prompt stringlengths 120 247 | completion stringlengths 12 114 | input_smiles stringlengths 19 111 | output_smiles stringlengths 12 114 | task_id int64 101 206 | winner_action dict |
|---|---|---|---|---|---|
Can you make molecule [C@H]15CC[C@H]6O1.C[C@H]4C3=O.C25=O.N3(C)C.N24.C6[NH3+] more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@H]15CC[C@H]6O1.C[C@H]4C3=O.C25=O.C13([NH3+])CN3C1.N24.C6[NH3+] | [C@H]15CC[C@H]6O1.C[C@H]4C3=O.C25=O.N3(C)C.N24.C6[NH3+] | [C@H]15CC[C@H]6O1.C[C@H]4C3=O.C25=O.C13([NH3+])CN3C1.N24.C6[NH3+] | 203 | {
"fragment_index": 0,
"new_substring": "C1&([NH3+])CN3C1",
"old_substring": "N3(C)C"
} |
Can you make molecule c14ccccc1Cl.N13CCCSCC1.C2(=O)[C@H]34.CO2 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | c14ccccc1Cl.N13CCCSCC1.N12C(=O)NC34C1=O.CO2 | c14ccccc1Cl.N13CCCSCC1.C2(=O)[C@H]34.CO2 | c14ccccc1Cl.N13CCCSCC1.N12C(=O)NC34C1=O.CO2 | 206 | {
"fragment_index": 0,
"new_substring": "N1&C(=O)NC&&C1=O",
"old_substring": "C2(=O)[C@H]34"
} |
Can you make molecule C[C@@H]1CN4CC[C@@H]1[NH3+].c16ccc(F)cc1.c15noc6n1.C45 less like a drug? The output molecule should be similar to the input molecule. | C[C@@H]1CN4CC[C@@H]1[NH3+].c16ccc(F)cc1.c15nc6cn1N.C45 | C[C@@H]1CN4CC[C@@H]1[NH3+].c16ccc(F)cc1.c15noc6n1.C45 | C[C@@H]1CN4CC[C@@H]1[NH3+].c16ccc(F)cc1.c15nc6cn1N.C45 | 104 | {
"fragment_index": 0,
"new_substring": "c1&nc&cn1N",
"old_substring": "c15noc6n1"
} |
Can you make molecule [C@@H]16C[C@H]15.CCC6.C23=O.N34C.[C@@H]47C.C17CC1.N25 more like a drug? The output molecule should be similar to the input molecule. | [C@@H]16C[C@H]15.N16CCCCCCC1.C23=O.N34C.[C@@H]47C.C17CC1.N25 | [C@@H]16C[C@H]15.CCC6.C23=O.N34C.[C@@H]47C.C17CC1.N25 | [C@@H]16C[C@H]15.N16CCCCCCC1.C23=O.N34C.[C@@H]47C.C17CC1.N25 | 103 | {
"fragment_index": 0,
"new_substring": "N1&CCCCCCC1",
"old_substring": "CCC6"
} |
Can you make molecule c13nc2n(n1)[C@@H](c1sccc1C)[C@H]1C(=O)CCCC1=N2.CS3 more soluble in water? The output molecule should be similar to the input molecule. | c13nc2n(n1)[C@@H](c1sccc1C)[C@H]1C(=O)CCCC1=N2.CCS3(=O)=O | c13nc2n(n1)[C@@H](c1sccc1C)[C@H]1C(=O)CCCC1=N2.CS3 | c13nc2n(n1)[C@@H](c1sccc1C)[C@H]1C(=O)CCCC1=N2.CCS3(=O)=O | 101 | {
"fragment_index": 0,
"new_substring": "CCS&(=O)=O",
"old_substring": "CS3"
} |
