id stringlengths 36 36 | task stringclasses 3
values | question stringlengths 104 613 | src_smiles stringlengths 8 519 | ref_smiles stringlengths 8 515 | add_group stringclasses 9
values | remove_group stringclasses 10
values |
|---|---|---|---|---|---|---|
99aae838-c7ef-40d4-a8a5-290439e06776 | add | Modify the molecule CCOC(=O)CCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)CCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21 | CCOC(=O)CC(N)Cn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21 | amine | null |
9bad734a-d186-49e5-ab5b-3e3cb9de3136 | add | Modify the molecule COc1cc([NH+]=C(N)SC)cc(OC)c1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cc([NH+]=C(N)SC)cc(OC)c1OC | COc1cc([NH+]=C(N)SC)c(-c2ccccc2)c(OC)c1OC | benzene | null |
c2acb450-58d6-4c2d-a6c7-d6957fdc1936 | add | Please add a hydroxyl to the molecule CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)C(CC)C(=O)NC1CCCC1)S(C)(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)C(CC)C(=O)NC1CCCC1)S(C)(=O)=O. | CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)C(CC)C(=O)NC1CCCC1)S(=O)(=O)CO | hydroxyl | null |
2be38955-1770-4759-9296-45af05404414 | add | Please add a hydroxyl to the molecule COc1ccc2[nH]c(C(=O)NC(C)c3nncn3C3CCCC3)cc2c1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc2[nH]c(C(=O)NC(C)c3nncn3C3CCCC3)cc2c1. | COc1cc2cc(C(=O)NC(C)c3nncn3C3CCCC3)[nH]c2cc1O | hydroxyl | null |
61b30fcb-8eb9-4d19-b149-52fd636a0c0e | add | Please add a amine to the molecule N#Cc1ccc(NCC[NH+]2CCSCC2)c(F)c1Br.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1ccc(NCC[NH+]2CCSCC2)c(F)c1Br. | N#Cc1cc(N)c(NCC[NH+]2CCSCC2)c(F)c1Br | amine | null |
28e31e6b-4235-422e-8942-a7d937405dd9 | add | Modify the molecule O=[N+]([O-])c1cc(C2CCC(c3ccc(Cl)c([N+](=O)[O-])c3)N2c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)ccc1Cl by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=[N+]([O-])c1cc(C2CCC(c3ccc(Cl)c([N+](=O)[O-])c3)N2c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)ccc1Cl | O=[N+]([O-])c1cc(C2CCC(c3cc([N+](=O)[O-])c(Cl)cc3-c3ccccc3)N2c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)ccc1Cl | benzene | null |
e5f7e618-b131-438f-994f-bca58ce21d3c | add | Modify the molecule C#Cc1ccc(C(C(=O)NCCCCC)N(CC=C)C(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | C#Cc1ccc(C(C(=O)NCCCCC)N(CC=C)C(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 | C#Cc1ccc(C(C(=O)NCCCCC)N(C(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C=C)c2ccccc2)cc1 | benzene | null |
24845e36-fd28-459f-9737-6a11cf3cab0f | add | Please add a hydroxyl to the molecule CC(C)(O)C(c1cc(F)cc(F)c1)C1C[NH+](CCCCCc2ccc(Cl)cc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(O)C(c1cc(F)cc(F)c1)C1C[NH+](CCCCCc2ccc(Cl)cc2)C1. | CC(C)(O)C(c1cc(F)cc(F)c1)C1(O)C[NH+](CCCCCc2ccc(Cl)cc2)C1 | hydroxyl | null |
65ca5436-5c13-47e2-ba8b-7741e500f0bf | add | Modify the molecule O=C1NC(c2ccc(Cl)cc2)Nc2scc(-c3ccccc3)c21 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1NC(c2ccc(Cl)cc2)Nc2scc(-c3ccccc3)c21 | O=C(O)c1sc2c(c1-c1ccccc1)C(=O)NC(c1ccc(Cl)cc1)N2 | carboxyl | null |
6dd6288a-b51c-48e3-a5b3-46e2f867f7b5 | add | Modify the molecule CCC=CCC(C)c1cc(Cl)c(OC)c(Cl)c1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC=CCC(C)c1cc(Cl)c(OC)c(Cl)c1 | CCC=CCC(C)(S)c1cc(Cl)c(OC)c(Cl)c1 | thiol | null |
bcf0b0b9-ca76-4d8d-84e8-f3614e716f85 | add | Please add a hydroxyl to the molecule Cc1ccc(C(=O)[O-])cc1NC(=O)NCCS(C)=O.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C(=O)[O-])cc1NC(=O)NCCS(C)=O. | Cc1ccc(C(=O)[O-])cc1NC(=O)NCC(O)S(C)=O | hydroxyl | null |
