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 |
|---|---|---|---|---|---|---|
cf511a7a-4c5d-4595-915d-bf36c28e3ef6 | delete | Please remove a hydroxyl from the molecule OCCCC[NH2+]CC(O)c1ccc(F)c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | OCCCC[NH2+]CC(O)c1ccc(F)c(F)c1. | OCCCC[NH2+]CCc1ccc(F)c(F)c1 | null | hydroxyl |
c6ed8ca6-f77a-430c-bb89-5d4a578228a3 | delete | Please remove a amine from the molecule C[NH+]1C(C)(C)CC(Nc2nc(Nc3ccc(OC4CC[NH+](CCF)CC4)c(OC(F)F)c3)ncc2F)CC1(C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1C(C)(C)CC(Nc2nc(Nc3ccc(OC4CC[NH+](CCF)CC4)c(OC(F)F)c3)ncc2F)CC1(C)C. | C[NH+]1C(C)(C)CC(Nc2nc(-c3ccc(OC4CC[NH+](CCF)CC4)c(OC(F)F)c3)ncc2F)CC1(C)C | null | amine |
12c66150-6b1e-4422-88a7-d17a35ff9377 | delete | Modify the molecule CC(C)=CC(NN)C1CCc2ccccc21 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)=CC(NN)C1CCc2ccccc21 | CC(C)=CC(N)C1CCc2ccccc21 | null | amine |
4e828010-586e-4f27-9e13-6210fdb40b0f | delete | Modify the molecule COc1ccccc1COCCCOc1ccc(C2C(O)CN(OC(=O)OC(C)(C)C)CC2O)cc1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccccc1COCCCOc1ccc(C2C(O)CN(OC(=O)OC(C)(C)C)CC2O)cc1 | COc1ccccc1COCCCOc1ccc(C2CCN(OC(=O)OC(C)(C)C)CC2O)cc1 | null | hydroxyl |
1e4c12c3-0695-45e9-8b3f-af7d3a7c52c2 | delete | Please remove a nitrile from the molecule CC(C)C(C)(C)[Si](C)(C)OCN1C=CC(c2ccccc2)C(C#N)=C1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)C(C)(C)[Si](C)(C)OCN1C=CC(c2ccccc2)C(C#N)=C1. | CC(C)C(C)(C)[Si](C)(C)OCN1C=CC(c2ccccc2)C=C1 | null | nitrile |
ea429b2a-101b-4479-8614-b4136091388f | delete | Please remove a amine from the molecule CCOP(=O)(OCC)C1C=CCNN1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOP(=O)(OCC)C1C=CCNN1. | CCOP(=O)(OCC)C1C=CCN1 | null | amine |
65cbeeb4-e6c5-47b7-9dc6-46971b773da7 | delete | Modify the molecule C[NH+]1CCc2c([nH]c3cc(-n4ccc(OCc5ccc(C(F)(F)F)cc5)cc4=O)ccc23)C1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1CCc2c([nH]c3cc(-n4ccc(OCc5ccc(C(F)(F)F)cc5)cc4=O)ccc23)C1 | C[NH+]1CCc2c([nH]c3cc(-n4ccc(OCC(F)(F)F)cc4=O)ccc23)C1 | null | benzene |
3666dccc-7636-418e-ae78-8200818b966f | delete | Modify the molecule C[NH+]1CCN(c2ccc(-c3cc(NCCc4cccc5c4OCC54CC4)ncn3)cn2)CC1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1CCN(c2ccc(-c3cc(NCCc4cccc5c4OCC54CC4)ncn3)cn2)CC1 | C[NH+]1CCN(c2ccc(-c3cc(CCc4cccc5c4OCC54CC4)ncn3)cn2)CC1 | null | amine |
63af360b-1b95-4fe3-8910-3c8fd10d0953 | delete | Modify the molecule O=C1CC[NH+](Cc2ccccc2C(F)(F)F)CCN1CC[NH+]1CCCCC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1CC[NH+](Cc2ccccc2C(F)(F)F)CCN1CC[NH+]1CCCCC1 | FC(F)(F)c1ccccc1C[NH+]1CC(CC[NH+]2CCCCC2)C1 | null | amide |
c4e14328-6239-4802-8186-e80e39bfc5a8 | delete | Modify the molecule CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2C1c1ccccc1OC(C)C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2C1c1ccccc1OC(C)C | CCOC(=O)C1=C(C)N=c2sc(=C(OI)OCC)c(=O)n2C1c1ccccc1OC(C)C | null | benzene |
8c67f570-e2ee-41af-a6e4-4ea3125bcd1e | delete | Modify the molecule CC(C)CCS(=O)(=O)Nc1cccc2ccccc12 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CCS(=O)(=O)Nc1cccc2ccccc12 | CC(C)CCS(=O)(=O)c1cccc2ccccc12 | null | amine |
