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 |
|---|---|---|---|---|---|---|
062a63b2-95ef-4f97-836c-02a1c50bb905 | add | Modify the molecule C[NH2+]C(C)c1sc(C(OC)C(C)(C)C)nc1C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH2+]C(C)c1sc(C(OC)C(C)(C)C)nc1C | C[NH2+]C(CC(=O)O)c1sc(C(OC)C(C)(C)C)nc1C | carboxyl | null |
a8b775d8-0a8d-406f-b82e-419b1651b6ab | add | Modify the molecule CCc1ccc(-c2cn3c4ccccc4nc3n2CCOC(C)=O)cc1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1ccc(-c2cn3c4ccccc4nc3n2CCOC(C)=O)cc1 | CCc1ccc(-c2cn3c4cc(C#N)ccc4nc3n2CCOC(C)=O)cc1 | nitrile | null |
5ba9bc83-2802-49ec-b83f-23b83a62174d | add | Please add a benzene ring to the molecule CCCCCCCCNc1cccc(NS(N)(=O)=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCCNc1cccc(NS(N)(=O)=O)c1. | CCC(CCCCCNc1cccc(NS(N)(=O)=O)c1)c1ccccc1 | benzene | null |
dd01b352-b76c-4c02-8fc1-c4d74b5a00e5 | add | Modify the molecule CC1OC(C(Cc2ccccc2)N=[N+]=[N-])CN(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])C1=O by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1OC(C(Cc2ccccc2)N=[N+]=[N-])CN(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])C1=O | CC1OC(C(Cc2ccccc2)N=[N+]=[N-])CN(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2cccc(C#N)c2)C(=O)[O-])C1=O | nitrile | null |
42e9fee0-7ecd-4d12-a9b7-b1e0e2f20695 | add | Please add a amine to the molecule COc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc(OC)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc(OC)c1. | COc1c(NH2)cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc(OC)c1 | amine | null |
83acfd4b-c8d9-4575-bed7-0d0457e8c2da | add | Modify the molecule CC(CC#N)c1ccc(F)cc1F by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(CC#N)c1ccc(F)cc1F | CC(c1ccc(F)cc1F)C(C#N)C(=O)O | carboxyl | null |
0fcb9b56-c5ed-47b2-beb8-2755ea787362 | add | Modify the molecule CCC(C(C)O)C1CC(C)(C)OC1(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C(C)O)C1CC(C)(C)OC1(C)C | CCC(C(C)O)C1CC(C)(CO)OC1(C)C | hydroxyl | null |
90771557-60c5-405e-ac5d-751494735a3e | add | Please add a carboxyl to the molecule CCN(c1cc(C(=O)NC(C)c2cccc(Cl)c2)cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)o2)c1)S(C)(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(c1cc(C(=O)NC(C)c2cccc(Cl)c2)cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)o2)c1)S(C)(=O)=O. | CCN(c1cc(C(=O)NC(C)c2cccc(Cl)c2)cc(-c2nnc(C(C)([NH3+])Cc3cccc(C(=O)O)c3)o2)c1)S(C)(=O)=O | carboxyl | null |
52e23dad-30fe-4ca3-adeb-ee2830d2a48d | add | Modify the molecule CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)ccc4n(-c4ccccc4)c3cc21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)ccc4n(-c4ccccc4)c3cc21 | CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc(O)c7)cc6)cc5)ccc4n(-c4ccccc4)c3cc21 | hydroxyl | null |
da7c2d88-a6e0-4a87-a4ba-0c9015c71074 | add | Modify the molecule CCC(CN1CCCCC1=O)[NH2+]CCc1ccc(OS(=O)(=O)C(C)C)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(CN1CCCCC1=O)[NH2+]CCc1ccc(OS(=O)(=O)C(C)C)cc1 | CCC(CN1CCCCC1=O)[NH2+]CC(c1ccccc1)c1ccc(OS(=O)(=O)C(C)C)cc1 | benzene | null |
3e1e8238-ea73-437e-b090-40f33421bcbf | add | Please add a amine to the molecule CSC(=O)C=C1SSC(=CC(=O)SC)S1.
