 | delete |
Can you make molecule c1([C@@H]2[C@H](C(=O)O[C@@H](c3ccccn3)C)C2)ccc(OC(F)(F)F)cc1 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | c1([C@@H]2[C@H](C(=O)O[C@@H](c3ccccn3)C)C2)ccc(OC(F)(F)F)cc1 | c1([C@@H]2[C@H](C(=O)O[C@@H](c3cc(NN)ccn3)C)C2)ccc(OC(F)(F)F)cc1 | 108 | replace |
Can you make molecule c1(-c2c(NC(c3n(C)ncc3)=O)scc2)nc2ccccc2s1 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(-c2c(NC(c3n(C)ncc3)=O)scc2)nc2ccccc2s1 | c1(-c2c(-c3nnc(NC(c4n(C)ncc4)=O)n(N)c3=O)scc2)nc2ccccc2s1 | 107 | insert |
Can you make molecule c1(C(=O)NC)ccc(O[C@@H]2CCC[C@H]([NH3+])C2)nn1 less like a drug? The output molecule should be similar to the input molecule. | c1(C(=O)NC)ccc(O[C@@H]2CCC[C@H]([NH3+])C2)nn1 | c1(C(=O)O/N=C/C)ccc(O[C@@H]2CCC[C@H]([NH3+])C2)nn1 | 104 | replace |
Can you make molecule n1(CCCCC)c(SCC(=O)[O-])nc2ccccc2c1=O more like a drug? The output molecule should be similar to the input molecule. | n1(CCCCC)c(SCC(=O)[O-])nc2ccccc2c1=O | n1(CCCCC)c(CC(=O)[O-])nc2ccccc2c1=O | 103 | delete |
Can you make molecule C[NH+]1CCC(N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | C[NH+]1CCC(N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 | C[NH+]1CCC(C(=O)NON[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 | 201 | insert |
Can you make molecule Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCO)c2cccs2)cc1 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCO)c2cccs2)cc1 | Cc1ccc(N2CCc3nc([C@@H](C)NC(=O)N[C@@H](CCO)c4cccs4)nc(C)c3C2)cc1 | 107 | insert |
Can you make molecule c1(OC)ccc([C@@H](C)[NH2+][C@H](c2ccc(F)cn2)C)c(OC)c1 more soluble in water? The output molecule should be similar to the input molecule. | c1(OC)ccc([C@@H](C)[NH2+][C@H](c2ccc(F)cn2)C)c(OC)c1 | c1(OC)ccc([C@@H](C)[NH2+][C@H](c2c(O)ccc(C)n2)C)c(OC)c1 | 101 | replace |
Can you make molecule c1(OC)ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1 more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(OC)ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1 | c1(OC)ccc2c(-c3[nH+]n(CC(=O)Nc4ccc(NC(C)=O)cc4C(F)(F)F)c(N)c3C)coc2c1 | 201 | insert |
Can you make molecule C(c1ccnc(Cl)c1)=CC(=O)N[C@H]1CCC[NH+](CCOC)C1 more soluble in water and higher permeability? The output molecule should be similar to the input molecule. | C(c1ccnc(Cl)c1)=CC(=O)N[C@H]1CCC[NH+](CCOC)C1 | C(c1ccnc(Cl)c1)=C1CC[NH+](CN[C@H]2CCC[NH+](CCOC)C2)CC1 | 205 | replace |
Can you make molecule N1(c2ccc(NC(c3ccc(=O)[nH]c3)=O)cc2)CCCN(C(=O)C2CC2)CC1 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | N1(c2ccc(NC(c3ccc(=O)[nH]c3)=O)cc2)CCCN(C(=O)C2CC2)CC1 | N1(c2ccc(NC(c3ccc(=O)[nH]c3)=O)cc2)CCCN(c2nnc(C(=O)C3CC3)n(N)c2=O)CC1 | 206 | insert |