fb212b5c-7d36-4ac6-a168-b10b744d29f1 | delete | Modify the molecule O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCC1(c2ccc(Cl)cc2)CCOCC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCC1(c2ccc(Cl)cc2)CCOCC1 | O=C1CCc2cc(OCCCC3(c4ccc(Cl)cc4)CCOCC3)ccc2N1 | null | amide |
49ddfb5d-6a43-476d-82a5-2115ac6966ba | delete | Please remove a amide from the molecule CCC1NC(=O)C(C)N(C(C)Cc2ccco2)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1NC(=O)C(C)N(C(C)Cc2ccco2)C1=O. | CCC1(C)C(=O)N1C(C)Cc1ccco1 | null | amide |
e8ff3414-7a8c-44c6-9323-5171a3fd37d3 | delete | Modify the molecule C#CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3cccc(N)c3)CSC12)c1csc(N)n1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | C#CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3cccc(N)c3)CSC12)c1csc(N)n1 | C#CCON=C(C(=O)NC1SCC(C[n+]2cccc(N)c2)=C1C(=O)O)c1csc(N)n1 | null | amide |
d0532ef0-548c-40ac-9558-19ca9a0f2eb4 | delete | Please remove a hydroxyl from the molecule C=C1CCC2C(C)(CCC=C(C)C)C(OC(=O)C(O)C(C)CC)CCC2(C)C1Cc1c(OC)oc(C)c(C)c1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | C=C1CCC2C(C)(CCC=C(C)C)C(OC(=O)C(O)C(C)CC)CCC2(C)C1Cc1c(OC)oc(C)c(C)c1=O. | C=C1CCC2C(C)(CCC=C(C)C)C(OC(=O)CC(C)CC)CCC2(C)C1Cc1c(OC)oc(C)c(C)c1=O | null | hydroxyl |
5d54d081-d836-4072-b9bb-b2adf4a8b72c | delete | Please remove a halo from the molecule Cc1cc(-n2c(C)c(C(=O)NCc3cccc(F)c3C3CC3)c3cccc(F)c3c2=O)no1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(-n2c(C)c(C(=O)NCc3cccc(F)c3C3CC3)c3cccc(F)c3c2=O)no1. | Cc1cc(-n2c(C)c(C(=O)NCc3ccccc3C3CC3)c3cccc(F)c3c2=O)no1 | null | halo |
829c7c30-3c29-455b-bf01-cd3f60876942 | delete | Please remove a amide from the molecule CCCCCCCN(C(=O)C(CS)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc2ccccc2c1)c1ccc(O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCN(C(=O)C(CS)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc2ccccc2c1)c1ccc(O)cc1. | CCCCCCCC(C(=O)Nc1ccc2ccccc2c1)(c1ccc(O)cc1)C(S)NC(=O)OC(C)(C)C | null | amide |
1bf9a381-d650-4804-ba58-1f19e2cf1f20 | delete | Please remove a nitrile from the molecule CN(CCC#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(CCC#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1. | CCN(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 | null | nitrile |
dbe25e5b-3c91-4bd8-b29f-e581bf568396 | delete | Please remove a halo from the molecule O=C([O-])CCS(=O)(=O)N1CCN(CC(F)(F)F)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])CCS(=O)(=O)N1CCN(CC(F)(F)F)CC1. | O=C([O-])CCS(=O)(=O)N1CCN(CC)CC1 | null | halo |
38222995-d145-43e2-8cb0-8e156b307f84 | delete | Modify the molecule CC(O)C(C)[NH2+]C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(O)C(C)[NH2+]C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1 | CCC(C)[NH2+]C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1 | null | hydroxyl |
016dcb96-8a74-4039-8fa6-d0b0077d17fa | delete | Please remove a amine from the molecule COc1ccc2[nH]cc(CCNN(c3ccccc3)S(=O)[O-])c2c1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc2[nH]cc(CCNN(c3ccccc3)S(=O)[O-])c2c1. | COc1ccc2[nH]cc(CCN(c3ccccc3)S(=O)[O-])c2c1 | null | amine |
a6f988b1-f469-4d8d-a897-c8f5c77c95e7 | delete | Please remove a halo from the molecule COC1CN(c2ccc(N)cc2C(F)F)CCC1C.