Please wrap the final SMILES in <smiles>...</smiles>. | CSC(=O)C=C1SSC(=CC(=O)SC)S1. | CSC(=O)C=C1SSC(=C(N)C(=O)SC)S1 | amine | null |
e6a01836-7c74-4641-87aa-0023fd37629b | add | Please add a hydroxyl to the molecule CC(C)n1cc(C[NH+]2CCc3nc(-c4ccco4)ncc3C2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)n1cc(C[NH+]2CCc3nc(-c4ccco4)ncc3C2)cn1. | CC(C)n1ncc(C[NH+]2CCc3nc(-c4ccco4)ncc3C2)c1O | hydroxyl | null |
4e27f462-bf6d-40d1-aefa-c1a4cad2e716 | add | Please add a hydroxyl to the molecule COc1ccc(NC(=O)CN(C)c2nc3c(OC)cccc3s2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(NC(=O)CN(C)c2nc3c(OC)cccc3s2)cc1. | COc1cccc2sc(N(C)CC(=O)Nc3ccc(OCO)cc3)nc12 | hydroxyl | null |
fc75478c-a731-4930-aee9-047ead766448 | add | Please add a aldehyde to the molecule COc1ccc(C(=O)OCC(=O)NC(C)c2ccc(C)c(C)c2)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C(=O)OCC(=O)NC(C)c2ccc(C)c(C)c2)cc1OC. | COc1cc(C(=O)OCC(=O)NC(C)c2ccc(C)c(C)c2)ccc1OCCC=O | aldehyde | null |
ad683987-e686-46e2-8123-5989e90ae337 | add | Please add a hydroxyl to the molecule O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1)c1ccccc1. | O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1O)c1ccccc1 | hydroxyl | null |
9855b37d-a0e6-4aff-8cad-ce8d0e40d709 | add | Please add a amine to the molecule C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2c(F)cccc2F)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2c(F)cccc2F)C1. | C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2c(F)cc(N)cc2F)C1 | amine | null |
770d90c0-1e7b-4a4a-8305-e913f1924b2a | add | Modify the molecule O=S(=O)([O-])OC12CCC(CC1)CC2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=S(=O)([O-])OC12CCC(CC1)CC2 | O=S(=O)([O-])OC12CCC(CC1)CC2O | hydroxyl | null |
208b7bdc-6882-4108-beb9-e3d5a858b16b | add | Modify the molecule CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(CO)c1 | hydroxyl | null |
80d3628e-9441-4fd6-a911-8fe725491cde | add | Please add a hydroxyl to the molecule COC(=O)c1cc(COc2cnc(OC)cc2C=O)c2[nH+]c(Br)cn2c1.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)c1cc(COc2cnc(OC)cc2C=O)c2[nH+]c(Br)cn2c1. | COC(=O)c1cc(COc2cnc(OC)cc2C(=O)O)c2[nH+]c(Br)cn2c1 | hydroxyl | null |
8a348c42-7a24-4d9b-b887-bd657637916d | add | Modify the molecule NC(=O)c1cccn2c(=O)c3ccccc3nc12 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | NC(=O)c1cccn2c(=O)c3ccccc3nc12 | NC(=O)c1cccn2c(=O)c3ccc(O)cc3nc12 | hydroxyl | null |
f4ea222a-14aa-478e-803b-1b8732a3de9e | add | Modify the molecule CC(NC(=O)N1CCc2ccc(F)cc2C1)c1ccccn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(NC(=O)N1CCc2ccc(F)cc2C1)c1ccccn1 | CC(NC(=O)N1CCc2ccc(F)cc2C1)c1cccc(O)n1 | hydroxyl | null |
67f7c229-008e-4415-8073-b37675448d3d | add | Please add a aldehyde to the molecule C1=CC23CCCCC(CC2)([NH2+]3)c2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>. | C1=CC23CCCCC(CC2)([NH2+]3)c2ccccc21. | O=CCc1cccc2c1C13CCCCC(C=C2)(CC1)[NH2+]3 | aldehyde | null |
dd66a283-8120-43ee-bd7c-fb6aa631b356 | add | Modify the molecule CCCCCCCC1CCC(CCCOc2ccc(-c3ncc(CCC)cn3)cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCC1CCC(CCCOc2ccc(-c3ncc(CCC)cn3)cc2)CC1 | CCCCC(O)CCC1CCC(CCCOc2ccc(-c3ncc(CCC)cn3)cc2)CC1 | hydroxyl | null |
2bdd7c67-7c79-4d95-9359-cb74bf26bb2b | add | Please add a hydroxyl to the molecule COc1ccc(CC(NC(=O)[O-])c2nc3ccc(F)cc3[nH]2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(CC(NC(=O)[O-])c2nc3ccc(F)cc3[nH]2)cc1. | COc1ccc(CC(NC(=O)[O-])c2nc3ccc(F)cc3[nH]2)c(O)c1 | hydroxyl | null |