Can you make molecule c14oc5nc1S(=O)(=O)c1ccc2c(c1)OCCO2.C[C@H]1CN4C[C@@H](C)O1.c15ccccc1 more soluble in water? The output molecule should be similar to the input molecule. | c14oc5nc1S(=O)(=O)c1ccc2c(c1)OCCO2.C[C@H]1CC[NH+]14.c15ccccc1 | c14oc5nc1S(=O)(=O)c1ccc2c(c1)OCCO2.C[C@H]1CN4C[C@@H](C)O1.c15ccccc1 | c14oc5nc1S(=O)(=O)c1ccc2c(c1)OCCO2.C[C@H]1CC[NH+]14.c15ccccc1 | 101 | {
"fragment_index": 0,
"new_substring": "C[C@H]1CC[NH+]1&",
"old_substring": "C[C@H]1CN4C[C@@H](C)O1"
} |
Can you make molecule c18ccccc1.c17nccn1C.c16nccs1.C[C@H]46.C23=O.[C@H]578.N24.N35 less soluble in water? The output molecule should be similar to the input molecule. | c18ccccc1.c17nccn1C.c16nccs1.C[C@H]4[C@H](C)C6.C23=O.[C@H]578.N24.N35 | c18ccccc1.c17nccn1C.c16nccs1.C[C@H]46.C23=O.[C@H]578.N24.N35 | c18ccccc1.c17nccn1C.c16nccs1.C[C@H]4[C@H](C)C6.C23=O.[C@H]578.N24.N35 | 102 | {
"fragment_index": 0,
"new_substring": "C[C@H]&[C@H](C)C&",
"old_substring": "C[C@H]46"
} |
Can you make molecule C157CCOCC1.c16n[nH]c8c1Cl.[NH+]15CCCCC1.O=C36.C18CC1.N34.C47 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | C157CCOCC1.c16ccccc1NNC(=S)N8.[NH+]15CCCCC1.O=C36.C18CC1.N34.C47 | C157CCOCC1.c16n[nH]c8c1Cl.[NH+]15CCCCC1.O=C36.C18CC1.N34.C47 | C157CCOCC1.c16ccccc1NNC(=S)N8.[NH+]15CCCCC1.O=C36.C18CC1.N34.C47 | 108 | {
"fragment_index": 0,
"new_substring": "c1&ccccc1NNC(=S)N&",
"old_substring": "c16n[nH]c8c1Cl"
} |
Can you make molecule S2(=O)(=O)c1ccc(F)c(Cl)c1.C[C@@H]1[C@H]3CCN12.C3(=O)[O-] lower permeability? The output molecule should be similar to the input molecule. | S2(=O)(=O)c1ccc(F)c(Cl)c1.C[C@@H](CC3)CC2=O.C3(=O)[O-] | S2(=O)(=O)c1ccc(F)c(Cl)c1.C[C@@H]1[C@H]3CCN12.C3(=O)[O-] | S2(=O)(=O)c1ccc(F)c(Cl)c1.C[C@@H](CC3)CC2=O.C3(=O)[O-] | 106 | {
"fragment_index": 0,
"new_substring": "C[C@@H](CC&)CC&=O",
"old_substring": "C[C@@H]1[C@H]3CCN12"
} |
Can you make molecule N15CCN6CC1.c16cccc(Cl)c1.C[C@]47C#N.C3(=O)C5.C17CC1.N34 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | N15CCN6CC1.c16cccc(Cl)c1.C[C@]47C#N.C3(=O)C(=O)NO5.C17CC1.N34 | N15CCN6CC1.c16cccc(Cl)c1.C[C@]47C#N.C3(=O)C5.C17CC1.N34 | N15CCN6CC1.c16cccc(Cl)c1.C[C@]47C#N.C3(=O)C(=O)NO5.C17CC1.N34 | 107 | {
"fragment_index": 0,
"new_substring": "C&(=O)C(=O)NO&",
"old_substring": "C3(=O)C5"
} |
Can you make molecule c16ccc(S(=O)(=O)C(F)F)cc1.c14ccccc15.C26=O.CC3.O34.O25 less soluble in water? The output molecule should be similar to the input molecule. | c16ccc(S(=O)(=O)C(F)F)cc1.c14ccccc15.C26=O.C=CS3.O34.O25 | c16ccc(S(=O)(=O)C(F)F)cc1.c14ccccc15.C26=O.CC3.O34.O25 | c16ccc(S(=O)(=O)C(F)F)cc1.c14ccccc15.C26=O.C=CS3.O34.O25 | 102 | {
"fragment_index": 0,