Please wrap the final SMILES in <smiles>...</smiles>. | COC1CN(c2ccc(N)cc2C(F)F)CCC1C. | COC1CN(c2ccc(N)cc2CF)CCC1C | null | halo |
abab656d-2218-4a81-8ec5-b5441b584b63 | delete | Modify the molecule COc1cccc(OCC(=O)C(Cc2c[nH]c3ccccc23)C([NH3+])NC(=O)CCc2ccccc2OC)c1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cccc(OCC(=O)C(Cc2c[nH]c3ccccc23)C([NH3+])NC(=O)CCc2ccccc2OC)c1 | COc1cccc(OCC(=O)C(Cc2c[nH]c3ccccc23)C([NH3+])Cc2ccccc2OC)c1 | null | amide |
ae0aa973-c6b6-4e0f-810e-c3c6c44a9080 | delete | Modify the molecule CC(=O)N1CCc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc21 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)N1CCc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc21 | CC(=O)N1CCc2cc(C(=O)N(CC#N)CC[NH+](C)C)ccc21 | null | benzene |
c0f1ae35-8450-4ea9-afa4-00bb0946a975 | delete | Modify the molecule N#CNC(=NCCCCCCN(CCC[NH+]1CCOCC1)S(=O)(=O)C1CCCCC1)Nc1cc[nH+]cc1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CNC(=NCCCCCCN(CCC[NH+]1CCOCC1)S(=O)(=O)C1CCCCC1)Nc1cc[nH+]cc1 | NC(=NCCCCCCN(CCC[NH+]1CCOCC1)S(=O)(=O)C1CCCCC1)Nc1cc[nH+]cc1 | null | nitrile |
8f321996-5331-4d5e-b27c-53149c607040 | delete | Please remove a benzene ring from the molecule Cc1cc(C)cc(OCC(=O)c2coc3ccccc23)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C)cc(OCC(=O)c2coc3ccccc23)c1. | CCOCC(=O)c1coc2ccccc12 | null | benzene |
467b5aee-834d-40f3-9ef7-ba50b72a1870 | delete | Please remove a amine from the molecule Cc1ccc(-c2cnccc2-c2cnc(Nc3cccc(F)c3)s2)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(-c2cnccc2-c2cnc(Nc3cccc(F)c3)s2)c(Cl)c1. | Cc1ccc(-c2cnccc2-c2cnc(-c3cccc(F)c3)s2)c(Cl)c1 | null | amine |
7ed3eba4-f0c2-4505-add6-bfe1bc35dc00 | delete | Modify the molecule CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2c(nnc2-c2ccc(OC)cc2)S1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2c(nnc2-c2ccc(OC)cc2)S1 | CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2c(OC)nnc2S1 | null | benzene |
7a6fbeba-0cca-4781-bdd5-641530785df2 | delete | Please remove a halo from the molecule CCOC(=O)c1cnn(Cc2cc(Br)ccc2F)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)c1cnn(Cc2cc(Br)ccc2F)c1. | CCOC(=O)c1cnn(Cc2ccccc2F)c1 | null | halo |
b2c1be2b-edcb-4cba-88f1-81be1ad237d3 | delete | Modify the molecule CN(C(=O)NC(CCC(N)=O)C(=O)[O-])C1CCC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(C(=O)NC(CCC(N)=O)C(=O)[O-])C1CCC1 | CC(NC(=O)N(C)C1CCC1)C(=O)[O-] | null | amide |
1470cb30-fe4e-4b5f-b23c-99350f1dc42e | delete | Please remove a amine from the molecule CC(O)(CNc1nc(-c2ccccc2)c2ccccc2n1)c1ccco1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(O)(CNc1nc(-c2ccccc2)c2ccccc2n1)c1ccco1. | CC(O)(Cc1nc(-c2ccccc2)c2ccccc2n1)c1ccco1 | null | amine |
409e85e6-d1c0-46cc-a6ef-9e56c3bdc552 | delete | Please remove a benzene ring from the molecule CC(C)C[NH2+]CC(O)c1ccc(O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)C[NH2+]CC(O)c1ccc(O)cc1. | CC(C)C[NH2+]CC(O)O | null | benzene |
cbe9e9c5-5d8d-4d20-8a6f-dad2c6c75885 | delete | Modify the molecule CCOc1ccc(-c2noc(C3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(-c2noc(C3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 | CCOc1ccc(-c2noc(C3CC(=O)N(c4ccccc4)C3)n2)cc1 | null | halo |
f46f6ab6-7aa4-4b58-9be6-a965800629bd | delete | Please remove a amine from the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cn3c(C(=O)O)c[n+]4ccccc34)CSC12)c1csc(N)n1.