6b216c74-1773-471d-b94a-13be8255635a | add | Please add a aldehyde to the molecule CCC1CC[NH+](C2CCCCC2C(C)C)CC(C)C[NH2+]1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1CC[NH+](C2CCCCC2C(C)C)CC(C)C[NH2+]1. | CCC1[NH2+]CC(C)C[NH+](C2CCCCC2C(C)C)CC1CC=O | aldehyde | null |
d460b671-a59c-4731-bca7-7bdab97c8f2a | add | Modify the molecule Cc1noc(C)c1CC(=O)NCC1CC(O)C[NH+]1Cc1ccccc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1noc(C)c1CC(=O)NCC1CC(O)C[NH+]1Cc1ccccc1 | Cc1noc(C)c1CC(=O)NCC1C(N)C(O)C[NH+]1Cc1ccccc1 | amine | null |
f9aa58a5-4af2-47ca-9842-d9079b6499f2 | add | Please add a hydroxyl to the molecule CCOC(=O)C1CCC(OCC[NH+]2CCN(c3nc(N)nc4c3CCc3cc(OCc5ccc(Cl)cc5)ccc3-4)CC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C1CCC(OCC[NH+]2CCN(c3nc(N)nc4c3CCc3cc(OCc5ccc(Cl)cc5)ccc3-4)CC2)C1. | CCOC(=O)C1CCC(OCC[NH+]2CCN(c3nc(N)nc4c3C(O)Cc3cc(OCc5ccc(Cl)cc5)ccc3-4)CC2)C1 | hydroxyl | null |
f3a5c126-ca17-458e-aff3-6bfec42a5d89 | add | Modify the molecule CCOc1ccc(NCCCSCC)cc1CO by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(NCCCSCC)cc1CO | CCOc1cc(O)c(NCCCSCC)cc1CO | hydroxyl | null |
0776eed4-56e7-410f-a77a-c9f52c4d0e21 | add | Modify the molecule CC1CCN(c2ccc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2)C1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CCN(c2ccc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2)C1 | O=C(O)CC1CCN(c2ccc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2)C1 | carboxyl | null |
ddd9b0f2-95d8-49b1-9915-03c709ce5535 | add | Modify the molecule C[NH+]1CCN(c2cccc(C(=O)N3CCCCCC3)n2)CC1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1CCN(c2cccc(C(=O)N3CCCCCC3)n2)CC1 | C[NH+]1CCN(c2cccc(C(=O)N3CCCCCC3C(=O)O)n2)CC1 | carboxyl | null |
3a61589d-eb07-4c38-8f8d-457639859080 | add | Modify the molecule CC(C)(C)S(=O)NC1c2ccc(Cl)cc2-c2cc(Cl)ccc2C1NS(=O)C(C)(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)S(=O)NC1c2ccc(Cl)cc2-c2cc(Cl)ccc2C1NS(=O)C(C)(C)C | CC(C)(C)S(=O)NC1c2ccc(Cl)cc2-c2cc(Cl)cc(-c3ccccc3)c2C1NS(=O)C(C)(C)C | benzene | null |
a221ec69-71dd-4d67-8b43-c59996a30999 | add | Please add a carboxyl to the molecule CCONC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1CC.
Please wrap the final SMILES in <smiles>...</smiles>. | CCONC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1CC. | CCONC(=O)c1c(C(=O)O)nc2c(-c3ccccc3)c(C)nn2c1CC | carboxyl | null |
2098bd87-83ce-422c-8b1e-d45907851e14 | add | Modify the molecule CC[NH+](C(C)CC(=O)[O-])C(C)c1ccc(Br)cc1Cl by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH+](C(C)CC(=O)[O-])C(C)c1ccc(Br)cc1Cl | CC(N)[NH+](C(C)CC(=O)[O-])C(C)c1ccc(Br)cc1Cl | amine | null |
c27094fb-a4c3-4868-8d48-d1960e7d3165 | add | Please add a benzene ring to the molecule CC(OCC1(c2ccccc2)CCC([NH3+])C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(OCC1(c2ccccc2)CCC([NH3+])C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1. | CC(OCC1(c2ccccc2)CCC([NH3+])C(=O)N1)c1cc(C(F)(F)F)c(-c2ccccc2)c(C(F)(F)F)c1 | benzene | null |
1bc8288a-a75d-44a9-89df-357f335c8a01 | add | Modify the molecule Cc1ccc(N(c2ccc(-c3c4ccccc4c(N(c4ccc(C)cc4)C4C=Cc5cc(Br)ccc5C4)c4ccccc34)cc2)c2ccc3cc(C)ccc3c2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(N(c2ccc(-c3c4ccccc4c(N(c4ccc(C)cc4)C4C=Cc5cc(Br)ccc5C4)c4ccccc34)cc2)c2ccc3cc(C)ccc3c2)cc1 | Cc1ccc(N(c2ccc(-c3c4ccccc4c(N(c4ccc(C)cc4)C4C=Cc5cc(Br)ccc5C4)c4ccccc34)cc2)c2cc3ccc(C)cc3cc2-c2ccccc2)cc1 | benzene | null |
7a21af6b-6524-4800-bd6e-bd8bb634cf7c | add | Please add a benzene ring to the molecule CSC(=O)NN=CC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | CSC(=O)NN=CC(C)(C)C. | CSC(=O)NN=CC(C)(C)Cc1ccccc1 | benzene | null |