Can you make molecule C(c1cccc(OC(c2ccco2)=O)c1)=C(C(=O)OCC)C#N lower permeability? The output molecule should be similar to the input molecule. | C(c1cccc(OC(c2ccco2)=O)c1)=C(C(=O)OCC)C#N | C(c1cccc(OC(c2ccco2)=O)c1)=CC(NNC(COCC)=O)=O | 106 | replace |
Can you make molecule c1(OC)cc(C(=O)Nc2nccs2)ccc1OCC(=O)Nc1ccc(F)cc1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(OC)cc(C(=O)Nc2nccs2)ccc1OCC(=O)Nc1ccc(F)cc1 | c1(OC)cc(C(=O)Nc2nccs2)ccc1OC/C(C)=N\ONc1ccc(F)cc1 | 202 | replace |
Can you make molecule c1([C@H](C2CC2)[NH2+][C@@H]2CCN(C(=O)NCC)C2)ccc(Br)cc1 lower permeability? The output molecule should be similar to the input molecule. | c1([C@H](C2CC2)[NH2+][C@@H]2CCN(C(=O)NCC)C2)ccc(Br)cc1 | c1(N2[C@@H]([NH2+][C@@H]3CCN(C(=O)NCC)C3)NN[C@@H]2C2CC2)ccc(Br)cc1 | 106 | replace |
Can you make molecule Cc1ccc(C)c2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc12 higher permeability? The output molecule should be similar to the input molecule. | Cc1ccc(C)c2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc12 | Cc1ccc(C)c2nc3sc(CC4=CCCN(Nc5ccc6c(c5)OCO6)C4)c(N)c3cc12 | 105 | replace |
Can you make molecule [C@H]1([NH2+]Cc2c(C)csc2)CCC[C@@H](C)C1 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@H]1([NH2+]Cc2c(C)csc2)CCC[C@@H](C)C1 | [C@H]1([NH2+]C(=O)NNCc2c(C)csc2)CCC[C@@H](C)C1 | 108 | replace |
Can you make molecule c1(OC)ccc(C[NH+]2CCNC(=O)CC2)cc1OCC(C)C more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(OC)ccc(C[NH+]2CCNC(=O)CC2)cc1OCC(C)C | c1(OS(C)(=O)=O)ccc(C[NH+]2CCNC(=O)CC2)cc1OCC(C)C | 201 | replace |
Can you make molecule [C@@H]1(NCCOc2cc(OC)cc(OC)c2)C[C@H](C)[NH+](C)C[C@H]1C more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | [C@@H]1(NCCOc2cc(OC)cc(OC)c2)C[C@H](C)[NH+](C)C[C@H]1C | [C@@H]1(NCCOc2c3nc(OC)cc(OC)n3cn2)C[C@H](C)[NH+](C)C[C@H]1C | 201 | replace |
Can you make molecule c1(CNCCc2c(C)cc(F)cc2)cn2ccccc2[nH+]1 more like a drug? The output molecule should be similar to the input molecule. | c1(CNCCc2c(C)cc(F)cc2)cn2ccccc2[nH+]1 | c1(CNCCN2CC(C)(C)C2)cn2ccccc2[nH+]1 | 103 | replace |
Can you make molecule n1(CC)nc(C)c(NC(=O)N[C@H](c2ccccc2F)C2CCCC2)c1C with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | n1(CC)nc(C)c(NC(=O)N[C@H](c2ccccc2F)C2CCCC2)c1C | n1(CC)nc(C)c(NC(=O)c2cnc3ccc(N[C@H](c4ccccc4F)C4CCCC4)nn3c2=O)c1C | 107 | insert |
Can you make molecule Cn1cc(C=C2SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc12 lower permeability? The output molecule should be similar to the input molecule. | Cn1cc(C=C2SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc12 | Cn1cc(C=C2SC(=S)N(c3cc(C(=O)[O-])ccc3NN)C2=O)c2ccccc12 | 106 | replace |
Can you make molecule [C@H]1(NC(=O)OCC)CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | [C@H]1(NC(=O)OCC)CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 | [C@H]1(NC(=O)c2nn(OCC)c3cc(Br)ccc23)CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 | 202 | insert |