Please wrap the final SMILES in <smiles>...</smiles>. | CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cn3c(C(=O)O)c[n+]4ccccc34)CSC12)c1csc(N)n1. | CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cn3c(C(=O)O)c[n+]4ccccc34)CSC12)c1cscn1 | null | amine |
2c630701-7d0f-48ab-ae42-166fda1bece1 | delete | Modify the molecule CCOc1ccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc1OC by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc1OC | CCOc1ccc(C(=O)Oc2c(C)nn(C)c2C)cc1OC | null | amide |
27deec2c-69a1-4e7e-878b-f71eee09232a | delete | Please remove a benzene ring from the molecule CC(C)(C)c1ccc(NC(=O)CCC(=O)NC2CCC(Cc3ccccc3)([NH+]3CCOCC3)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)c1ccc(NC(=O)CCC(=O)NC2CCC(Cc3ccccc3)([NH+]3CCOCC3)CC2)cc1. | CC(C)(C)c1ccc(NC(=O)CCC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)cc1 | null | benzene |
6d5ddcdc-49c7-4d1b-8ed0-49fd7c70c175 | delete | Please remove a benzene ring from the molecule Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)O3)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)O3)CC1. | CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)O3)CC1 | null | benzene |
c95a8fce-9df6-4eef-bb52-44147842f9ec | delete | Modify the molecule CCN(CC1CC1)CC([NH2+]C)c1cccc(C(F)(F)F)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(CC1CC1)CC([NH2+]C)c1cccc(C(F)(F)F)c1 | CCN(CC1CC1)CC([NH2+]C)C(F)(F)F | null | benzene |
7b6eed2b-6cb7-45db-b5af-2da5edbe0896 | delete | Please remove a benzene ring from the molecule Cc1cc(NC(=O)c2cccc(OC(F)F)c2)nn1Cc1ccc(Cl)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(NC(=O)c2cccc(OC(F)F)c2)nn1Cc1ccc(Cl)cc1. | Cc1cc(NC(=O)c2cccc(OC(F)F)c2)nn1CCl | null | benzene |
99e30232-a8e3-41f7-8400-f91870f2cd8b | delete | Modify the molecule S=c1c2[nH]cnc2ncn1CCCS by removing a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | S=c1c2[nH]cnc2ncn1CCCS | CCCn1cnc2nc[nH]c2c1=S | null | thiol |
3005e1e4-838d-4ef4-bf22-ac523c6ff5c8 | delete | Modify the molecule O=C([O-])CCCNC(=O)NC1CCOc2ccc(Br)cc21 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])CCCNC(=O)NC1CCOc2ccc(Br)cc21 | O=C([O-])CCCNC(=O)NC1CCOc2ccccc21 | null | halo |
f4560c39-e400-453b-b98f-195a1fbf366e | delete | Modify the molecule CC(C)(C)C1CCCCN1c1cc[nH+]c(Cl)c1N by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)C1CCCCN1c1cc[nH+]c(Cl)c1N | CC(C)(C)C1CCCCN1c1cc[nH+]cc1N | null | halo |
dcd8be78-5162-4daf-8dc4-80db039ba1b6 | delete | Please remove a halo from the molecule CC(C(=O)Nc1cc(F)cc(Cl)c1)C(N)=S.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C(=O)Nc1cc(F)cc(Cl)c1)C(N)=S. | CC(C(=O)Nc1cccc(F)c1)C(N)=S | null | halo |
9c78ea63-0d9a-463c-a2ab-8211f9b699c6 | delete | Please remove a halo from the molecule CC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCS1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCS1. | CC1(c2nc3ccc(C(F)F)cc3[nH]2)CCCS1 | null | halo |
83a5c03f-18a6-4400-8fbe-9ccd7fbdd8dd | delete | Please remove a benzene ring from the molecule COC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCCC2.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCCC2. | COC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)OC)sc2c1CCCCC2 | null | benzene |
66f37683-c3b3-4406-84ba-fcdfa1fcad37 | delete | Please remove a amide from the molecule CN(C)C(=O)c1ccc(N)cc1NCCCn1cccn1.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(C)C(=O)c1ccc(N)cc1NCCCn1cccn1. | Nc1ccc(NCCCn2cccn2)cc1 | null | amide |
825f6d9f-7d48-4803-a98c-8bcdbd318bd5 | delete | Please remove a benzene ring from the molecule CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C=Cc2cccc(C(F)(F)F)c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C=Cc2cccc(C(F)(F)F)c2)cc1. | CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C=CC(F)(F)F)cc1 | null | benzene |
69a04ce5-4ced-48d0-bae7-b45aeea82d5e | delete | Modify the molecule Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2ccc(F)c(NC(=O)c3ccccc3F)c2)CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2ccc(F)c(NC(=O)c3ccccc3F)c2)CC1 | Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(NC(=O)c3ccccc3F)c2)CC1 | null | halo |
