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 |
|---|---|---|---|---|---|---|
b805448f-1088-4fc3-a114-bffbf895d859 | sub | Please substitute a halo in the molecule CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3Cl)c2-c2nc3ccccc3s2)C1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3Cl)c2-c2nc3ccccc3s2)C1 | CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3NO2)c2-c2nc3ccccc3s2)C1 | nitro | halo |
c6250a7a-bb20-4985-a5e9-3a0b9e90065e | sub | Please substitute a hydroxyl in the molecule CC(O)c1cc([N+](=O)[O-])c(SCCCO)s1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(O)c1cc([N+](=O)[O-])c(SCCCO)s1 | CC(I)c1cc([N+](=O)[O-])c(SCCCO)s1 | halo | hydroxyl |
1147c84a-a43d-4e20-8e9c-c5ab5b378e3a | sub | Please substitute a halo in the molecule O=C(NCc1ccc(Br)cc1)c1cc(Br)sc1Br with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCc1ccc(Br)cc1)c1cc(Br)sc1Br | ONc1ccc(CNC(=O)c2cc(Br)sc2Br)cc1 | nitro | halo |
cc70a4ea-4eb6-4813-8fa1-74bdf5954935 | sub | Modify the molecule NC(=O)Cc1ccc(S(=O)(=O)Cl)cc1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | NC(=O)Cc1ccc(S(=O)(=O)Cl)cc1 | NC(=O)Cc1ccc(S(=O)(=O)C(=O)[OH])cc1 | carboxyl | halo |
3682a521-b0a8-4904-b125-8487970793cc | sub | Modify the molecule CCC[NH2+]C(c1ccc(CCOC)cc1)c1ccc(Br)o1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC[NH2+]C(c1ccc(CCOC)cc1)c1ccc(Br)o1 | CCC[NH2+]C(c1ccc(CCOC)cc1)c1ccc(C(=O)[OH])o1 | carboxyl | halo |
a6739e9a-55af-4858-8f1b-6d61c0c5c1a6 | sub | Modify the molecule N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1F by substituting a nitrile with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1F | ONCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1F | nitro | nitrile |
6076b6aa-b612-437a-ad94-e6acf5961b25 | sub | Modify the molecule CC(C)(C)OC(=O)N1CCC(NC(=S)N2CCCCC2CCO)CC1 by substituting a hydroxyl with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)OC(=O)N1CCC(NC(=S)N2CCCCC2CCO)CC1 | CC(C)(C)OC(=O)N1CCC(NC(=S)N2CCCCC2CC[N+](=O)[O-])CC1 | nitro | hydroxyl |
0c5a5f52-0964-4427-99e3-3b526243ffbf | sub | Please substitute a halo in the molecule O=C(C=Cc1ccc(F)cc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(C=Cc1ccc(F)cc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1 | O=C(C=Cc1ccc(O)cc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1 | hydroxyl | halo |
b8dffa91-5f9e-41a6-a4ac-c981d8f1b3e2 | sub | Modify the molecule CCCCN(C(=O)NCO)C(=O)OC(C)(C)C by substituting a hydroxyl with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCN(C(=O)NCO)C(=O)OC(C)(C)C | CCCCN(C(=O)NCNO)C(=O)OC(C)(C)C | nitro | hydroxyl |
a5ba903d-0a78-492f-ac5d-717ff68e9ef1 | sub | Please substitute a halo in the molecule CC(=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 | CC(=O)c1cnc2nnn(C(=O)c3cc4cccnc4cc3)c2n1 | aldehyde | halo |
8f1b867f-f7d3-4ab7-a207-07ce7c11fed1 | sub | Please substitute a hydroxyl in the molecule CC[NH+]1CCCC1CNC(=O)NCC(C)(O)c1ccc(F)cc1F with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH+]1CCCC1CNC(=O)NCC(C)(O)c1ccc(F)cc1F | CC[NH+]1CCCC1CNC(=O)NCC(C)(Cl)c1ccc(F)cc1F | halo | hydroxyl |
edee943a-7bc8-4b0c-97e0-86fcc97af192 | sub | Please substitute a hydroxyl in the molecule CCC1(O)C(O)c2c(c3c([O-])c4c(=O)ccc(=O)c4c([O-])c3c2=[N+]=[N-])C2OC3(CC)C(O)c4c(c5c([O-])c6c(=O)ccc(=O)c6c([O-])c5c4=[N+]=[N-])C(O)C3C21 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1(O)C(O)c2c(c3c([O-])c4c(=O)ccc(=O)c4c([O-])c3c2=[N+]=[N-])C2OC3(CC)C(O)c4c(c5c([O-])c6c(=O)ccc(=O)c6c([O-])c5c4=[N+]=[N-])C(O)C3C21 | CCC1(S)C(O)c2c(c3c([O-])c4c(=O)ccc(=O)c4c([O-])c3c2=[N+]=[N-])C2OC3(CC)C(O)c4c(c5c([O-])c6c(=O)ccc(=O)c6c([O-])c5c4=[N+]=[N-])C(O)C3C21 | thiol | hydroxyl |
2da5a179-db8d-42ff-9879-0f2812a5e20a | sub | Please substitute a halo in the molecule O=C(Nc1ccc(I)cc1)c1ccc2c3c(cccc13)CC2 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Nc1ccc(I)cc1)c1ccc2c3c(cccc13)CC2 | O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc13)CC2 | nitro | halo |