3bb04045-041c-4730-ac9e-283ac71e5d16 | add | Please add a amine to the molecule CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCCCCCC(=O)[O-])CCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCCCCCC(=O)[O-])CCc1ccccc1. | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC1CC(C2)C3N)C(=O)N(CCCCCCC(=O)[O-])CCc1ccccc1 | amine | null |
ea10a7f9-77a0-4077-8106-bce8e24e2b4b | add | Modify the molecule CCC(O)C(C)[NH+]1CCCCCC1C by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(O)C(C)[NH+]1CCCCCC1C | CCC(O)C(C)[NH+]1CCCCCC1(C)C#N | nitrile | null |
76b0ee8a-cc8e-4df6-9b3b-a97b76e838b6 | add | Please add a hydroxyl to the molecule Oc1ccc2c(COc3ccccc3Br)c[nH]c2c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Oc1ccc2c(COc3ccccc3Br)c[nH]c2c1. | Oc1cc(O)c2c(COc3ccccc3Br)c[nH]c2c1 | hydroxyl | null |
a2d63e1f-089c-4d0e-ab0e-3e71cf64d454 | add | Please add a hydroxyl to the molecule COc1ccc(COc2ccc(C(CC(=O)c3ccc(OCc4ccccc4)c(OC)c3)C[N+](=O)[O-])cc2OC)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(COc2ccc(C(CC(=O)c3ccc(OCc4ccccc4)c(OC)c3)C[N+](=O)[O-])cc2OC)cc1. | COc1ccc(COc2ccc(C(CC(=O)c3ccc(OCc4ccccc4)c(OC)c3)C[N+](=O)[O-])cc2OCO)cc1 | hydroxyl | null |
18cf0c53-832d-4880-bcd5-60689c122c56 | add | Modify the molecule CCC(=O)N(c1ccc(C(=O)OC)cn1)C1CCCC1c1ccc(N)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(=O)N(c1ccc(C(=O)OC)cn1)C1CCCC1c1ccc(N)cc1 | CCC(=O)N(c1ccc(C(=O)OC)cn1)C1CCC(N)C1c1ccc(N)cc1 | amine | null |
9d26a063-0d92-4b5b-8aaf-60e1bf8dcd7a | add | Please add a benzene ring to the molecule Cn1cc(CC(O)COc2cccc(Cl)c2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1cc(CC(O)COc2cccc(Cl)c2)cn1. | Cn1cc(CC(O)(COc2cccc(Cl)c2)c3ccccc3)cn1 | benzene | null |
0d4d91c0-9316-4601-83e8-91cd03a20c7a | add | Please add a hydroxyl to the molecule CC(c1ccc(OC(F)(F)F)cc1)[NH+]1CCOC(C)(C)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(c1ccc(OC(F)(F)F)cc1)[NH+]1CCOC(C)(C)C1. | CC(c1ccc(OC(F)(F)F)cc1)[NH+]1CCOC(C)(CO)C1 | hydroxyl | null |
dc356a7d-01ff-4665-89f2-986b8cc4ce25 | add | Please add a benzene ring to the molecule COc1ccc(NC(=O)CCCCCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(NC(=O)CCCCCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1. | COc1ccc(NC(=O)CCCCCN2C(=O)C(=CC=Cc3cccc(-c4ccccc4)c3)SC2=S)cc1 | benzene | null |
26095dca-a4df-42ed-b6f0-b8cb3a960ee1 | add | Modify the molecule Clc1nnc(C[NH+]2CCCC2C2CCCC2)s1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Clc1nnc(C[NH+]2CCCC2C2CCCC2)s1 | Clc1nnc(C[NH+]2CC(c3ccccc3)CC2C2CCCC2)s1 | benzene | null |
3330b990-60bd-4814-8086-72bc24433926 | add | Please add a amine to the molecule CC[NH2+]C(C)CC(=O)Cc1ccc(F)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH2+]C(C)CC(=O)Cc1ccc(F)c(Cl)c1. | CC[NH2+]C(C)CC(=O)Cc1ccc(F)c(Cl)c1N | amine | null |
28950847-641d-45c8-819a-7ea0d9c4d0e7 | add | Please add a benzene ring to the molecule Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CC3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CC3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)cc1. | Cc1ccc(-n2nc(C(C)(C)Cc3ccccc3)cc2NC(=O)Nc2ccc(CC3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)cc1 | benzene | null |
0762b297-f847-4d34-a366-ade950ff6440 | add | Please add a benzene ring to the molecule Cc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)cc1. | Cc1ccc(NC(=O)c2cncc(Nc3c(C#N)cccc3-c3ccccc3)c2)cc1 | benzene | null |
4d31b336-3784-4d92-9a45-7a1ab2bec014 | add | Please add a amine to the molecule C[NH+]=C(NCc1cccc(OC(F)F)c1)NCc1cc(C(C)C)no1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]=C(NCc1cccc(OC(F)F)c1)NCc1cc(C(C)C)no1. | C[NH+]=C(NCc1cccc(OC(F)F)c1)NCc1cc(C(C)CN)no1 | amine | null |