Can you make molecule c1(C(=O)NCc2cccc(OC)c2)ccc([N+](=O)[O-])cc1F less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | c1(C(=O)NCc2cccc(OC)c2)ccc([N+](=O)[O-])cc1F | c1(C(=O)NCc2cccc(C(=O)NNc3ccc(F)cc3)c2)ccc([N+](=O)[O-])cc1F | 204 | replace |
Can you make molecule C(c1ccc(O)c(Cl)c1)=C(C#N)C(=O)Nc1cc(Cl)ccc1Cl less soluble in water? The output molecule should be similar to the input molecule. | C(c1ccc(O)c(Cl)c1)=C(C#N)C(=O)Nc1cc(Cl)ccc1Cl | C(c1ccc(O)c(Cl)c1)=c1ccc2cc(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)ccc2n1 | 102 | insert |
Can you make molecule c1(C(=O)N[C@@H](COC)C(N)=O)cc(-c2ccccc2)c(C)[nH]c1=O less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C(=O)N[C@@H](COC)C(N)=O)cc(-c2ccccc2)c(C)[nH]c1=O | c1(-n2c(C)cc(N[C@@H](COC)C(N)=O)cc2=O)cc(-c2ccccc2)c(C)[nH]c1=O | 202 | replace |
Can you make molecule Cc1cccc(CCC(=O)OCc2nnc(-c3ccccc3Cl)o2)c1 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | Cc1cccc(CCC(=O)OCc2nnc(-c3ccccc3Cl)o2)c1 | Cc1cccc(CCC(=O)O[C@H]2NN=C(NCc3nnc(-c4ccccc4Cl)o3)S2)c1 | 108 | insert |
Can you make molecule c1(C[NH2+]C[C@@H](C)CO)cn(C)nc1-c1ccccc1 less soluble in water? The output molecule should be similar to the input molecule. | c1(C[NH2+]C[C@@H](C)CO)cn(C)nc1-c1ccccc1 | c1(C[NH2+]C[C@@H](C)CO)cn(C)nc1N1C[C@H](c2ccccc2)CC[C@H]1C | 102 | insert |
Can you make molecule c1(CNCC[NH+](C(C)C)C)cnc(-c2cccs2)s1 more soluble in water? The output molecule should be similar to the input molecule. | c1(CNCC[NH+](C(C)C)C)cnc(-c2cccs2)s1 | c1(CNCC[NH+](C(C)C)C)cnc(-c2cncs2)s1 | 101 | replace |
Can you make molecule N1(c2ccc(NC(c3ccc(=O)[nH]c3)=O)cc2)CCCN(C(=O)C2CC2)CC1 less soluble in water? The output molecule should be similar to the input molecule. | N1(c2ccc(NC(c3ccc(=O)[nH]c3)=O)cc2)CCCN(C(=O)C2CC2)CC1 | N1(c2ccc(NC(c3ccc(=O)[nH]c3)=O)c(Cl)c2)CCCN(C(=O)C2CC2)CC1 | 102 | replace |
Can you make molecule Cc1noc(C)c1CN(C)C(c1cccc(C[S@](C)=O)c1)=O with more hydrogen bond donors? The output molecule should be similar to the input molecule. | Cc1noc(C)c1CN(C)C(c1cccc(C[S@](C)=O)c1)=O | Cc1noc(C)c1CN/C=C/NC(c1cccc(C[S@](C)=O)c1)=O | 108 | replace |
Can you make molecule c1(CNC([C@@H]2CN(c3nccs3)CCO2)=O)c(F)cccc1F less like a drug? The output molecule should be similar to the input molecule. | c1(CNC([C@@H]2CN(c3nccs3)CCO2)=O)c(F)cccc1F | c1(CNC(=O)c2ccc3ncc([C@@H]4CN(c5nccs5)CCO4)c(=O)n3n2)c(F)cccc1F | 104 | insert |
Can you make molecule n1(CC(=O)OC)cc(C=C2C(=O)N(c3cccc(F)c3)C(=O)N=C2[O-])c2ccccc12 more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | n1(CC(=O)OC)cc(C=C2C(=O)N(c3cccc(F)c3)C(=O)N=C2[O-])c2ccccc12 | n1(CC(=O)OC)cc(C=C2C(=O)N(c3[nH+]n(-c4cccc(F)c4)c(N)c3C)C(=O)N=C2[O-])c2ccccc12 | 201 | insert |