"new_substring": "C=CS&",
"old_substring": "CC3"
} |
Can you make molecule N14C(=O)COCC1=O.c15ccco1.C2(=O)C4.C[C@@H]35.N23 more like a drug? The output molecule should be similar to the input molecule. | N14C(=O)COCC1=O.c15ccco1.Cc1cc2c(F)cc14.C[C@@H]35.N23 | N14C(=O)COCC1=O.c15ccco1.C2(=O)C4.C[C@@H]35.N23 | N14C(=O)COCC1=O.c15ccco1.Cc1cc2c(F)cc14.C[C@@H]35.N23 | 103 | {
"fragment_index": 0,
"new_substring": "Cc1cc&c(F)cc1&",
"old_substring": "C2(=O)C4"
} |
Can you make molecule c17cccnc13.c16nc7no1.c14ccccc1.[NH+]15CCSCC1.C[C@H]56.O34 lower permeability? The output molecule should be similar to the input molecule. | c17cccnc13.c16nc7no1.c14ccccc1.[NH+]15CCCNCC1.C[C@H]56.O34 | c17cccnc13.c16nc7no1.c14ccccc1.[NH+]15CCSCC1.C[C@H]56.O34 | c17cccnc13.c16nc7no1.c14ccccc1.[NH+]15CCCNCC1.C[C@H]56.O34 | 106 | {
"fragment_index": 0,
"new_substring": "[NH+]1&CCCNCC1",
"old_substring": "[NH+]15CCSCC1"
} |
Can you make molecule c17ccc2[nH]c(=O)[nH]c2c1.N14CC[C@@H]6C1.CC4=O.[C@H]57C.[NH2+]56 less like a drug? The output molecule should be similar to the input molecule. | c17ccc2[nH]c(=O)[nH]c2c1.N14CC[C@@H]6C1.CC4=O.[C@H]5(CBr)CC7.[NH2+]56 | c17ccc2[nH]c(=O)[nH]c2c1.N14CC[C@@H]6C1.CC4=O.[C@H]57C.[NH2+]56 | c17ccc2[nH]c(=O)[nH]c2c1.N14CC[C@@H]6C1.CC4=O.[C@H]5(CBr)CC7.[NH2+]56 | 104 | {
"fragment_index": 0,
"new_substring": "[C@H]&(CBr)CC&",
"old_substring": "[C@H]57C"
} |
Can you make molecule c19c7sc8c1C.c1%10cccc(F)c1.C39=O.C4%10=O.C58=O.C6(C)C.CO3.N47.N56 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | c19c7sc8c1C.c1%10cccc(F)c1.C39=O.N4C1=CC(=O)NC1=O.C58=O.C6(C)C.CO3.N47.N56 | c19c7sc8c1C.c1%10cccc(F)c1.C39=O.C4%10=O.C58=O.C6(C)C.CO3.N47.N56 | c19c7sc8c1C.c1%10cccc(F)c1.C39=O.N4C1=CC(=O)NC1=O.C58=O.C6(C)C.CO3.N47.N56 | 108 | {
"fragment_index": 0,
"new_substring": "N&C1=CC(=O)N&C1=O",
"old_substring": "C4%10=O"
} |
Can you make molecule C5[S@@](=O)[C@H](C)C2=O.c14ocnc15.C3C(F)(F)F.CC4C.N23 more like a drug? The output molecule should be similar to the input molecule. | C[C@H]1[C@H]5OCCN12.c14ocnc15.C3C(F)(F)F.CC4C.N23 | C5[S@@](=O)[C@H](C)C2=O.c14ocnc15.C3C(F)(F)F.CC4C.N23 | C[C@H]1[C@H]5OCCN12.c14ocnc15.C3C(F)(F)F.CC4C.N23 | 103 | {
"fragment_index": 0,
"new_substring": "C[C@H]1[C@H]&OCCN1&",
"old_substring": "C5[S@@](=O)[C@H](C)C2=O"
} |