e80dfa2a-d50a-44f8-be7c-2a68758053c7 | add | Modify the molecule C[NH+](C)CCN1C(=O)CCC(C(=O)[O-])C1c1ccco1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+](C)CCN1C(=O)CCC(C(=O)[O-])C1c1ccco1 | C[NH+](C)CCN1C(=O)CCC(C(=O)[O-])C1c1ccc(O)o1 | hydroxyl | null |
98c55731-3fcb-4262-9582-9a9a472aa14d | add | Modify the molecule O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC(Cc1ccccc1)C(=O)Nc1ccc(N(CCc2nn[n-]n2)C(=O)[O-])cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC(Cc1ccccc1)C(=O)Nc1ccc(N(CCc2nn[n-]n2)C(=O)[O-])cc1 | O=C(C=Cc1cc(Cl)cc(C(=O)O)c1-n1cnnn1)NC(Cc1ccccc1)C(=O)Nc1ccc(N(CCc2nn[n-]n2)C(=O)[O-])cc1 | carboxyl | null |
1d666bb2-9687-4630-b48c-87861060cf33 | add | Modify the molecule Cc1cccc(C(=O)Nc2cccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCCC(C)C5)c4C)CC3)c2)c1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(C(=O)Nc2cccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCCC(C)C5)c4C)CC3)c2)c1 | Cc1cccc(C(=O)Nc2cccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCCC(C)C5)c4C)CC3S)c1 | thiol | null |
f286693b-1a66-4433-8beb-e2663074f7c2 | add | Modify the molecule CC(O)c1cc(F)ccc1OC1CCOC2(CCSC2)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(O)c1cc(F)ccc1OC1CCOC2(CCSC2)C1 | CC(O)c1cc(F)cc(O)c1OC1CCOC2(CCSC2)C1 | hydroxyl | null |
43b5fa74-4712-494c-8f3a-a38163520521 | add | Please add a hydroxyl to the molecule COc1ccc(-c2nc(NCc3ccccn3)nc3nn(C)c(N)c23)c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(-c2nc(NCc3ccccn3)nc3nn(C)c(N)c23)c(F)c1. | COc1ccc(-c2nc(NCc3ccccn3)nc3nn(CO)c(N)c23)c(F)c1 | hydroxyl | null |
a7aa3c54-d682-4ec8-82c3-0806843c2728 | add | Please add a benzene ring to the molecule COc1ccc(CN(C(=[NH+]C(=O)c2ccnc(Cl)c2)SC)c2ccc(F)c(C(F)(F)F)c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(CN(C(=[NH+]C(=O)c2ccnc(Cl)c2)SC)c2ccc(F)c(C(F)(F)F)c2)cc1. | COc1ccc(CN(C(=[NH+]C(=O)c2ccnc(Cl)c2)SC)c2cc(-c3ccccc3)c(F)c(C(F)(F)F)c2)cc1 | benzene | null |
92563644-e010-4b6b-8b7c-19bea2b2971e | add | Modify the molecule Cc1ccc(O)c(SCC(O)c2ccccc2)n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(O)c(SCC(O)c2ccccc2)n1 | Cc1ccc(O)c(SCC(O)(c2ccccc2)c2ccccc2)n1 | benzene | null |
a28e9448-d640-4978-ac03-21272e2b168b | add | Modify the molecule CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C=Cc1cccc(F)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C=Cc1cccc(F)c1 | CCOC(=O)c1c(-c2cc([N+](=O)[O-])ccc2O)csc1NC(=O)C=Cc1cccc(F)c1 | hydroxyl | null |
9e84531d-e325-49ef-aff1-f13b85dab988 | add | Modify the molecule Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NC3CCC[NH2+]C3)CC2)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NC3CCC[NH2+]C3)CC2)c1 | Cc1cc(S(=O)(=O)N2CCN(C(=O)NC3CCC[NH2+]C3)CC2)c(C)cc1-c1ccccc1 | benzene | null |
f010fd4c-73e5-48c5-a63b-1da270bd62db | add | Please add a carboxyl to the molecule CCC[NH2+]C(c1cccc(Cl)c1)c1ccncc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC[NH2+]C(c1cccc(Cl)c1)c1ccncc1Cl. | O=C(O)CCC[NH2+]C(c1cccc(Cl)c1)c1ccncc1Cl | carboxyl | null |
09b27c64-7085-4c85-a4ec-6b11fde99dde | add | Please add a benzene ring to the molecule CCCCC1(C2CC(=O)N(c3cc(F)ccc3F)C2=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCC1(C2CC(=O)N(c3cc(F)ccc3F)C2=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O. | CCCCC1(C2C(=O)N(c3cc(F)ccc3F)C(=O)C2c2ccccc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O | benzene | null |
97c068ba-c3bf-4bf0-ad02-976d81917549 | add | Please add a benzene ring to the molecule CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)c1C.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)c1C. | CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccc(OC)cc3)CC2)c1C | benzene | null |