b0ab53cf-09f1-4156-8a2a-f1f99b682356 | add | Modify the molecule CCCCC([NH3+])c1cc(OCC)c(OCC)c(OCC)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCC([NH3+])c1cc(OCC)c(OCC)c(OCC)c1 | CCCCC([NH3+])c1cc(OCC)c(OCC)c(OCC)c1-c1ccccc1 | benzene | null |
7f45a3c3-2de5-43ca-8815-48be87b145f1 | add | Please add a aldehyde to the molecule CC(C)Oc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(Oc3ccccc3)c2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)Oc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(Oc3ccccc3)c2)c1. | CC(C)Oc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(Oc3ccc(C=O)cc3)c2)c1 | aldehyde | null |
67959a53-02c3-4598-9ba6-3f2647359a83 | add | Please add a hydroxyl to the molecule Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1F.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1F. | Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(O)cc2)ccc1F | hydroxyl | null |
028144ac-f019-45a1-bb86-7cbb681d66d9 | add | Modify the molecule CCOC(=O)C1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])C1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])C1 | CCOC(=O)C1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4C(=O)O)cc3)c2[N+](=O)[O-])C1 | carboxyl | null |
35495a0b-bb7e-43cd-9685-4a22736a247a | add | Modify the molecule CCC1(C(=O)[O-])CCN(C(=O)CSCC#N)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1(C(=O)[O-])CCN(C(=O)CSCC#N)C1 | CCC1(C(=O)[O-])CCN(C(=O)CSCC#N)C1O | hydroxyl | null |
d088bae9-bd14-45f1-b4b4-7a54a3ed491c | add | Please add a hydroxyl to the molecule CC(CC=C[NH+](C)C)=C(C)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(CC=C[NH+](C)C)=C(C)c1ccccc1. | CC(CC=C[NH+](C)C)=C(CO)c1ccccc1 | hydroxyl | null |
a98b08e7-1841-4c67-9a02-310dd19d1a9d | add | Modify the molecule CCc1cnc(CCNC(NCCNS(C)(=O)=O)=[NH+]C)s1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1cnc(CCNC(NCCNS(C)(=O)=O)=[NH+]C)s1 | CCc1cnc(CCNC(NCC(NS(C)(=O)=O)c2ccccc2)=[NH+]C)s1 | benzene | null |
93651be8-0382-43cb-b092-1171ef9f8672 | add | Please add a benzene ring to the molecule C[NH+]1CCC(Oc2ccc(C(N)=S)cc2Br)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1CCC(Oc2ccc(C(N)=S)cc2Br)CC1. | C[NH+]1CCC(Oc2ccc(C(N)=S)c(-c3ccccc3)c2Br)CC1 | benzene | null |
d495f16c-a05e-480e-9d6f-20d4c42890be | add | Modify the molecule N#CC1(NC(=O)Cc2ccccc2)CCCC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CC1(NC(=O)Cc2ccccc2)CCCC1 | N#CC1(NC(=O)Cc2cccc(O)c2)CCCC1 | hydroxyl | null |
c779c6bf-0115-42b9-ae3d-19cee7fd2788 | add | Please add a amine to the molecule c1ccc(Cn2nnnc2SCCCc2nc(-c3cccs3)no2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | c1ccc(Cn2nnnc2SCCCc2nc(-c3cccs3)no2)cc1. | NC(CCc1nc(-c2cccs2)no1)Sc1nnnn1Cc1ccccc1 | amine | null |
0a208e0a-f342-42ae-9fda-e02c197d54b8 | add | Modify the molecule O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1 | O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1O | hydroxyl | null |
86013dc0-53f8-4a3d-9718-9c4123bf5fcf | add | Please add a benzene ring to the molecule Cc1noc(C=Cc2cn(CCOc3ccccc3)c3ccccc23)c1[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1noc(C=Cc2cn(CCOc3ccccc3)c3ccccc23)c1[N+](=O)[O-]. | Cc1noc(C=Cc2cn(CCOc3ccc(-c4ccccc4)cc3)c3ccccc23)c1[N+](=O)[O-] | benzene | null |
e7d5f344-28f7-4cb2-b97f-371087ad4e77 | add | Please add a benzene ring to the molecule COCCCNc1ncnc(Oc2cc(C)cc(C)c2)c1N.