1c852b91-f532-42b2-b11e-21a0bf364cb2 | delete | Please remove a amine from the molecule CCNC(NC1CCCC1)=[NH+]CCc1ccco1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNC(NC1CCCC1)=[NH+]CCc1ccco1. | CCNC(CCc1ccco1)NC1CCCC1 | null | amine |
49d8b8fb-7f86-4cbc-8f00-905521a36552 | delete | Modify the molecule O=C1Nc2cccc3c2C1C(c1ccc([N+](=O)[O-])cc1)[NH+](Cc1ccccc1)CC3 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1Nc2cccc3c2C1C(c1ccc([N+](=O)[O-])cc1)[NH+](Cc1ccccc1)CC3 | C[NH+]1CCc2cccc3c2C(C(=O)N3)C1c1ccc([N+](=O)[O-])cc1 | null | benzene |
b8fcee31-dd31-4d1d-b2a3-7d3e2319c847 | delete | Please remove a hydroxyl from the molecule O=C(O)C(CO)[P+](=O)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(O)C(CO)[P+](=O)c1ccccc1. | CC(C(=O)O)[P+](=O)c1ccccc1 | null | hydroxyl |
28f1afca-b91c-4ee8-ada8-3b0e01014293 | delete | Modify the molecule O=C(NCCCC(=O)N(Cc1ccccc1)CC1CCCO1)c1ccc(F)cc1F by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCCCC(=O)N(Cc1ccccc1)CC1CCCO1)c1ccc(F)cc1F | O=C(NCCC(CC1CCCO1)c1ccccc1)c1ccc(F)cc1F | null | amide |
59429b1d-4136-4c78-9d4f-d62a6a9c7c52 | delete | Please remove a benzene ring from the molecule Cc1cc(N2CC(O)CC2C[NH+](C)C)ccc1C[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(N2CC(O)CC2C[NH+](C)C)ccc1C[NH3+]. | CC([NH3+])N1CC(O)CC1C[NH+](C)C | null | benzene |
9cf6c715-50f6-4533-abdf-29350ffb05ed | delete | Please remove a benzene ring from the molecule Cc1cnc(C(=O)N(CCC(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)Cc2ccccc2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cnc(C(=O)N(CCC(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)Cc2ccccc2)cn1. | Cc1cnc(C(=O)N(CCC(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)cn1 | null | benzene |
ee3dae4b-d664-4e48-92b3-79ca1c8764b0 | delete | Modify the molecule CCCCC(=O)N(CC1CC1)CC1CC1C1CC=CCC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCC(=O)N(CC1CC1)CC1CC1C1CC=CCC1 | CCCC(CC1CC1)C1CC1C1CC=CCC1 | null | amide |
bd2677e6-750d-4e91-bc7e-8be6a11460af | delete | Please remove a benzene ring from the molecule COc1cccc(N2C(SC)=[NH+]C(=[NH+]c3ccccc3C)C23CCOC(C)(C)C3)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cccc(N2C(SC)=[NH+]C(=[NH+]c3ccccc3C)C23CCOC(C)(C)C3)c1. | CON1C(SC)=[NH+]C(=[NH+]c2ccccc2C)C12CCOC(C)(C)C2 | null | benzene |
2d5a5aeb-5cc2-4483-8437-136ff705d730 | delete | Modify the molecule CCOC(=O)c1c(-c2ccccc2)ccn1S(=O)(=O)c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)c1c(-c2ccccc2)ccn1S(=O)(=O)c1ccccc1 | CCOC(=O)c1c(-c2ccccc2)ccn1[SH](=O)=O | null | benzene |
9d87eefc-cb4d-48d9-a808-3a15eb4c7ce5 | delete | Please remove a halo from the molecule ClCC(CCOc1cccc(Br)c1)Cc1ccc(Cl)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | ClCC(CCOc1cccc(Br)c1)Cc1ccc(Cl)cc1. | CC(CCOc1cccc(Br)c1)Cc1ccc(Cl)cc1 | null | halo |
07ad8bec-cbee-4f98-8a12-2eff213daeb5 | delete | Modify the molecule O=S(=O)(Cc1ccccc1)NCc1cccc(COCc2ccccc2)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=S(=O)(Cc1ccccc1)NCc1cccc(COCc2ccccc2)c1 | COCc1cccc(CNS(=O)(=O)Cc2ccccc2)c1 | null | benzene |
424a16e2-4074-478c-be5f-30068a2cee1a | delete | Please remove a halo from the molecule CCc1csc2[nH+]cc(C(=O)NCC3C4CC4CN3C(=O)c3c(-c4ccccc4)nc4ccc(Cl)cn34)n12.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1csc2[nH+]cc(C(=O)NCC3C4CC4CN3C(=O)c3c(-c4ccccc4)nc4ccc(Cl)cn34)n12. | CCc1csc2[nH+]cc(C(=O)NCC3C4CC4CN3C(=O)c3c(-c4ccccc4)nc4ccccn34)n12 | null | halo |
81ef42e9-0fd5-420e-88b5-6454ad466395 | delete | Modify the molecule CC1(C)CC1C[NH2+]CCCc1ccc(N)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(C)CC1C[NH2+]CCCc1ccc(N)cc1 | CC1(C)CC1C[NH2+]CCCN | null | benzene |
44578edd-d095-454e-8005-466c2aa582f7 | delete | Please remove a amine from the molecule CCCCC1C(=O)N(C)C(COCC)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CO)C(=O)NC(Cc2csc3ccccc23)C(=O)N1C.