54f32cc7-d9d2-4dd1-ba4a-2f293f6d3c15 | add | Modify the molecule Cc1noc(C2COCC[NH+]2CCC2CCCC(C)C2)n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1noc(C2COCC[NH+]2CCC2CCCC(C)C2)n1 | Cc1noc(C2COCC[NH+]2CCC2CC(C)CC(c3ccccc3)C2)n1 | benzene | null |
ad045e51-5437-4c70-9b9f-13740535dcc7 | add | Modify the molecule COCC(=O)Cc1nnn(C)n1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COCC(=O)Cc1nnn(C)n1 | COCC(=O)Cc1nnn(CC(=O)O)n1 | carboxyl | null |
87d35ec8-693f-49d4-b25f-d4deedeaf3e9 | add | Modify the molecule CN(C(=O)C[NH+]1CCN(Cc2ccccn2)CC1)C1(C#N)CCCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(C(=O)C[NH+]1CCN(Cc2ccccn2)CC1)C1(C#N)CCCCC1 | CN(C(=O)C[NH+]1CCN(Cc2ccccn2)C(c3ccccc3)C1)C1(C#N)CCCCC1 | benzene | null |
8c860147-250d-4df1-95d7-ac6136cfe875 | add | Modify the molecule COc1ccc(-c2nc(NCc3ccccc3Cl)n(C(=O)c3ccccc3OC)n2)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(-c2nc(NCc3ccccc3Cl)n(C(=O)c3ccccc3OC)n2)cc1 | COc1ccccc1C(=O)n1nc(-c2ccc(OCC(=O)O)cc2)nc1NCc1ccccc1Cl | carboxyl | null |
28a7c94d-5bc7-4523-9d4a-e6c34cf464ff | add | Please add a hydroxyl to the molecule COc1c(C2=CCc3cc(NS(C)(=O)=O)ccc3O2)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1c(C2=CCc3cc(NS(C)(=O)=O)ccc3O2)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C. | COc1c(C2=CCc3cc(NS(C)(=O)=O)ccc3O2)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)CO | hydroxyl | null |
447a6e72-94ab-46b2-ad90-3f56747dd4b8 | add | Modify the molecule Cc1cnc(C[NH2+]CC2CCCOC2)cn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cnc(C[NH2+]CC2CCCOC2)cn1 | OCc1cnc(C[NH2+]CC2CCCOC2)cn1 | hydroxyl | null |
ecc98fda-01e7-4b79-99e4-2263f669f43e | add | Modify the molecule CC(C)([NH3+])CC(P(=O)([O-])[O-])P(=O)([O-])[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)([NH3+])CC(P(=O)([O-])[O-])P(=O)([O-])[O-] | CC(C)([NH3+])C(c1ccccc1)C(P(=O)([O-])[O-])P(=O)([O-])[O-] | benzene | null |
150ba75f-d4e7-49a8-aed3-0fed3435bed4 | add | Modify the molecule CCCc1nc2c(n1-c1cc(C)ccc1OC)CC[NH2+]C2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCc1nc2c(n1-c1cc(C)ccc1OC)CC[NH2+]C2 | CCCc1nc2c(n1-c1cc(C)ccc1OC)C(O)C[NH2+]C2 | hydroxyl | null |
f3cacd95-4f45-458e-9065-6bc57033b300 | add | Please add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)c(Cl)c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)c(Cl)c2)cc1. | Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2CO)c2ccc(C)c(Cl)c2)cc1 | hydroxyl | null |
8f02c59a-f823-41bd-a969-c08dec9aec83 | add | Please add a hydroxyl to the molecule CCOC(=O)CCNc1nc2ccc(Cl)cc2s1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)CCNc1nc2ccc(Cl)cc2s1. | CCOC(=O)C(O)CNc1nc2ccc(Cl)cc2s1 | hydroxyl | null |
a00e51a4-f8b0-47cb-80ca-89fb77f6c52a | add | Please add a nitrile to the molecule COCCNC(=O)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | COCCNC(=O)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1. | COCCNC(=O)CS(=O)(=O)C1CN(S(=O)(=O)c2c(C#N)cccc2C(F)(F)F)C1 | nitrile | null |
f33f0fcb-0b87-410f-b4c9-c9fe6c4068a8 | add | Modify the molecule COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)cc1 | COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2c2ccccc2)cc1 | benzene | null |
4accf23e-1bff-4a0b-970b-611bc576e949 | add | Please add a benzene ring to the molecule O=C([O-])Cc1cn(Cc2ccno2)c2ccccc12.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])Cc1cn(Cc2ccno2)c2ccccc12. | O=C([O-])Cc1cn(C(c2ccccc2)c2ccno2)c2ccccc12 | benzene | null |
9924ec76-f12f-4009-a071-8361fceafbf3 | add | Please add a benzene ring to the molecule CCCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)[NH2+]C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCC[NH3+])C(=O)N1CCCC1C(=O)NC(C(N)=O)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)[NH2+]C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCC[NH3+])C(=O)N1CCCC1C(=O)NC(C(N)=O)C(C)C. | CCCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)([NH2+]C)c1ccccc1)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCC[NH3+])C(=O)N1CCCC1C(=O)NC(C(N)=O)C(C)C | benzene | null |