Please wrap the final SMILES in <smiles>...</smiles>. | COCCCNc1ncnc(Oc2cc(C)cc(C)c2)c1N. | COC(CCNc1ncnc(Oc2cc(C)cc(C)c2)c1N)c1ccccc1 | benzene | null |
88aefe84-2b66-47eb-b722-b447e5c5a393 | add | Please add a hydroxyl to the molecule CCOc1ccccc1C(=O)Nc1cnn(Cc2ccccc2F)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccccc1C(=O)Nc1cnn(Cc2ccccc2F)c1. | CCOc1ccccc1C(=O)Nc1cnn(Cc2cccc(O)c2F)c1 | hydroxyl | null |
0e9c96b7-a474-4fe4-ad51-244ddc772306 | add | Please add a hydroxyl to the molecule Cc1cccc(CC2CC(C(C)(C)C)CCC2C[NH3+])c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(CC2CC(C(C)(C)C)CCC2C[NH3+])c1. | Cc1cc(O)cc(CC2CC(C(C)(C)C)CCC2C[NH3+])c1 | hydroxyl | null |
840a9035-6a04-41c5-9da3-f4dc03ec8132 | add | Modify the molecule CCCCCCCCCCCCOc1ccc(Sc2ccc(O)cc2)cc1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCCCCCCOc1ccc(Sc2ccc(O)cc2)cc1 | CCCCC(CC=O)CCCCCCCOc1ccc(Sc2ccc(O)cc2)cc1 | aldehyde | null |
3395a47f-f6bb-43e0-b9f9-5cd3c2a7e319 | add | Please add a aldehyde to the molecule CN(C)c1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(C)c1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1. | CN(C)c1ccc(C(=O)NCC(=O)Nc2cc(CC=O)c(F)c(F)c2F)cc1 | aldehyde | null |
d389507f-c05c-4251-a42d-174bebbf8c86 | add | Modify the molecule O=C(Nc1ccc(F)cc1OCC1CC1)N1CCn2c(n[nH]c2=O)C1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Nc1ccc(F)cc1OCC1CC1)N1CCn2c(n[nH]c2=O)C1 | N#CC1CN(C(=O)Nc2ccc(F)cc2OCC2CC2)Cc2n[nH]c(=O)n21 | nitrile | null |
29911b32-e00c-4d63-aff9-3da88a1624ab | add | Modify the molecule CCN(CC)C(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(N)=O)C(C)C)CC2)ccc1Cl by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(CC)C(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(N)=O)C(C)C)CC2)ccc1Cl | CCN(CC)C(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(O)(C(=O)Nc3ccc(Cl)cc3C(N)=O)C(C)C)CC2)ccc1Cl | hydroxyl | null |
e59566c1-f77a-4e9e-830a-bbab46159915 | add | Please add a aldehyde to the molecule COCCCN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1.
Please wrap the final SMILES in <smiles>...</smiles>. | COCCCN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1. | COCCCN(C1Cc2cc(C#N)c(CC=O)cc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1 | aldehyde | null |
a0ca642a-4c8b-46d5-879b-3814bb1b9f51 | add | Modify the molecule CC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)cc1O by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)cc1O | CC(=NNC(=O)COc1cccc(C)c1)c1cc(CC=O)c(O)cc1O | aldehyde | null |
e46409af-87d3-4a6b-9859-4630f5ab08ac | add | Please add a benzene ring to the molecule COc1cccc(F)c1COCC1CCC[NH2+]1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cccc(F)c1COCC1CCC[NH2+]1. | COc1cccc(F)c1COCC1(c2ccccc2)CCC[NH2+]1 | benzene | null |
595ddbd4-63c8-4b6a-bb97-f2ea27468f47 | add | Modify the molecule CN(CCc1ccccn1)c1nc(NN)ncc1Cl by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(CCc1ccccn1)c1nc(NN)ncc1Cl | CN(CCc1cccc(C(=O)O)n1)c1nc(NN)ncc1Cl | carboxyl | null |
59e12609-c68f-4ba3-ad91-a41895e49d2c | add | Modify the molecule CCN(CCNC(NCc1cccc(C(=O)NC)c1)=[NH+]C)c1cccc(C)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(CCNC(NCc1cccc(C(=O)NC)c1)=[NH+]C)c1cccc(C)c1 | CNC(=O)c1cccc(CNC(NCCN(CCN)c2cccc(C)c2)=[NH+]C)c1 | amine | null |
8fee30c4-88c1-42af-ba17-aa435dd44d7a | add | Please add a benzene ring to the molecule O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(C(=O)C=Cc2ccccc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(C(=O)C=Cc2ccccc2)CC1. | O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(C(=O)C=Cc2ccccc2)CC1c1ccccc1 | benzene | null |