Can you make molecule Cc1c(C(N2CCCC2)=O)oc2c1-c1nn(CC(N3C[C@H](C)C[C@H](C)C3)=O)cc1CC2 more soluble in water and higher permeability? The output molecule should be similar to the input molecule. | Cc1c(C(N2CCCC2)=O)oc2c1-c1nn(CC(N3C[C@H](C)C[C@H](C)C3)=O)cc1CC2 | Cc1c(C(N2CCCC2)=O)oc2c1-c1nn([C@@]3(C)CC[NH+](N4C[C@H](C)C[C@H](C)C4)C3)cc1CC2 | 205 | replace |
Can you make molecule c1(C(=O)OCC)c(C)csc1NC(N1CCC[C@@H](OC)C1)=O less like a drug? The output molecule should be similar to the input molecule. | c1(C(=O)OCC)c(C)csc1NC(N1CCC[C@@H](OC)C1)=O | c1(C(=O)OCC)c(C)csc1NC(=O)c1cc(N2CCC[C@@H](OC)C2)c(Cl)cc1F | 104 | insert |
Can you make molecule c1(OC)cc(Cl)c(C)cc1NC(=O)CSc1nnnn1-c1cccc(F)c1 more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(OC)cc(Cl)c(C)cc1NC(=O)CSc1nnnn1-c1cccc(F)c1 | c1(OC)cc(Cl)c(C)cc1NC(=O)CSc1nnnn1-n1[nH+]c(-c2cccc(F)c2)c(C)c1N | 201 | insert |
Can you make molecule c1(CC)nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C)cc4)c3)nn12 higher permeability? The output molecule should be similar to the input molecule. | c1(CC)nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C)cc4)c3)nn12 | c1(CC)nnc2sc(-c3ccc(OC)c(N=CCCOc4ccc(C)cc4)c3)nn12 | 105 | replace |
Can you make molecule c1(OCC)ccccc1-c1cccc(C(=O)N(CCC(F)(F)F)C)c1 less soluble in water? The output molecule should be similar to the input molecule. | c1(OCC)ccccc1-c1cccc(C(=O)N(CCC(F)(F)F)C)c1 | c1(OCC)ccccc1-c1cccc(C(=O)c2cc(N(CCC(F)(F)F)C)c(F)cc2Cl)c1 | 102 | insert |
Can you make molecule c1(C[NH2+]C)cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C[NH2+]C)cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 | c1(Cc2c(O)ccc3occ([NH2+]C)c32)cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 | 202 | insert |
Can you make molecule Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C(N)=O)cn2)n1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C(N)=O)cn2)n1 | Cc1cc(C)n(-c2ccc(CNc3c(C)n(N[C@H]4CCC[C@@H]4C(N)=O)ccc3=O)cn2)n1 | 202 | replace |
Can you make molecule c1(NC(c2c(C)ncs2)=O)ccccc1[C@H](C)NC(c1scnc1C)=O less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(NC(c2c(C)ncs2)=O)ccccc1[C@H](C)NC(c1scnc1C)=O | c1(NC(c2c(C)ncs2)=O)ccccc1[C@H](C)c1cc(C)c2c(n1)nc(NC(c1scnc1C)=O)cc2 | 202 | insert |
Can you make molecule CCCC[C@@H](CNC(=O)Nc1ccc(C#N)cc1)CC more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | CCCC[C@@H](CNC(=O)Nc1ccc(C#N)cc1)CC | CCCC[C@@H](CC(=O)[C@@H](N)CNC(=O)Nc1ccc(C#N)cc1)CC | 201 | insert |
Can you make molecule Cn1c(CC(=O)NNC(c2ccc3c(c2)CCCC3)=O)nc2ccccc12 more like a drug? The output molecule should be similar to the input molecule. | Cn1c(CC(=O)NNC(c2ccc3c(c2)CCCC3)=O)nc2ccccc12 | Cn1c(CC(=O)NNC(N2CC3(CCCC3)C2)=O)nc2ccccc12 | 103 | replace |