Please wrap the final SMILES i... | CCCCC1C(=O)N(C)C(COCC)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CO)C(=O)NC(Cc2csc3ccccc23)C(=O)N1C. | CCCCC1C(=O)N(C)C(COCC)C(=O)NC(CCCNC=[NH2+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CO)C(=O)NC(Cc2csc3ccccc23)C(=O)N1C | null | amine |
61bb4f95-5ce9-4d53-9c8a-f6ed4ce34591 | delete | Please remove a benzene ring from the molecule Cc1ccsc1CN(C)C(=O)Cn1nnc(-c2cccc(F)c2)n1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccsc1CN(C)C(=O)Cn1nnc(-c2cccc(F)c2)n1. | Cc1ccsc1CN(C)C(=O)Cn1nnc(F)n1 | null | benzene |
a09b53b0-ffac-4cf6-934f-41f69b028092 | delete | Please remove a benzene ring from the molecule Cc1ccc(OCC(=O)Nc2cnn(CC3CCCCO3)c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(OCC(=O)Nc2cnn(CC3CCCCO3)c2)cc1. | COCC(=O)Nc1cnn(CC2CCCCO2)c1 | null | benzene |
de98a54d-cab0-4295-bad7-ad1cec5bd318 | delete | Please remove a amide from the molecule O=C(C[NH+]1CCC(c2cncc(Nc3ccc(F)cn3)n2)CC1)Nc1ccccc1C(F)(F)F.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(C[NH+]1CCC(c2cncc(Nc3ccc(F)cn3)n2)CC1)Nc1ccccc1C(F)(F)F. | Fc1ccc(Nc2cncc(C3CC[NH+](c4ccccc4C(F)(F)F)CC3)n2)nc1 | null | amide |
66a544ca-5746-437e-a3d5-7644bc4de651 | delete | Modify the molecule Cc1cccc(C)c1N1C(=O)CC(Sc2ccc(NC(=O)C(=Cc3cccc(Cl)c3Cl)NC(=O)c3ccccc3)cc2)C1=O by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(C)c1N1C(=O)CC(Sc2ccc(NC(=O)C(=Cc3cccc(Cl)c3Cl)NC(=O)c3ccccc3)cc2)C1=O | Cc1cccc(C)c1[SH](CC=O)c1ccc(NC(=O)C(=Cc2cccc(Cl)c2Cl)NC(=O)c2ccccc2)cc1 | null | amide |
e0d3112f-6000-4d54-b8bf-2b3a4db0d6bf | delete | Please remove a benzene ring from the molecule CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccc(SC)cc2s1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccc(SC)cc2s1. | CC[NH+](CC)CCN(C(=O)S(=O)(=O)N1CCOCC1)c1nc2ccc(SC)cc2s1 | null | benzene |
f445ff16-c28c-4c60-9325-580a2399bc79 | delete | Please remove a halo from the molecule CC(O)CNC(=O)c1cc(Br)cn1C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(O)CNC(=O)c1cc(Br)cn1C1CC1. | CC(O)CNC(=O)c1cccn1C1CC1 | null | halo |
e2f748f9-6754-4265-b377-8f827ae7a1f7 | delete | Modify the molecule CS(=O)(=O)Cc1ccccc1CNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)(=O)Cc1ccccc1CNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 | CS(=O)(=O)CCNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 | null | benzene |
00a6bf59-c73b-47f9-8a1f-82ad6d40de89 | delete | Please remove a amine from the molecule CCOC(=O)c1cc(N2CCOC3CCCC32)ncc1N.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)c1cc(N2CCOC3CCCC32)ncc1N. | CCOC(=O)c1ccnc(N2CCOC3CCCC32)c1 | null | amine |
5d3a7cd9-a83a-4fa7-b991-91afe7814dda | delete | Please remove a amine from the molecule O=C([O-])c1ccc2cc1OCCCCCCOc1ccc(cc1)C[NH+]=C1NC(=[NH+]C(OCC(F)(F)F)N1)N2.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])c1ccc2cc1OCCCCCCOc1ccc(cc1)C[NH+]=C1NC(=[NH+]C(OCC(F)(F)F)N1)N2. | O=C([O-])c1ccc2cc1OCCCCCCOc1ccc(cc1)C[NH+]=C1NC(N2)C(OCC(F)(F)F)N1 | null | amine |
f54ff6b4-a235-4a00-92ed-c7f2a832f455 | delete | Please remove a halo from the molecule Cc1cc(CBr)cnc1N(C)CC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(CBr)cnc1N(C)CC(C)C. | Cc1cnc(N(C)CC(C)C)c(C)c1 | null | halo |
96593edc-5b4e-4516-a498-f9651e585a82 | delete | Please remove a benzene ring from the molecule O=C([O-])c1ccc(OCC2CCCN(C(=O)C[NH+]3CCN(c4cc[nH]c5cnc6nccc6c45)CC3)C2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])c1ccc(OCC2CCCN(C(=O)C[NH+]3CCN(c4cc[nH]c5cnc6nccc6c45)CC3)C2)cc1. | O=C([O-])OCC1CCCN(C(=O)C[NH+]2CCN(c3cc[nH]c4cnc5nccc5c34)CC2)C1 | null | benzene |