Can you make molecule Cc1nn6c(=S)n17.C6N1CCN4CC1.c15cccs1.C45=O.C17CC1 higher permeability? The output molecule should be similar to the input molecule. | Cc1nn6c(=S)n17.C6N1CCN4CC1.c15cccs1.C4CC1=CCC[C@@H]15.C17CC1 | Cc1nn6c(=S)n17.C6N1CCN4CC1.c15cccs1.C45=O.C17CC1 | Cc1nn6c(=S)n17.C6N1CCN4CC1.c15cccs1.C4CC1=CCC[C@@H]15.C17CC1 | 105 | {
"fragment_index": 0,
"new_substring": "C&CC1=CCC[C@@H]1&",
"old_substring": "C45=O"
} |
Can you make molecule C[C@@H]1CSC(S4)=N1.c15nc6n[nH]1.c16cccs1.C45 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | C[C@@H]1CSC(S4)=N1.c15nc6n[nH]1.c16ncnc(N)c1N.C45 | C[C@@H]1CSC(S4)=N1.c15nc6n[nH]1.c16cccs1.C45 | C[C@@H]1CSC(S4)=N1.c15nc6n[nH]1.c16ncnc(N)c1N.C45 | 108 | {
"fragment_index": 0,
"new_substring": "c1&ncnc(N)c1N",
"old_substring": "c16cccs1"
} |
Can you make molecule n16cc5c7n1.[C@H]14CC(=O)N(C)C1.C35=O.C7(C)C.CC6.N34 less soluble in water? The output molecule should be similar to the input molecule. | n16cc5c7n1.[C@H]14CC(=O)N(C)C1.C35=O.C7(Cl)(Cl)Cl.CC6.N34 | n16cc5c7n1.[C@H]14CC(=O)N(C)C1.C35=O.C7(C)C.CC6.N34 | n16cc5c7n1.[C@H]14CC(=O)N(C)C1.C35=O.C7(Cl)(Cl)Cl.CC6.N34 | 102 | {
"fragment_index": 0,
"new_substring": "C&(Cl)(Cl)Cl",
"old_substring": "C7(C)C"
} |
Can you make molecule c17ccc(F)cc1F.C167CCCC1.CC1CC5C1.C46=O.N45 higher permeability? The output molecule should be similar to the input molecule. | c17ccc(F)cc1F.C167CCCC1.CC1CC5C1.C=4CC6.N45 | c17ccc(F)cc1F.C167CCCC1.CC1CC5C1.C46=O.N45 | c17ccc(F)cc1F.C167CCCC1.CC1CC5C1.C=4CC6.N45 | 105 | {
"fragment_index": 0,
"new_substring": "C=&CC&",
"old_substring": "C46=O"
} |
Can you make molecule c19ccc2ccccc2c1.[C@H]18CCCO1.C[C@H]59.N357.C34=O.C17CC1.N46.C68 higher permeability? The output molecule should be similar to the input molecule. | c19ccc2ccccc2c1.[C@H]18CCCO1.C[C@H]59.N357.C=CC[n+]1c3csc14.C17CC1.N46.C68 | c19ccc2ccccc2c1.[C@H]18CCCO1.C[C@H]59.N357.C34=O.C17CC1.N46.C68 | c19ccc2ccccc2c1.[C@H]18CCCO1.C[C@H]59.N357.C=CC[n+]1c3csc14.C17CC1.N46.C68 | 105 | {
"fragment_index": 0,
"new_substring": "C=CC[n+]1c&csc1&",
"old_substring": "C34=O"
} |
Can you make molecule N14CC[NH+](C)CC1.CC(C)[C@@H]4C5.[C@H]16C[C@@H]1C.C23=O.N25.N36 less soluble in water? The output molecule should be similar to the input molecule. | N14CC[NH+](C)CC1.CC(C)[C@@H]4C5.[C@H]16C[C@@H]1C.C2(=O)CCC3(C)C.N25.N36 | N14CC[NH+](C)CC1.CC(C)[C@@H]4C5.[C@H]16C[C@@H]1C.C23=O.N25.N36 | N14CC[NH+](C)CC1.CC(C)[C@@H]4C5.[C@H]16C[C@@H]1C.C2(=O)CCC3(C)C.N25.N36 | 102 | {
"fragment_index": 0,
"new_substring": "C&(=O)CCC&(C)C",
"old_substring": "C23=O"
} |