6ac8108b-353f-4ade-8a5b-415a8f1c3af5 | add | Please add a benzene ring to the molecule C[NH2+]C(C)CCC1=CCC=CCC1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH2+]C(C)CCC1=CCC=CCC1. | C[NH2+]C(C)CCC1=CCC=C(c2ccccc2)CC1 | benzene | null |
103497be-1e99-4daf-888e-f41016bc8852 | add | Modify the molecule CCc1cccc2c1N(C)CCCN2CC(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1cccc2c1N(C)CCCN2CC(=O)[O-] | CCc1cccc2c1N(C)CC(c1ccccc1)CN2CC(=O)[O-] | benzene | null |
2abd3a4c-9260-4e72-86fb-19f57d515feb | add | Modify the molecule CC1C[NH2+]CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1C[NH2+]CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 | CC1C[NH2+]CC(c2ccccc2)N1C(=O)c1cc(Br)c2c(c1)OCCO2 | benzene | null |
6030570e-7b7c-4891-9ba7-3410047e279a | add | Please add a carboxyl to the molecule Cc1ccc(N(C)C(=O)c2ccn3ncc(-c4ccc(CF)cc4)c3c2)nc1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(N(C)C(=O)c2ccn3ncc(-c4ccc(CF)cc4)c3c2)nc1. | Cc1ccc(N(C)C(=O)c2cc3c(-c4ccc(CF)cc4)cnn3cc2C(=O)O)nc1 | carboxyl | null |
7d9d2551-d431-43cf-b7fc-88d05d3638cb | add | Please add a carboxyl to the molecule CC(C)(C)[Si](C)(C)OCC1C[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(=O)nc(NC(=O)COc4ccccc4)[nH]c32)O1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)[Si](C)(C)OCC1C[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(=O)nc(NC(=O)COc4ccccc4)[nH]c32)O1. | CC(C)(C)[Si](C)(C)OC(C(=O)O)C1C[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(=O)nc(NC(=O)COc4ccccc4)[nH]c32)O1 | carboxyl | null |
c0f74d3d-d9ec-4a22-b005-82de64a0fa6e | add | Please add a benzene ring to the molecule CC1=CC(=C(c2cccs2)c2ccc(C(=C3C=C(c4ccccc4)C(=O)C(c4ccccc4)=C3)c3cccs3)s2)C=C(C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1=CC(=C(c2cccs2)c2ccc(C(=C3C=C(c4ccccc4)C(=O)C(c4ccccc4)=C3)c3cccs3)s2)C=C(C)C1=O. | CC1=CC(=C(c2cccs2)c2ccc(C(=C3C=C(c4ccccc4)C(=O)C(c4cccc(-c5ccccc5)c4)=C3)c3cccs3)s2)C=C(C)C1=O | benzene | null |
09692ffb-98b7-4df2-b31b-20b936921a26 | add | Please add a hydroxyl to the molecule Cc1cc(C[NH2+]C(C)C)cc(N(CC(C)C)C2CC2)n1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C[NH2+]C(C)C)cc(N(CC(C)C)C2CC2)n1. | Cc1cc(C[NH2+]C(C)(C)O)cc(N(CC(C)C)C2CC2)n1 | hydroxyl | null |
50b3f770-73ba-4638-9a79-c76f4a74f2ba | add | Please add a aldehyde to the molecule Cn1cncc1C[NH2+]C1CCC2CC21.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1cncc1C[NH2+]C1CCC2CC21. | Cn1cncc1C[NH2+]C1CC(CC=O)C2CC12 | aldehyde | null |
106bf72e-991f-4867-a538-73494ddbcd7d | add | Please add a hydroxyl to the molecule COc1ccc(-c2csc(CCC(=O)Nc3ccc(N(C)C)cc3)n2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(-c2csc(CCC(=O)Nc3ccc(N(C)C)cc3)n2)cc1. | COc1ccc(-c2csc(CCC(=O)Nc3ccc(N(C)CO)cc3)n2)cc1 | hydroxyl | null |
b0cd675e-81af-49a1-bc55-46b2ba3fd05a | add | Modify the molecule CS(=O)(=O)c1cccc(C(=O)OCCc2cc3cc(Br)ccc3o2)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)(=O)c1cccc(C(=O)OCCc2cc3cc(Br)ccc3o2)c1 | CS(=O)(=O)c1cccc(C(=O)OCCc2cc3cc(Br)ccc3o2)c1O | hydroxyl | null |
7309fea3-ebb8-4c44-abf7-95dc16c0b645 | add | Please add a carboxyl to the molecule CCN(CCC(=O)OC)c1nccc(C)c1[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(CCC(=O)OC)c1nccc(C)c1[N+](=O)[O-]. | CCN(CCC(=O)OCC(=O)O)c1nccc(C)c1[N+](=O)[O-] | carboxyl | null |