74e872e4-2d5a-4059-830f-d322274451de | delete | Modify the molecule CCCCCCNc1c(OCC(CC)CCCC)ccc(N)c1CC(CC)CCCC by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCNc1c(OCC(CC)CCCC)ccc(N)c1CC(CC)CCCC | CCCCCCNc1c(OCC(CC)CCCC)cccc1CC(CC)CCCC | null | amine |
06f4b7ff-8de4-4093-a237-003ab5d4eef2 | delete | Modify the molecule O=C(c1ccccc1)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(c1ccccc1)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 | O=C(c1ccccc1)c1ccc(OCc2csc(-c3ccccc3)n2)cc1 | null | halo |
c1f30bc4-d803-4577-b0fa-35b50aaea6cd | delete | Modify the molecule COc1ccc(F)c2[nH]c(C(=O)NCC3(O)C4C5CC6C7C5CC4C7C63)cc12 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(F)c2[nH]c(C(=O)NCC3(O)C4C5CC6C7C5CC4C7C63)cc12 | COc1ccc(F)c2[nH]c(C(=O)NCC3C4C5CC6C7C5CC4C7C36)cc12 | null | hydroxyl |
5f9b144b-5ee2-493a-bda9-0c67a22f42e7 | delete | Modify the molecule CCOc1ccc(OCC)c(NC(N)=NCC(c2ccccc2)[NH+]2CCCC2)c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(OCC)c(NC(N)=NCC(c2ccccc2)[NH+]2CCCC2)c1 | CCOc1ccc(OCC)c(C(N)=NCC(c2ccccc2)[NH+]2CCCC2)c1 | null | amine |
8e8e4cca-e4c7-4bea-98e3-8e59245a86b0 | delete | Please remove a benzene ring from the molecule Cc1cc(OCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(OCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl. | Cc1cc(OCCCC(=O)N2CCN([N+](=O)[O-])CC2)ccc1Cl | null | benzene |
768ca348-1cbd-495f-8b2e-5adb5c2ed2c0 | delete | Modify the molecule CCOC(=O)CCCC[N+]([O-])=C(c1cccnc1)c1cccc(COC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=NCc3nnc(C)n3-4)C2)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)CCCC[N+]([O-])=C(c1cccnc1)c1cccc(COC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=NCc3nnc(C)n3-4)C2)c1 | CCOC(=O)CCCC[N+]([O-])=C(c1cccnc1)c1cccc(COC(=O)N2CCc3c(sc4c3C(Cl)=NCc3nnc(C)n3-4)C2)c1 | null | benzene |
fcc89eb7-c744-4ab4-9824-021b8d5f4873 | delete | Please remove a benzene ring from the molecule C=CC1CC(C)(c2ccccc2)C(=O)O1.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CC1CC(C)(c2ccccc2)C(=O)O1. | C=CC1CC(C)C(=O)O1 | null | benzene |
e80656c7-a4a4-456f-bf5b-278d532b7787 | delete | Modify the molecule COC(=O)CCSCc1cccc(Nc2ncnc3[nH]ncc23)c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)CCSCc1cccc(Nc2ncnc3[nH]ncc23)c1 | COC(=O)CCSCc1cccc(-c2ncnc3[nH]ncc23)c1 | null | amine |
ec9f2411-9f69-4661-9e25-d622985c10f9 | delete | Modify the molecule CCC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c2F)CC1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c2F)CC1 | CCC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(-c3ccc(S(C)(=O)=O)cc3F)c2F)CC1 | null | amine |
31d63893-4a00-4ece-8b20-c5874de85b3c | delete | Modify the molecule Cc1ccc(C(=O)N(C)c2cccnc2)c(NN)c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C(=O)N(C)c2cccnc2)c(NN)c1 | Cc1ccc(C(=O)N(C)c2cccnc2)c(N)c1 | null | amine |
f689891d-6073-4035-b171-e8bf44783b97 | delete | Please remove a halo from the molecule O=C(COc1ccc(Cl)c2cccnc12)N1CCCC1C1CCOCC1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(COc1ccc(Cl)c2cccnc12)N1CCCC1C1CCOCC1. | O=C(COc1cccc2cccnc12)N1CCCC1C1CCOCC1 | null | halo |
5c5ff874-a70b-4ca5-a017-b977041d2a6e | delete | Please remove a amide from the molecule COC(=O)C1CC(=O)N(Cc2ccc3ccccc3c2)C12CC[NH+](Cc1ccnc3ccccc13)CC2.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)C1CC(=O)N(Cc2ccc3ccccc3c2)C12CC[NH+](Cc1ccnc3ccccc13)CC2. | COC(=O)CC1(Cc2ccc3ccccc3c2)CC[NH+](Cc2ccnc3ccccc23)CC1 | null | amide |
09413341-29d7-42ac-9ab6-644b020b3c0f | delete | Please remove a amine from the molecule CC1(C)CCC(Nc2nc(C(C)(C)C)ns2)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(C)CCC(Nc2nc(C(C)(C)C)ns2)C1. | CC1(C)CCC(c2nc(C(C)(C)C)ns2)C1 | null | amine |