Can you make molecule c18coc2cc(C)ccc12.c17csc6n1.C4(=O)C7.C5(=O)C8.CO4.N56 more like a drug? The output molecule should be similar to the input molecule. | c18coc2cc(C)ccc12.C17CCN6CC1.C4(=O)C7.C5(=O)C8.CO4.N56 | c18coc2cc(C)ccc12.c17csc6n1.C4(=O)C7.C5(=O)C8.CO4.N56 | c18coc2cc(C)ccc12.C17CCN6CC1.C4(=O)C7.C5(=O)C8.CO4.N56 | 103 | {
"fragment_index": 0,
"new_substring": "C1&CCN&CC1",
"old_substring": "c17csc6n1"
} |
Can you make molecule c16noc(C)c17.[C@@H]15CCCCO1.[NH+]234.C4(C)C.CC6.C27.C35 less soluble in water? The output molecule should be similar to the input molecule. | c16noc(C)c17.[C@@H]15CC12CCC2.[NH+]234.C4(C)C.CC6.C27.C35 | c16noc(C)c17.[C@@H]15CCCCO1.[NH+]234.C4(C)C.CC6.C27.C35 | c16noc(C)c17.[C@@H]15CC12CCC2.[NH+]234.C4(C)C.CC6.C27.C35 | 102 | {
"fragment_index": 0,
"new_substring": "[C@@H]1&CC12CCC2",
"old_substring": "[C@@H]15CCCCO1"
} |
Can you make molecule C2(=O)CS(=O)(=O)c1cccc[n+]1[O-].c13ccccc15.CO3.C45.N24 more like a drug? The output molecule should be similar to the input molecule. | C2S(=O)(=O)c1cccs1.c13ccccc15.CO3.C45.N24 | C2(=O)CS(=O)(=O)c1cccc[n+]1[O-].c13ccccc15.CO3.C45.N24 | C2S(=O)(=O)c1cccs1.c13ccccc15.CO3.C45.N24 | 103 | {
"fragment_index": 0,
"new_substring": "C&S(=O)(=O)c1cccs1",
"old_substring": "C2(=O)CS(=O)(=O)c1cccc[n+]1[O-]"
} |
Can you make molecule [C@@H]18CC(=O)N(C)/C(=N\c2cccc(Cl)c2)S1.c16ccc7cc1.C48=O.CC5.O56.N47 less soluble in water? The output molecule should be similar to the input molecule. | [C@@H]18CC(=O)N(C)/C(=N\c2cccc(Cl)c2)S1.c16ccc7cc1.C48=O.C5CCCl.O56.N47 | [C@@H]18CC(=O)N(C)/C(=N\c2cccc(Cl)c2)S1.c16ccc7cc1.C48=O.CC5.O56.N47 | [C@@H]18CC(=O)N(C)/C(=N\c2cccc(Cl)c2)S1.c16ccc7cc1.C48=O.C5CCCl.O56.N47 | 102 | {
"fragment_index": 0,
"new_substring": "C&CCCl",
"old_substring": "CC5"
} |
Can you make molecule n18ccc2c(nnc3c6cnn32)c1=O.c17ccc8cc1.C56=O.CC7.O5C less soluble in water? The output molecule should be similar to the input molecule. | n18ccc2c(nnc3c6cnn32)c1=O.c17ccc8cc1.C56=O.C=CCC7.O5C | n18ccc2c(nnc3c6cnn32)c1=O.c17ccc8cc1.C56=O.CC7.O5C | n18ccc2c(nnc3c6cnn32)c1=O.c17ccc8cc1.C56=O.C=CCC7.O5C | 102 | {
"fragment_index": 0,
"new_substring": "C=CCC&",
"old_substring": "CC7"
} |
Can you make molecule N14CCN5CC1.N13CCC[C@H]6C1.c17cccnc1.O=C3C4.C6(F)(F)F.C57 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | N14CCN5CC1.N13CCC[C@H]6C1.c17cccnc1.O=C(C3)NNC(=S)N4.C6(F)(F)F.C57 | N14CCN5CC1.N13CCC[C@H]6C1.c17cccnc1.O=C3C4.C6(F)(F)F.C57 | N14CCN5CC1.N13CCC[C@H]6C1.c17cccnc1.O=C(C3)NNC(=S)N4.C6(F)(F)F.C57 | 206 | {