58a7a367-09d0-4e0b-b62f-013d5ab7196a | add | Please add a hydroxyl to the molecule CC1CC2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1C(=O)C[NH+]1CCN(C)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CC2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1C(=O)C[NH+]1CCN(C)CC1. | CC1C(O)C2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1C(=O)C[NH+]1CCN(C)CC1 | hydroxyl | null |
d0c2abd0-2969-4140-8bf2-7a2bd72a6e09 | add | Modify the molecule CC(=O)NCCN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)NCCN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)cc1 | CC(=O)NCCN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(=O)CC(=O)O)CC4)cc3)n2)cc1 | carboxyl | null |
8c209c57-a5af-4a76-ac7d-74dd4275c630 | add | Modify the molecule CC1C(c2ccccc2)c2ccccc2C1(C)c1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1C(c2ccccc2)c2ccccc2C1(C)c1ccccc1 | CC1C(C)(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1 | benzene | null |
c0589078-7c54-4dc3-80ba-15a073377aba | add | Please add a hydroxyl to the molecule CC1(CCNS(=O)(=O)CCc2ccccc2)OCCO1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(CCNS(=O)(=O)CCc2ccccc2)OCCO1. | CC1(CCNS(=O)(=O)CCc2ccccc2O)OCCO1 | hydroxyl | null |
cc77532c-9ccc-4e03-b53c-555ff7137c67 | add | Please add a hydroxyl to the molecule C=Cc1cccc(OCCC)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | C=Cc1cccc(OCCC)c1. | C=C(O)c1cccc(OCCC)c1 | hydroxyl | null |
10db4873-f27e-4905-80f3-65304a7f039c | add | Modify the molecule CNc1c(C)nc(N2CC3C4C=CC(CC4)C3C2)nc1C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CNc1c(C)nc(N2CC3C4C=CC(CC4)C3C2)nc1C | CNc1c(C)nc(N2CC3C4C=CC(CC4)C3C2)nc1Cc1ccccc1 | benzene | null |
c135df84-11ea-443f-8b09-432412e6a42e | add | Modify the molecule O=C(NC1CCOC1C1CC1)N1C2CCC1COC2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NC1CCOC1C1CC1)N1C2CCC1COC2 | O=C(NC1CCOC1C1(c2ccccc2)CC1)N1C2CCC1COC2 | benzene | null |
be8d35c9-b582-4b48-a749-dc1720695d5d | add | Modify the molecule Cc1[nH+]cc(-c2nc(NC3CCN(S(=O)(=O)C4CCN(C(=O)OCc5ccccc5)CC4)CC3)ncc2F)n1C(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1[nH+]cc(-c2nc(NC3CCN(S(=O)(=O)C4CCN(C(=O)OCc5ccccc5)CC4)CC3)ncc2F)n1C(C)C | Cc1[nH+]cc(-c2nc(NC3CCN(S(=O)(=O)C4CCN(C(=O)OC(O)c5ccccc5)CC4)CC3)ncc2F)n1C(C)C | hydroxyl | null |
fd187cff-821a-4ede-8c3d-6e69fe1d04e6 | add | Modify the molecule CCCCN(CCCC)C(=S)Nc1ccccn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCN(CCCC)C(=S)Nc1ccccn1 | CCCCN(C(=S)Nc1ccccn1)C(O)CCC | hydroxyl | null |
7f1ad3c1-d64b-43d7-860b-308eeb765e62 | add | Please add a hydroxyl to the molecule Cc1ccc(C[NH2+]CC(=O)NCC#N)cn1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C[NH2+]CC(=O)NCC#N)cn1. | Cc1cc(O)c(C[NH2+]CC(=O)NCC#N)cn1 | hydroxyl | null |
43850857-7b74-4f2b-85f2-14a99d6bbf02 | add | Modify the molecule Cc1ccccc1C(C(=O)[O-])[NH+](C)Cc1cc(-c2ccncc2)no1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccccc1C(C(=O)[O-])[NH+](C)Cc1cc(-c2ccncc2)no1 | Cc1ccccc1C(C(=O)[O-])[NH+](CO)Cc1cc(-c2ccncc2)no1 | hydroxyl | null |
ab975622-b0ca-498c-962a-99d45519aab1 | add | Modify the molecule CN(C)[Si](C)(C)CC[SiH2]c1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(C)[Si](C)(C)CC[SiH2]c1ccccc1 | CN(C)[Si](C)(CO)CC[SiH2]c1ccccc1 | hydroxyl | null |
e5d5ae2f-b628-4174-bf38-c2eb5fbed2c6 | add | Please add a benzene ring to the molecule Cc1cc(OC(=O)CCNC(=O)c2cccs2)c(C(C)C)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(OC(=O)CCNC(=O)c2cccs2)c(C(C)C)cc1Cl. | CC(C)c1cc(Cl)c(Cc2ccccc2)cc1OC(=O)CCNC(=O)c1cccs1 | benzene | null |
86c9a4f5-52a4-4885-b3ca-b6bc9e9f2e71 | add | Modify the molecule [NH3+]Cc1ccccc1OCCCS(=O)c1ccccc1F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]Cc1ccccc1OCCCS(=O)c1ccccc1F | [NH3+]Cc1c(OCCCS(=O)c2ccccc2F)cccc1-c1ccccc1 | benzene | null |