8d2dffa4-3ea6-40b9-a34d-a549bf1b7144 | add | Please add a carboxyl to the molecule CC(C)Oc1cccc(C(Cl)Cc2ccccc2F)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)Oc1cccc(C(Cl)Cc2ccccc2F)c1. | CC(C)Oc1ccc(C(=O)O)c(C(Cl)Cc2ccccc2F)c1 | carboxyl | null |
b24383b0-c6e9-4a1e-bd7a-b3de274430a2 | add | Modify the molecule COc1ccc(C=CC(=O)OC2CCC34CC35CCC36C(C)C(CCC=C(C)C)C3CCC6(C)C5CCC4C2(C)C)cc1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C=CC(=O)OC2CCC34CC35CCC36C(C)C(CCC=C(C)C)C3CCC6(C)C5CCC4C2(C)C)cc1OC | COc1ccc(C=CC(=O)OC2CCC34CC35CCC36C(C)C(CCC=C(C)C)(c7ccccc7)C3CCC6(C)C5CCC4C2(C)C)cc1OC | benzene | null |
2ca07fcf-5688-47ed-bc31-be8dfac4b58d | add | Please add a hydroxyl to the molecule CCc1ccc(NC(=O)c2ccncc2)c(C(=O)[O-])c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1ccc(NC(=O)c2ccncc2)c(C(=O)[O-])c1. | CCc1ccc(NC(=O)c2ccncc2)c(C(=O)[O-])c1O | hydroxyl | null |
69c1b856-75dd-48c4-917e-22d879b2706d | add | Please add a benzene ring to the molecule Cc1cc(Cl)ccc1SC(N)=S.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(Cl)ccc1SC(N)=S. | NC(=S)Sc1ccc(Cl)cc1Cc1ccccc1 | benzene | null |
14c76ca2-9343-4c06-ad9c-3b1e7d3316f1 | add | Please add a carboxyl to the molecule C[NH2+]CC(C)(O)c1c(OC)cnn1C.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH2+]CC(C)(O)c1c(OC)cnn1C. | C[NH2+]C(C(=O)O)C(C)(O)c1c(OC)cnn1C | carboxyl | null |
07cab2f4-cc4b-49a4-9000-86470273ce9c | add | Please add a hydroxyl to the molecule CNc1cc(COc2c(Br)cccc2OC)ccn1.
Please wrap the final SMILES in <smiles>...</smiles>. | CNc1cc(COc2c(Br)cccc2OC)ccn1. | CNc1cc(COc2c(Br)cccc2OC)c(O)cn1 | hydroxyl | null |
df67f22a-8978-4a74-9b1d-bb69193a7a06 | add | Please add a amine to the molecule COc1ccc(CCNC(=O)C2CC(c3ccccc3)CN(C(=O)COc3ccccc3)C2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(CCNC(=O)C2CC(c3ccccc3)CN(C(=O)COc3ccccc3)C2)cc1. | COc1ccc(CCNC(=O)C2CC(c3ccc(N)cc3)CN(C(=O)COc3ccccc3)C2)cc1 | amine | null |
3c5e2073-3f4c-48d3-be51-108d1b2a610e | add | Modify the molecule Cc1noc(C)c1-c1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)C(C)(O)C([NH3+])C3)ccc2F)c(F)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1noc(C)c1-c1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)C(C)(O)C([NH3+])C3)ccc2F)c(F)c1 | Cc1noc(C)c1-c1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)C(C)(O)C([NH3+])C3)cc(O)c2F)c(F)c1 | hydroxyl | null |
48a0bf0d-154b-48df-8841-2d562061be74 | add | Please add a benzene ring to the molecule CCC1C[NH+](Cc2ccc(N)c(Br)c2)CCO1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1C[NH+](Cc2ccc(N)c(Br)c2)CCO1. | CCC1C[NH+](Cc2ccc(N)c(Br)c2)C(c3ccccc3)CO1 | benzene | null |
bc1c488c-ad77-4ff4-bb40-746a8855feaf | add | Modify the molecule CCCCOCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C)(C)OC12 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCOCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C)(C)OC12 | CCCCOCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C)(CCC=O)OC12 | aldehyde | null |
87364a49-ab2d-4295-b3ac-465fc6859968 | add | Modify the molecule Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)cnn1C(C)(C)C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)cnn1C(C)(C)C | CC(C)(C)n1ncc(C(=O)Nc2ccnn2Cc2ccccc2)c1CC(=O)O | carboxyl | null |
fc2a35cb-1dec-4b4d-bc9d-22a6353b1115 | add | Please add a benzene ring to the molecule CC[NH2+]C(Cc1cc(C)nn1C)CC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH2+]C(Cc1cc(C)nn1C)CC(C)(C)C. | CC[NH2+]C(Cc1cc(C)nn1C)C(c1ccccc1)C(C)(C)C | benzene | null |