Can you make molecule c1(OCC)ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 lower permeability? The output molecule should be similar to the input molecule. | c1(OCC)ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 | c1(On2c(C)nc(CC)c2)ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 | 106 | insert |
Can you make molecule c1(OC)ccc(Br)cc1C=CC(N1CCN(C(c2ccccc2)=O)CC1)=O less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(OC)ccc(Br)cc1C=CC(N1CCN(C(c2ccccc2)=O)CC1)=O | c1(OC)ccc(Br)cc1C=CCCC(=O)[C@H](N1CCN(C(c2ccccc2)=O)CC1)C#N | 202 | replace |
Can you make molecule [C@H]1(CC)S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O lower permeability? The output molecule should be similar to the input molecule. | [C@H]1(CC)S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O | [C@H]1(CC)S/C(=N\c2cccc(C(=O)NOC(F)(F)F)c2)NC1=O | 106 | insert |
Can you make molecule O=S(=O)(c1ccc(Cl)cc1)[N-]c1ccc2nc(C3CC3)oc2c1 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | O=S(=O)(c1ccc(Cl)cc1)[N-]c1ccc2nc(C3CC3)oc2c1 | O=S(=O)(c1ccc(Cl)cc1)[N-]c1ccc2nc(-c3nc(C)n(C4CC4)c3)oc2c1 | 107 | insert |
Can you make molecule Cc1ccc2c(c1)N(C(c1ccc(-n3ccnn3)cc1)=O)CCC2 more like a drug? The output molecule should be similar to the input molecule. | Cc1ccc2c(c1)N(C(c1ccc(-n3ccnn3)cc1)=O)CCC2 | Cc1ccc2c(c1)N(C(c1ccc(C3(C)COC3)cc1)=O)CCC2 | 103 | replace |
Can you make molecule [C@H]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)n2nc(-c3ccc(C)cc3)nc2S1 more soluble in water? The output molecule should be similar to the input molecule. | [C@H]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)n2nc(-c3ccc(C)cc3)nc2S1 | [C@H]1(c2cc(C(=O)NN)c(OC)c(OC)c2)CC(=O)n2nc(-c3ccc(C)cc3)nc2S1 | 101 | replace |
Can you make molecule C[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O with more hydrogen bond donors? The output molecule should be similar to the input molecule. | C[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O | C[C@@H]1CC[NH+](CCCNC(NNC(NN2C(=O)CNC2=O)=S)=S)C[C@@H]1O | 108 | insert |
Can you make molecule c1(-c2ccc(C(=O)[O-])nc2)c(F)cccc1F more soluble in water? The output molecule should be similar to the input molecule. | c1(-c2ccc(C(=O)[O-])nc2)c(F)cccc1F | c1(-c2ccc(C(=O)[O-])nn2)c(F)cccc1F | 101 | replace |
Can you make molecule n1(Cc2ccc(C)cc2)ncc2c(N)ncnc12 more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | n1(Cc2ccc(C)cc2)ncc2c(N)ncnc12 | n1([C@H]2N[C@@H](Cc3ccc(C)cc3)NO2)ncc2c(N)ncnc12 | 203 | insert |
Can you make molecule c1(C(=O)Nc2ccc(C(=O)OC)cc2)c(C)sc2ncnc(N3CCC[C@H](C)C3)c12 less like a drug? The output molecule should be similar to the input molecule. | c1(C(=O)Nc2ccc(C(=O)OC)cc2)c(C)sc2ncnc(N3CCC[C@H](C)C3)c12 | c1(C(=O)N[C@H]2CN(c3ccc(C(=O)OC)cc3)[C@H](C)CC2)c(C)sc2ncnc(N3CCC[C@H](C)C3)c12 | 104 | insert |