024baa5e-3769-4c9f-a354-db09688c8eb0 | add | Modify the molecule O=c1c(=Cc2ccccc2OCc2ccccc2)sc2nc(-c3ccccc3Cl)nn12 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=c1c(=Cc2ccccc2OCc2ccccc2)sc2nc(-c3ccccc3Cl)nn12 | O=c1c(=C(O)c2ccccc2OCc2ccccc2)sc2nc(-c3ccccc3Cl)nn12 | hydroxyl | null |
c3864c2d-417d-45b3-8e47-74ce345e477f | add | Modify the molecule CCOP(=O)(COCOn1cnc2c(N)ncnc21)OCC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOP(=O)(COCOn1cnc2c(N)ncnc21)OCC | CCOP(=O)(COCOn1cnc2c(N)ncnc21)OCCc1ccccc1 | benzene | null |
4ea2df38-b3a7-4ad9-963d-13b3c9cdf780 | add | Modify the molecule CSC1CCCC1Nc1c(C)cccc1[N+](=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CSC1CCCC1Nc1c(C)cccc1[N+](=O)[O-] | CSC1CC(c2ccccc2)CC1Nc1c(C)cccc1[N+](=O)[O-] | benzene | null |
76c9ecde-1c40-43ba-a9bc-a56a99157d0e | add | Modify the molecule C=CC1CCCC=CCC(C)C1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CC1CCCC=CCC(C)C1 | C=CC1CCCC=C(C(=O)O)CC(C)C1 | carboxyl | null |
dc08ef2f-a5be-43f8-b39c-96d5aea2146c | add | Modify the molecule CC1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCS(=O)(=O)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCS(=O)(=O)C1 | CC1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2-c2ccccc2)CCS(=O)(=O)C1 | benzene | null |
e514de3c-6c3f-484b-a8bb-41f87e7ac4bc | add | Please add a hydroxyl to the molecule CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1. | CS(=O)(=O)Cc1nc2c(O)cccc2n1CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1 | hydroxyl | null |
a34b17c7-8e5d-4701-a1d2-ef993df85ea1 | add | Modify the molecule CSc1ncc(-c2ccc3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CSc1ncc(-c2ccc3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 | CSc1ncc(-c2cc(O)c3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 | hydroxyl | null |
fbb6afbd-f0ed-41e4-bbde-77985c711db3 | add | Modify the molecule CCOC(=O)C1(C)CCCCC1(C)C by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C1(C)CCCCC1(C)C | CC(CC=O)OC(=O)C1(C)CCCCC1(C)C | aldehyde | null |
05046298-b060-4a56-a0ae-408c8e79433f | add | Modify the molecule CC1CCCC2CC(=O)C3(C)OC12C1C(=O)N(c2ccccc2)C(=O)C13 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CCCC2CC(=O)C3(C)OC12C1C(=O)N(c2ccccc2)C(=O)C13 | CC1CCC(c2ccccc2)C2CC(=O)C3(C)OC12C1C(=O)N(c2ccccc2)C(=O)C13 | benzene | null |
ccb85d45-f283-42c6-9e51-2de7624b6640 | add | Please add a benzene ring to the molecule COc1ccc(C(=C[NH+](C)C)C(=O)c2ccc(OC)cc2OB(F)F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C(=C[NH+](C)C)C(=O)c2ccc(OC)cc2OB(F)F)cc1. | COc1ccc(C(=C[NH+](C)C)C(=O)c2ccc(OC)c(-c3ccccc3)c2OB(F)F)cc1 | benzene | null |
d6545733-1851-47e7-89d1-b187a5776383 | add | Modify the molecule O=Cc1c2c(nn1-c1ccccc1)CCOC2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=Cc1c2c(nn1-c1ccccc1)CCOC2 | O=Cc1c2c(nn1-c1ccccc1)CC(c1ccccc1)OC2 | benzene | null |
405bed3a-071b-4b22-9c31-8b20b2d28915 | add | Modify the molecule CC(C)(C)OC(=O)C1CCC2CCC(CO)C([NH3+])C(=O)N21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)OC(=O)C1CCC2CCC(CO)C([NH3+])C(=O)N21 | CC(C)(C)OC(=O)C1CCC2CCC(O)(CO)C([NH3+])C(=O)N21 | hydroxyl | null |
f4ca69ca-d0db-4557-88d3-2cdab0c64d75 | add | Modify the molecule CCCC1(C(=O)[O-])CCN(C(=O)C(C)(C)CC)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC1(C(=O)[O-])CCN(C(=O)C(C)(C)CC)CC1 | CCCC1(C(=O)[O-])CCN(C(=O)C(C)(CC)CO)CC1 | hydroxyl | null |