d16063b5-e1eb-4785-ba6a-f61e1cb30323 | add | Modify the molecule Cc1cc(Cl)cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(Cl)cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 | Cc1cc(Cl)cc(C(=O)N2CCC3(CC[NH2+]3)CC2S)c1 | thiol | null |
17822b12-ad6b-45c8-922c-96c18d8fcf4c | add | Modify the molecule COc1ccc(C=CC(=O)N(C=O)CCC[NH3+])cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C=CC(=O)N(C=O)CCC[NH3+])cc1 | COc1ccc(C=C(C(=O)N(C=O)CCC[NH3+])c2ccccc2)cc1 | benzene | null |
555cb38e-b1fc-4ba2-a934-341308885bd0 | add | Modify the molecule Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1C | Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1CO | hydroxyl | null |
91715e96-b2ed-4753-95c2-67472dd35420 | add | Please add a carboxyl to the molecule CCC(=O)CC(=O)OCCCCOc1ccc(CCOC2CCCCO2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(=O)CC(=O)OCCCCOc1ccc(CCOC2CCCCO2)cc1. | CCC(=O)CC(=O)OCCCC(Oc1ccc(CCOC2CCCCO2)cc1)C(=O)O | carboxyl | null |
1f1b4828-7611-4a29-bfeb-b666242dc4d9 | add | Modify the molecule COc1ccc(-c2nc(SCc3noc(-c4ccc(Cl)cc4)n3)n[nH]2)c(OC)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(-c2nc(SCc3noc(-c4ccc(Cl)cc4)n3)n[nH]2)c(OC)c1 | COc1ccc(-c2nc(SCc3noc(-c4ccc(Cl)cc4O)n3)n[nH]2)c(OC)c1 | hydroxyl | null |
e4ac61e8-62ca-4879-a81d-61df97d8951a | add | Modify the molecule Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-n2cccn2)c(C)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-n2cccn2)c(C)c1 | Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-n2cccn2)c(C)c1N | amine | null |
3f8c82b9-6713-418c-bdda-cfcab0688fd3 | add | Please add a benzene ring to the molecule O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cccn3)ncn2)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cccn3)ncn2)C1. | O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cc(-c4ccccc4)cn3)ncn2)C1 | benzene | null |
5e1506a7-c309-4148-8bc7-bf4a204a2b35 | add | Please add a thiol to the molecule CCOc1cc(N)cc(Sc2n[nH]c(=O)n2C(C)C)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1cc(N)cc(Sc2n[nH]c(=O)n2C(C)C)c1. | CCOc1cc(N)cc(Sc2n[nH]c(=O)n2C(C)(C)S)c1 | thiol | null |
e79963ae-98b3-487f-bd72-00d2786a2cac | add | Please add a nitrile to the molecule C=CC([NH3+])c1c(-c2ccccc2)[nH]c2ccccc12.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CC([NH3+])c1c(-c2ccccc2)[nH]c2ccccc12. | C=CC([NH3+])c1c(-c2ccc(C#N)cc2)[nH]c2ccccc12 | nitrile | null |
db3bf90d-3926-49cc-b0b8-7ce7e9e525c5 | add | Modify the molecule Cc1nn(C)c(C)c1C(=O)C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1nn(C)c(C)c1C(=O)C(C)C | Cc1nn(C)c(C)c1C(=O)C(C)Cc1ccccc1 | benzene | null |
2884f7d5-c203-45c0-afb8-d34439ad187e | add | Modify the molecule CSc1nc(=O)c(C(N)=O)c(Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)[nH]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CSc1nc(=O)c(C(N)=O)c(Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)[nH]1 | CSc1nc(=O)c(C(N)=O)c(Nc2cc(S(=O)(=O)N3CCCCC3)cc(-c4ccccc4)c2C)[nH]1 | benzene | null |
7b3d0fb1-9afd-47ec-82a4-27fe6da68b4a | add | Please add a nitrile to the molecule CCC1CCC[NH+](CCCC[NH2+]CC(C)C)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1CCC[NH+](CCCC[NH2+]CC(C)C)CC1. | CCC1CCC[NH+](CCCC(C#N)[NH2+]CC(C)C)CC1 | nitrile | null |
7b688059-b8eb-446d-9f3b-51dc27af62c7 | add | Please add a amine to the molecule COc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1Br.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1Br. | COc1ccc(C(=O)N(Cc2cnccc2N)C2CC2)cc1Br | amine | null |