"fragment_index": 0,
"new_substring": "O=C(C&)NNC(=S)N&",
"old_substring": "O=C3C4"
} |
Can you make molecule n15c(=O)oc2ccccc21.c14ccc(Cl)cc1F.O=C3CCC5.N34 less soluble in water? The output molecule should be similar to the input molecule. | n15c(=O)oc2ccccc21.c14ccc(Cl)cc1F.C3CCCC5.N34 | n15c(=O)oc2ccccc21.c14ccc(Cl)cc1F.O=C3CCC5.N34 | n15c(=O)oc2ccccc21.c14ccc(Cl)cc1F.C3CCCC5.N34 | 102 | {
"fragment_index": 0,
"new_substring": "C&CCCC&",
"old_substring": "O=C3CCC5"
} |
Can you make molecule c19cc8c2ccccc2n1.c15ccc9cc16.C7C(F)(F)F.C48=O.CO5.N47.O6C lower permeability? The output molecule should be similar to the input molecule. | c19cc8c2ccccc2n1.c15nc9ccc16.C7C(F)(F)F.C48=O.CO5.N47.O6C | c19cc8c2ccccc2n1.c15ccc9cc16.C7C(F)(F)F.C48=O.CO5.N47.O6C | c19cc8c2ccccc2n1.c15nc9ccc16.C7C(F)(F)F.C48=O.CO5.N47.O6C | 106 | {
"fragment_index": 0,
"new_substring": "c1&nc&ccc1&",
"old_substring": "c15ccc9cc16"
} |
Can you make molecule Cc1ccc(S6(=O)=O)cc1C.N15CCCc2ccccc21.N16CCC7CC1.C57=O more soluble in water? The output molecule should be similar to the input molecule. | Cc1ccc(S6(=O)=O)cc1C.N15CCCc2ccccc21.N16CCC7(O)CC1.C57=O | Cc1ccc(S6(=O)=O)cc1C.N15CCCc2ccccc21.N16CCC7CC1.C57=O | Cc1ccc(S6(=O)=O)cc1C.N15CCCc2ccccc21.N16CCC7(O)CC1.C57=O | 101 | {
"fragment_index": 0,
"new_substring": "N1&CCC&(O)CC1",
"old_substring": "N16CCC7CC1"
} |
Can you make molecule c15cc7nn1C.c16cccs1.C2(=O)C3=O.C7C(C)(C)C.CN24.C4C6.N35 more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | c15cc7nn1C.c16cnc(NN)s1.C2(=O)C3=O.C7C(C)(C)C.CN24.C4C6.N35 | c15cc7nn1C.c16cccs1.C2(=O)C3=O.C7C(C)(C)C.CN24.C4C6.N35 | c15cc7nn1C.c16cnc(NN)s1.C2(=O)C3=O.C7C(C)(C)C.CN24.C4C6.N35 | 203 | {
"fragment_index": 0,
"new_substring": "c1&cnc(NN)s1",
"old_substring": "c16cccs1"
} |
Can you make molecule S4(=O)(=O)c1ccc(F)c(F)c1.N15CCN4CC1.C[C@H]1CC[C@@H]5C1 less soluble in water? The output molecule should be similar to the input molecule. | S4(=O)(=O)c1ccc(F)c(F)c1.S5N1CCN4CC1.C[C@H]1CC[C@@H]5C1 | S4(=O)(=O)c1ccc(F)c(F)c1.N15CCN4CC1.C[C@H]1CC[C@@H]5C1 | S4(=O)(=O)c1ccc(F)c(F)c1.S5N1CCN4CC1.C[C@H]1CC[C@@H]5C1 | 102 | {
"fragment_index": 0,
"new_substring": "S&N1CCN&CC1",
"old_substring": "N15CCN4CC1"
} |
Can you make molecule N#Cc1c(F)ccc5c1F.c16ccc(Cl)cc1.C34=O.N35.N46 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | N#Cc1c(F)ccc5c1F.c16ccc(Cl)cc1.C34=O.Nc1nc3nn15.N46 | N#Cc1c(F)ccc5c1F.c16ccc(Cl)cc1.C34=O.N35.N46 | N#Cc1c(F)ccc5c1F.c16ccc(Cl)cc1.C34=O.Nc1nc3nn15.N46 | 107 | {