e6383ada-4cfa-491d-a138-bd4d522eb41e | delete | Please remove a benzene ring from the molecule Cc1cc(C)c(S(=O)(=O)NCc2cnoc2C2CC2)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C)c(S(=O)(=O)NCc2cnoc2C2CC2)c(C)c1. | CCCS(=O)(=O)NCc1cnoc1C1CC1 | null | benzene |
088c1c26-4196-4aa0-a9be-48bdd77cc264 | delete | Please remove a halo from the molecule CCC(C#N)c1cc2c3c(c1)c(Br)c(C)n3CCC2.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C#N)c1cc2c3c(c1)c(Br)c(C)n3CCC2. | CCC(C#N)c1cc2c3c(c1)cc(C)n3CCC2 | null | halo |
83a7c85b-1e7e-481a-b2c4-f612437ac76f | delete | Please remove a halo from the molecule CC(C)CCC[NH2+]Cc1ccc(Cl)cc1Br.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CCC[NH2+]Cc1ccc(Cl)cc1Br. | CC(C)CCC[NH2+]Cc1ccccc1Br | null | halo |
8febe1ce-79bb-451c-8349-28d173f2d881 | delete | Modify the molecule CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1C#N by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1C#N | CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1 | null | nitrile |
741d525e-7fc8-4cdc-a19d-bfc8a7531062 | delete | Please remove a benzene ring from the molecule Cc1ccc(NC(=O)Oc2ccc3c(c2)ncn3C)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(NC(=O)Oc2ccc3c(c2)ncn3C)cc1C. | CCNC(=O)Oc1ccc2c(c1)ncn2C | null | benzene |
1d7fcdb9-9dfc-4015-8a2b-7862aa372773 | delete | Please remove a halo from the molecule O=C(CCOCC(F)(F)F)N1CCN(c2ccccc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CCOCC(F)(F)F)N1CCN(c2ccccc2)CC1. | O=C(CCOCC(F)F)N1CCN(c2ccccc2)CC1 | null | halo |
8e7f76e6-0d75-46f2-a61a-baed35d093a2 | delete | Modify the molecule CCOC(=O)C1CCC[NH+]1Cc1cccc(NN)n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C1CCC[NH+]1Cc1cccc(NN)n1 | CCOC(=O)C1CCC[NH+]1Cc1cccc(N)n1 | null | amine |
87855cbf-d8f8-4997-addf-53bb240504c1 | delete | Modify the molecule CC(=O)N1CCC(n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc32)C1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)N1CCC(n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc32)C1 | Cc1ccccc1-c1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2n(C2CCC2)c1=O | null | amide |
da18c5e0-9c08-45b8-9c91-8cca425390d8 | delete | Please remove a halo from the molecule COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)CSc1ccc(Br)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)CSc1ccc(Br)cc1C. | COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)CSc1ccccc1C | null | halo |
bea66c6a-48e2-4b05-9f1e-8d476e4c8420 | delete | Modify the molecule CC(NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Cl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Cl | CC(NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 | null | halo |
a1c0fad6-ae46-440b-9786-5b84edef3741 | delete | Please remove a benzene ring from the molecule [NH3+]C(Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]C(Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1. | CS(=O)(=O)N1CCC(C([NH3+])Cc2cccc(Cl)c2)CC1 | null | benzene |
b09f416a-ffda-4a72-8b07-b11142af0d8f | delete | Please remove a amide from the molecule O=C(NCc1ccc2c(n1)CCCC2)c1ccn(C2CCCC2)n1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCc1ccc2c(n1)CCCC2)c1ccn(C2CCCC2)n1. | c1cn(C2CCCC2)n1Cc1ccc2c(n1)CCCC2 | null | amide |
5afbfa20-be6b-4c0c-a61f-12d5fbeb55ae | delete | Modify the molecule COc1cccc(C=NNC(=O)c2ccccc2F)c1OC(F)F by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cccc(C=NNC(=O)c2ccccc2F)c1OC(F)F | COc1cccc(C=Nc2(F)cccc-2)c1OC(F)F | null | amide |
09c3e3e0-b090-46ff-9f08-b9c5e1069406 | delete | Please remove a amine from the molecule COc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl. | COc1ccc(C2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl | null | amine |
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