977c1a9c-c48f-4624-be5e-b6540a708b50 | add | Modify the molecule Cc1cccc2c(=O)cc(C(=O)Nc3ccc(F)cc3)oc12 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc2c(=O)cc(C(=O)Nc3ccc(F)cc3)oc12 | Cc1cccc2c(=O)c(C(=O)O)c(C(=O)Nc3ccc(F)cc3)oc12 | carboxyl | null |
9bd8c4a4-2240-4a61-875e-e32052a0c785 | add | Please add a benzene ring to the molecule Cc1cc(C)c(NC(=O)C2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C)c(NC(=O)C2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1. | Cc1cc(C)c(NC(=O)C2(c3ccccc3)Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1 | benzene | null |
e8fbff3c-9262-458e-9577-dd949e3afd33 | add | Modify the molecule CC(C)[NH2+]CC1CCCN1CC1CCCCC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)[NH2+]CC1CCCN1CC1CCCCC1 | CC(C)[NH2+]CC1CCCN1CC1CCCC(O)C1 | hydroxyl | null |
50f9ec8b-38cd-4eb9-94b7-e07f6c13406c | add | Modify the molecule CC(NS(=O)(=O)Cc1noc2ccccc12)c1cnn(C)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(NS(=O)(=O)Cc1noc2ccccc12)c1cnn(C)c1 | CC(NS(=O)(=O)C(O)c1noc2ccccc12)c1cnn(C)c1 | hydroxyl | null |
242a49b5-d8dd-4cb6-accb-cc46a6f6a301 | add | Please add a aldehyde to the molecule CCn1nc(C)c(Cl)c1CC(O)C[NH+](C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | CCn1nc(C)c(Cl)c1CC(O)C[NH+](C)C. | CCn1nc(C)c(Cl)c1C(CC=O)C(O)C[NH+](C)C | aldehyde | null |
7da26799-6d55-492c-b384-eb4b15eae52b | add | Modify the molecule O=C(Nc1nc(-c2cc(O)ccc2O)cs1)c1c(F)cccc1F by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Nc1nc(-c2cc(O)ccc2O)cs1)c1c(F)cccc1F | O=C(Nc1nc(-c2cc(O)cc(O)c2O)cs1)c1c(F)cccc1F | hydroxyl | null |
2adb5d08-321d-4b7e-a98a-b38e1937e1a1 | add | Modify the molecule COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCC[NH+]2CCN(C)CC2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCC[NH+]2CCN(C)CC2)n1 | COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2O)nc(OCC[NH+]2CCN(C)CC2)n1 | hydroxyl | null |
a4c12fcc-0678-49d5-80b5-1fa11907eb41 | add | Modify the molecule CCc1nncn1CCNC(NCCCn1c(C)nc2ccccc21)=[NH+]Cc1ccco1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1nncn1CCNC(NCCCn1c(C)nc2ccccc21)=[NH+]Cc1ccco1 | Cc1nc2ccccc2n1CCCNC(NCCn1cnnc1CCc1ccccc1)=[NH+]Cc1ccco1 | benzene | null |
6a1965f3-28e3-43e1-8869-525125201b2c | add | Please add a benzene ring to the molecule COc1ccc2c(c1)CCn1c-2cc(OCc2cnc(Oc3ccc(F)cc3)c(F)c2)nc1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc2c(c1)CCn1c-2cc(OCc2cnc(Oc3ccc(F)cc3)c(F)c2)nc1=O. | COc1ccc2c(c1-c1ccccc1)CCn1c-2cc(OCc2cnc(Oc3ccc(F)cc3)c(F)c2)nc1=O | benzene | null |
a9ce1821-c7f3-4252-944b-86544f0051d2 | add | Modify the molecule Cc1nn(C)c(N2CC(C)C(C)C2)c1CC[NH3+] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1nn(C)c(N2CC(C)C(C)C2)c1CC[NH3+] | Cc1nn(CO)c(N2CC(C)C(C)C2)c1CC[NH3+] | hydroxyl | null |
ca4b60ff-ec6b-45c0-8805-6ecd986e4df8 | add | Please add a amine to the molecule CCCCCCCC(=O)N(CC[NH+]1CCN(C(=O)CCCC)CC1)Cc1ccc(F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCC(=O)N(CC[NH+]1CCN(C(=O)CCCC)CC1)Cc1ccc(F)cc1. | CCCCCCCC(=O)N(Cc1ccc(F)cc1)C(N)C[NH+]1CCN(C(=O)CCCC)CC1 | amine | null |
21bbcb8a-c301-489e-83f2-0f33f22f58c8 | add | Modify the molecule CCc1n[nH]c(=S)n1C1CCOC1C1CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1n[nH]c(=S)n1C1CCOC1C1CC1 | CCc1n[nH]c(=S)n1C1CC(c2ccccc2)OC1C1CC1 | benzene | null |
02985827-a0de-4416-a3ef-88b3c6d24e85 | add | Please add a hydroxyl to the molecule COC(=O)C(Br)C[NH+](C)CCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)C(Br)C[NH+](C)CCc1ccccc1. | COC(=O)C(Br)C[NH+](C)CCc1ccc(O)cc1 | hydroxyl | null |
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