"fragment_index": 0,
"new_substring": "Nc1nc&nn1&",
"old_substring": "N35"
} |
Can you make molecule c14ccc5cc1.[NH+]16CCC[C@H]18.c18cc7on1.C3C6.C7(C)C.CO4.O35 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | c14ccc5cc1.CC/[NH+]=C(\N6)N8.c18cc7on1.C3C6.C7(C)C.CO4.O35 | c14ccc5cc1.[NH+]16CCC[C@H]18.c18cc7on1.C3C6.C7(C)C.CO4.O35 | c14ccc5cc1.CC/[NH+]=C(\N6)N8.c18cc7on1.C3C6.C7(C)C.CO4.O35 | 108 | {
"fragment_index": 0,
"new_substring": "CC/[NH+]=C(\\N&)N&",
"old_substring": "[NH+]16CCC[C@H]18"
} |
Can you make molecule [C@H]17CCCC[NH+]16.c18ccccc1.C23=O.CC4.N24.N35.C57.C68 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@H]17CCCC[NH+]16.c18ccccc1.C23=O.CC4(CO)CO.N24.N35.C57.C68 | [C@H]17CCCC[NH+]16.c18ccccc1.C23=O.CC4.N24.N35.C57.C68 | [C@H]17CCCC[NH+]16.c18ccccc1.C23=O.CC4(CO)CO.N24.N35.C57.C68 | 108 | {
"fragment_index": 0,
"new_substring": "CC&(CO)CO",
"old_substring": "CC4"
} |
Can you make molecule c15nc7n2ccccc12.c16cnc2ccccc2c1.C[C@H]46.C35=O.C17CC1.O34 more soluble in water? The output molecule should be similar to the input molecule. | c15nc7n2ccccc12.c16cnc2ccccc2c1.C[C@H]46.C3(=O)NNC5=O.C17CC1.O34 | c15nc7n2ccccc12.c16cnc2ccccc2c1.C[C@H]46.C35=O.C17CC1.O34 | c15nc7n2ccccc12.c16cnc2ccccc2c1.C[C@H]46.C3(=O)NNC5=O.C17CC1.O34 | 101 | {
"fragment_index": 0,
"new_substring": "C&(=O)NNC&=O",
"old_substring": "C35=O"
} |
Can you make molecule C4(=O)NN=C(c1ccccc1)c1ccccc1.N13CCC4CC1.CCCC3=O more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | C4(=O)NN=C(c1ccccc1)c1ccccc1.N13C[NH+]4CN=C1S.CCCC3=O | C4(=O)NN=C(c1ccccc1)c1ccccc1.N13CCC4CC1.CCCC3=O | C4(=O)NN=C(c1ccccc1)c1ccccc1.N13C[NH+]4CN=C1S.CCCC3=O | 203 | {
"fragment_index": 0,
"new_substring": "N1&C[NH+]&CN=C1S",
"old_substring": "N13CCC4CC1"
} |
Can you make molecule C=6c1cn7nc18.c18ccc(F)cc1.N15CCCS1(=O)=O.c17ccccc1.O=C3C=6.C4C5.N34 less soluble in water? The output molecule should be similar to the input molecule. | C=6c1cn7nc18.c18ccc(F)c(Cl)c1.N15CCCS1(=O)=O.c17ccccc1.O=C3C=6.C4C5.N34 | C=6c1cn7nc18.c18ccc(F)cc1.N15CCCS1(=O)=O.c17ccccc1.O=C3C=6.C4C5.N34 | C=6c1cn7nc18.c18ccc(F)c(Cl)c1.N15CCCS1(=O)=O.c17ccccc1.O=C3C=6.C4C5.N34 | 102 | {
"fragment_index": 0,
"new_substring": "c1&ccc(F)c(Cl)c1",
"old_substring": "c18ccc(F)cc1"
} |