22667bce-0ec9-4665-84a4-9ac17def6371 | add | Please add a nitrile to the molecule Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CC([NH+]4CCN(C(=O)C(C)(C)C)CC4)CC3COC3CCC(C(=O)[O-])CC3)cc2Cl)c2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CC([NH+]4CCN(C(=O)C(C)(C)C)CC4)CC3COC3CCC(C(=O)[O-])CC3)cc2Cl)c2ccccc21. | Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CC([NH+]4CCN(C(=O)C(C)(C)CC#N)CC4)CC3COC3CCC(C(=O)[O-])CC3)cc2Cl)c2ccccc21 | nitrile | null |
7a5ba7be-4717-40fe-aafe-8497da9bbc5e | add | Modify the molecule [NH3+]CC(C[NH3+])Nc1cn[nH]c(=O)c1Cl by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]CC(C[NH3+])Nc1cn[nH]c(=O)c1Cl | [NH3+]CC(C[NH3+])(Nc1cn[nH]c(=O)c1Cl)C(=O)O | carboxyl | null |
c005580f-b9a3-4b13-a9ec-eeb7a9607f1f | add | Modify the molecule O=S(=O)(Cl)CCc1cc2c(s1)CCOC2 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | O=S(=O)(Cl)CCc1cc2c(s1)CCOC2 | Nc1c(CCS(=O)(=O)Cl)sc2c1COCC2 | amine | null |
b9a9866f-950e-45ce-83b6-45f1ef389d68 | add | Please add a benzene ring to the molecule Cc1ccc(C2=COCC=C2)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C2=COCC=C2)c(Cl)c1. | Cc1cc(Cl)c(C2=COCC=C2)cc1-c1ccccc1 | benzene | null |
6d8a4ea6-6d63-43be-a8f3-96e12662b159 | add | Modify the molecule OC(C[NH2+]C1CC1)Cc1sccc1Br by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | OC(C[NH2+]C1CC1)Cc1sccc1Br | OC(C[NH2+]C1CC1)C(c1ccccc1)c1sccc1Br | benzene | null |
fa9b119d-cb8f-444e-99b3-aca3a825df3f | add | Please add a hydroxyl to the molecule O=C(NCc1ccn(C2CCCC2)n1)NCC1SCCc2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCc1ccn(C2CCCC2)n1)NCC1SCCc2ccccc21. | O=C(NCC1SCCc2ccccc21)NC(O)c1ccn(C2CCCC2)n1 | hydroxyl | null |
5d857359-1299-4951-b2b4-361929d71e71 | add | Modify the molecule CCN1CCN(C2C[NH+](Cc3ncno3)C2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN1CCN(C2C[NH+](Cc3ncno3)C2)CC1 | CCN1CCN(C2C[NH+](Cc3ncno3)C2)CC1O | hydroxyl | null |
a7c72f0a-57e9-4a8a-91d1-d4d7206f65a6 | add | Modify the molecule [NH3+]C1(c2cncc3ccccc23)Cc2ccccc2C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]C1(c2cncc3ccccc23)Cc2ccccc2C1 | [NH3+]C1(c2cncc3ccccc23)Cc2ccccc2C1O | hydroxyl | null |
09b4db6a-a45e-4949-a2ab-1ab5b6a32a0c | add | Modify the molecule [NH3+]C(CO)c1nc(C2CSCCS2)no1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]C(CO)c1nc(C2CSCCS2)no1 | [NH3+]C(CO)c1nc(C2CSCC(C(=O)O)S2)no1 | carboxyl | null |
ee5ad004-2a8d-4d58-9432-136a74c82001 | add | Modify the molecule CC(C(=O)N1CCC(CBr)CC1)C1CC1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C(=O)N1CCC(CBr)CC1)C1CC1 | CC(C(=O)N1CCC(CBr)CC1)C1(C(=O)O)CC1 | carboxyl | null |
f85e0d06-0991-403b-8e1d-e18b35d54279 | add | Please add a benzene ring to the molecule N#Cc1cccc(N2CCC3(CCCCC3)C2=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1cccc(N2CCC3(CCCCC3)C2=O)c1. | N#Cc1cc(-c2ccccc2)cc(N2CCC3(CCCCC3)C2=O)c1 | benzene | null |
ba825141-3b5f-4d55-9f3d-9e17c3dfb6af | add | Please add a amine to the molecule Cc1ccc2cc(NC(=O)CCCCNS(=O)C(C)C)ccc2n1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc2cc(NC(=O)CCCCNS(=O)C(C)C)ccc2n1. | Cc1ccc2cc(NC(=O)CCCCNS(=O)C(C)(C)N)ccc2n1 | amine | null |
3c669b1d-db3c-462b-9a3f-5bd308b9592e | add | Modify the molecule CC(C)C[Si]12C[Si]3(CC(C)C)O[Si]4(CC(C)C)C[Si]5(CC(C)C)O[Si](CC(C)C)(C[Si](CCCOC(=O)CCCCCOc6ccc(C=O)cc6)(O1)O4)O[Si](CC(C)C)(C[Si](CC(C)C)(O3)O5)O2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)C[Si]12C[Si]3(CC(C)C)O[Si]4(CC(C)C)C[Si]5(CC(C)C)O[Si](CC(C)C)(C[Si](CCCOC(=O)CCCCCOc6ccc(C=O)cc6)(O1)O4)O[Si](CC(C)C)(C[Si](CC(C)C)(O3)O5)O2 | CC(C)C[Si]12C[Si]3(CC(C)C)O[Si]4(CC(C)C)C[Si]5(CC(C)C)O[Si](CC(C)C)(C[Si](CCCOC(=O)CCCC(COc6ccc(C=O)cc6)c6ccccc6)(O1)O4)O[Si](CC(C)C)(C[Si](CC(C)C)(O3)O5)O2 | benzene | null |
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