Can you make molecule c1(CC)nnc(CN(C)[C@@H](c2ccco2)C)o1 higher permeability? The output molecule should be similar to the input molecule. | c1(CC)nnc(CN(C)[C@@H](c2ccco2)C)o1 | c1(CC)nnc(CN(C)[C@@H](c2ccsc2)C)o1 | 105 | replace |
Can you make molecule Cc1cnc(S(=O)(=O)CCc2scnc2C)nc1 less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | Cc1cnc(S(=O)(=O)CCc2scnc2C)nc1 | Cc1cnc(S(=O)(=O)CCCC/C(C)=N\NC(=S)Nc2scnc2C)nc1 | 204 | insert |
Can you make molecule c1(N2[C@H](C)CCOCC2)ccc2nnc(-c3ccccc3)n2n1 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | c1(N2[C@H](C)CCOCC2)ccc2nnc(-c3ccccc3)n2n1 | c1(C(=O)NON2[C@H](C)CCOCC2)ccc2nnc(-c3ccccc3)n2n1 | 206 | insert |
Can you make molecule C(=O)(CCCC(=O)N1CCCCCC1)Nc1cc(C[NH+](C)C)n[nH]1 more soluble in water? The output molecule should be similar to the input molecule. | C(=O)(CCCC(=O)N1CCCCCC1)Nc1cc(C[NH+](C)C)n[nH]1 | C(=O)(CCCC(=O)N1CCCCCC1)Nc1cc(C[NH+]2CCC[NH+](C)CC2)n[nH]1 | 101 | replace |
Can you make molecule N1(Cc2ncc(C)nc2)C[C@@]2(CCCN(C(c3cccc(O)c3)=O)C2)CCC1=O more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | N1(Cc2ncc(C)nc2)C[C@@]2(CCCN(C(c3cccc(O)c3)=O)C2)CCC1=O | N1(CONC(c2ncc(C)nc2)=O)C[C@@]2(CCCN(C(c3cccc(O)c3)=O)C2)CCC1=O | 206 | insert |
Can you make molecule c1(COC(c2ccc(Cn3nnc4ccccc34)cc2)=O)cn2ccccc2n1 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(COC(c2ccc(Cn3nnc4ccccc34)cc2)=O)cn2ccccc2n1 | c1(N2CCc3nc(COC(c4ccc(Cn5nnc6ccccc56)cc4)=O)nc(C)c3C2)cn2ccccc2n1 | 107 | insert |
Can you make molecule C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 lower permeability? The output molecule should be similar to the input molecule. | C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 | C[C@H]1CN(c2nnc(S(=O)(=O)CC[NH2+]Cc3ccc(C(C)(C)C)cc3)n(N)c2=O)C[C@@H](C)O1 | 106 | insert |
Can you make molecule c1(C(=O)Nc2ncc(CC)s2)cc(C)n(C(C)C)c1C with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C(=O)Nc2ncc(CC)s2)cc(C)n(C(C)C)c1C | c1(C(=O)Nc2ncc(-c3nc(C)n(CC)c3)s2)cc(C)n(C(C)C)c1C | 107 | insert |
Can you make molecule O=C1OCCOc2c1cnc1cc(C(F)(F)F)ccc21 lower permeability? The output molecule should be similar to the input molecule. | O=C1OCCOc2c1cnc1cc(C(F)(F)F)ccc21 | O=C1OCCOc2c1cnc1cc(-c3nnc(C(F)(F)F)n(N)c3=O)ccc21 | 106 | insert |
Can you make molecule O=S(=O)(c1ccc(OC(F)(F)F)cc1)[N-]c1ccccc1-n1cnnn1 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | O=S(=O)(c1ccc(OC(F)(F)F)cc1)[N-]c1ccccc1-n1cnnn1 | O=S(=O)(c1ccc(OC(F)(F)F)cc1)[N-]n1c(C)nc(-c2ccccc2-n2cnnn2)c1 | 107 | insert |