Can you make molecule Cc1ccc6nc1.[C@H]16CN4CCO1.c15ccc(Cl)cc1.C45=O less like a drug? The output molecule should be similar to the input molecule. | Cc1ccc6nc1.[C@H]16CN4CCO1.c15cc2sc(Cl)cc2s1.C45=O | Cc1ccc6nc1.[C@H]16CN4CCO1.c15ccc(Cl)cc1.C45=O | Cc1ccc6nc1.[C@H]16CN4CCO1.c15cc2sc(Cl)cc2s1.C45=O | 104 | {
"fragment_index": 0,
"new_substring": "c1&cc2sc(Cl)cc2s1",
"old_substring": "c15ccc(Cl)cc1"
} |
Can you make molecule O=C1NC(=S)NC(=O)C1=CN2.c12ccc([N+](=O)[O-])cc1O with more hydrogen bond donors? The output molecule should be similar to the input molecule. | O=C1NC(=S)NC(=O)C1=CN2.c12c(O)cc(O)cc1O | O=C1NC(=S)NC(=O)C1=CN2.c12ccc([N+](=O)[O-])cc1O | O=C1NC(=S)NC(=O)C1=CN2.c12c(O)cc(O)cc1O | 108 | {
"fragment_index": 0,
"new_substring": "c1&c(O)cc(O)cc1O",
"old_substring": "c12ccc([N+](=O)[O-])cc1O"
} |
Can you make molecule [C@@]15(C)Oc2ccccc2NC1=O.C14CCCCC1.CN34.C35=O with more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@@]15(C)Oc2ccccc2NC1=O.C14CCCCC1.C3(=O)NNC4=O.C35=O | [C@@]15(C)Oc2ccccc2NC1=O.C14CCCCC1.CN34.C35=O | [C@@]15(C)Oc2ccccc2NC1=O.C14CCCCC1.C3(=O)NNC4=O.C35=O | 108 | {
"fragment_index": 0,
"new_substring": "C&(=O)NNC&=O",
"old_substring": "CN34"
} |
Can you make molecule CC1(C)C[C@@](C)(O)N3C(=S)N1.c14cccc5c1.C5(F)(F)F.C34 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | CC1(C)C[C@@](C)(O)N3C(=S)N1.c14cccc5c1.C5S(=O)(=O)C(F)F.C34 | CC1(C)C[C@@](C)(O)N3C(=S)N1.c14cccc5c1.C5(F)(F)F.C34 | CC1(C)C[C@@](C)(O)N3C(=S)N1.c14cccc5c1.C5S(=O)(=O)C(F)F.C34 | 107 | {
"fragment_index": 0,
"new_substring": "C&S(=O)(=O)C(F)F",
"old_substring": "C5(F)(F)F"
} |
Can you make molecule [C@H]19CCCN5C1.c1%11ccccc1.C1%10%11CC1.CC4=O.C56=O.N47.C79.N68.C8%10 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | [C@H]19CCCN5C1.c1%11ccccc1.C1%10%11CC1.C/C=N/O4.C56=O.N47.C79.N68.C8%10 | [C@H]19CCCN5C1.c1%11ccccc1.C1%10%11CC1.CC4=O.C56=O.N47.C79.N68.C8%10 | [C@H]19CCCN5C1.c1%11ccccc1.C1%10%11CC1.C/C=N/O4.C56=O.N47.C79.N68.C8%10 | 107 | {
"fragment_index": 0,
"new_substring": "C/C=N/O&",
"old_substring": "CC4=O"
} |
Can you make molecule c18ccc9cc1.c17ccc%10cc1.c1%10nccnc16.N16CCCCC1.C47=O.CC8.C59.N45 higher permeability? The output molecule should be similar to the input molecule. | c18ccc9cc1.c17ccc%10cc1.c1%10nccnc16.N16CCCCC1.C=4CC7.CC8.C59.N45 | c18ccc9cc1.c17ccc%10cc1.c1%10nccnc16.N16CCCCC1.C47=O.CC8.C59.N45 | c18ccc9cc1.c17ccc%10cc1.c1%10nccnc16.N16CCCCC1.C=4CC7.CC8.C59.N45 | 105 | {
"fragment_index": 0,
"new_substring": "C=&CC&",
"old_substring": "C47=O"
} |
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