Can you make molecule c1(CC)nn(C)cc1NC(=O)NCc1ccccc1OCCO less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(CC)nn(C)cc1NC(=O)NCc1ccccc1OCCO | c1(CC)nn(C)cc1NC(=O)NCc1ccccc1OSS(CCC)(=O)=O | 202 | replace |
Can you make molecule c1(CCNC([C@H](C)Oc2ccc(Br)cc2)=O)c[nH]c2ccccc12 more soluble in water? The output molecule should be similar to the input molecule. | c1(CCNC([C@H](C)Oc2ccc(Br)cc2)=O)c[nH]c2ccccc12 | c1(ON(C)CC(=O)NC([C@H](C)Oc2ccc(Br)cc2)=O)c[nH]c2ccccc12 | 101 | replace |
Can you make molecule C[C@H]1CCC[C@@H](C)N1C([C@H]1C[C@H]1c1ccccc1Cl)=O more soluble in water? The output molecule should be similar to the input molecule. | C[C@H]1CCC[C@@H](C)N1C([C@H]1C[C@H]1c1ccccc1Cl)=O | C[C@H]1CCC[C@@H](C)N1C([C@H]1NC[C@H](c2ccccc2Cl)O1)=O | 101 | replace |
Can you make molecule n1(CC)c([C@@H](O)C(F)(F)F)ccc1-c1ccc(OC)cc1 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | n1(CC)c([C@@H](O)C(F)(F)F)ccc1-c1ccc(OC)cc1 | n1(ON(C)C)c([C@@H](O)C(F)(F)F)ccc1-c1ccc(OC)cc1 | 206 | replace |
Can you make molecule C1(=Cc2cc(C)n(-c3c(C)ccc([N+](=O)[O-])c3)c2C)C(=N)N2N=C(c3ccccc3)SC2=NC1=O higher permeability? The output molecule should be similar to the input molecule. | C1(=Cc2cc(C)n(-c3c(C)ccc([N+](=O)[O-])c3)c2C)C(=N)N2N=C(c3ccccc3)SC2=NC1=O | C1(=Cc2cc(C)n(-c3c(O)ccc(C)c3)c2C)C(=N)N2N=C(c3ccccc3)SC2=NC1=O | 105 | replace |
Can you make molecule c1([C@H](CNC(c2cccc(OCC(F)F)n2)=O)O)c(F)cccc1F less like a drug? The output molecule should be similar to the input molecule. | c1([C@H](CNC(c2cccc(OCC(F)F)n2)=O)O)c(F)cccc1F | c1([C@H](CNc2ccc3ncc(C(c4cccc(OCC(F)F)n4)=O)c(=O)n3n2)O)c(F)cccc1F | 104 | insert |
Can you make molecule c1(OC)cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C[NH+]2CCCCC2)cc1=O less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | c1(OC)cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C[NH+]2CCCCC2)cc1=O | c1(OC)cn(C(=O)NNc2cc(NCc3ccc4c(c3)OCO4)ccc2Cl)c(C[NH+]2CCCCC2)cc1=O | 204 | replace |
Can you make molecule c1(C(=O)OCC)c(C)[nH]c(C(=O)C(=Cc2cccc(F)c2)C#N)c1C less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | c1(C(=O)OCC)c(C)[nH]c(C(=O)C(=Cc2cccc(F)c2)C#N)c1C | c1(C(=O)NC(=S)NN=C2CCC(OCC)CC2)c(C)[nH]c(C(=O)C(=Cc2cccc(F)c2)C#N)c1C | 204 | insert |
Can you make molecule [C@@H]1([NH+](CCC)CCC)CCC[C@H]([NH2+]C)C1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | [C@@H]1([NH+](CCC)CCC)CCC[C@H]([NH2+]C)C1 | [C@@H]1([NH+](CCC)C(=O)/N=c2/sccn2CCC)CCC[C@H]([NH2+]C)C1 | 202 | insert |
Can you make molecule [C@H]1(CC)CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 lower permeability? The output molecule should be similar to the input molecule. | [C@H]1(CC)CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 | [C@H]1(CC)CCc2c(sc(NC(=O)Nc3cccc(Cl)c3N)c2C(N)=O)C1 | 106 | replace |
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