af3ca804-a847-478b-9a74-c3e3163de1d4 | sub | Please substitute a halo in the molecule Cc1cc(C[NH+]2C3CCC2CC(=O)C3)ccc1F with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C[NH+]2C3CCC2CC(=O)C3)ccc1F | Cc1cc(C[NH+]2C3CCC2CC(=O)C3)ccc1O | hydroxyl | halo |
f68fbd5c-d048-4f79-a446-7de21f5fbea8 | sub | Modify the molecule CCCOCC(Cc1cncc(Br)c1)[NH2+]CC by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCOCC(Cc1cncc(Br)c1)[NH2+]CC | CCCOCC(Cc1cncc(NO)c1)[NH2+]CC | nitro | halo |
e0749dc9-6d00-4998-b9ad-baac435a5489 | sub | Please substitute a hydroxyl in the molecule N#CC(=C[NH2+]Cc1ccccc1Br)C(=O)Nc1ccccc1O with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CC(=C[NH2+]Cc1ccccc1Br)C(=O)Nc1ccccc1O | N#CC(=C[NH2+]Cc1ccccc1Br)C(=O)Nc1ccccc1C(=O)O | carboxyl | hydroxyl |
e91ee108-6288-4647-b6ec-83f0e836ab07 | sub | Please substitute a halo in the molecule CCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OCC with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OCC | CCCCOc1c(S)cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OCC | thiol | halo |
17ac3881-7286-415f-a4bb-19a82e1f02e1 | sub | Please substitute a halo in the molecule CCCC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 | CCCC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3S)c2Cl)CC1 | thiol | halo |
673beea1-676d-4817-9da0-47dc8bdef7bf | sub | Modify the molecule CCCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl | CCCNC(=O)C(C)N(Cc1ccc(C(=O)O)cc1)C(=O)Cc1ccccc1Cl | carboxyl | halo |
06835f38-ac61-49b4-a3ba-e212f815858d | sub | Please substitute a halo in the molecule CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O | CC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1[N+](=O)[O-] | aldehyde | halo |
884e1864-17aa-4cbf-b149-4785097b5135 | sub | Please substitute a halo in the molecule Cc1cc(F)ccc1NC(=O)N1CC2(CCCC2)C1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(F)ccc1NC(=O)N1CC2(CCCC2)C1 | Cc1cc(C#N)ccc1NC(=O)N1CC2(CCCC2)C1 | nitrile | halo |
5f537486-31d8-4b14-b3fc-0646173b8c5a | sub | Please substitute a hydroxyl in the molecule CCCCCC(O)c1ccc(CN(Cc2ccc(OCC(=O)[O-])cc2)S(=O)(=O)c2ccccn2)cc1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCC(O)c1ccc(CN(Cc2ccc(OCC(=O)[O-])cc2)S(=O)(=O)c2ccccn2)cc1 | CCCCCC(C#N)c1ccc(CN(Cc2ccc(OCC(=O)[O-])cc2)S(=O)(=O)c2ccccn2)cc1 | nitrile | hydroxyl |
b8114ab0-e273-4fae-aad9-5c68b609b1ed | sub | Please substitute a halo in the molecule CC(OC(C)(C)C)C(NC(=O)CNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)[O-] with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(OC(C)(C)C)C(NC(=O)CNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)[O-] | CC(OC(C)(C)C)C(NC(=O)CNS(=O)(=O)c1ccc(-c2ccc(S)cc2)cc1)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)[O-] | thiol | halo |
834ceea8-e651-4fb5-a809-4e1cedafc84d | sub | Please substitute a hydroxyl in the molecule CC1CCC(Nc2ccc(O)cc2)c2ccccc21 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CCC(Nc2ccc(O)cc2)c2ccccc21 | CC1CCC(Nc2ccc(C#N)cc2)c2ccccc21 | nitrile | hydroxyl |
22cdeca4-ea0d-4d3d-a073-49bed29f880c | sub | Please substitute a nitro in the molecule CCN1CC[NH+](C2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)CC1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN1CC[NH+](C2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)CC1 | CCN1CC[NH+](C2CCN(c3cc(CO)ccc3I)C2)CC1 | halo | nitro |
f9209aa4-37e5-43d0-96e6-39227e124e70 | sub | Please substitute a hydroxyl in the molecule CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1 | CC(C)(I)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1 | halo | hydroxyl |
0f4a3e62-788d-45e1-ba63-73901ccf7e3b | sub | Please substitute a hydroxyl in the molecule CCC(C(=O)OC)C(C)=NCCCO with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C(=O)OC)C(C)=NCCCO | CCC(C(=O)OC)C(C)=NCCCC#N | nitrile | hydroxyl |
62435059-d2db-4c59-9d65-ad7472fe9859 | sub | Please substitute a hydroxyl in the molecule O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(OC3C(Oc4c(-c5ccc(O)c(O)c5)oc5cc(=O)cc([O-])c-5c4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(OC3C(Oc4c(-c5ccc(O)c(O)c5)oc5cc(=O)cc([O-])c-5c4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O | CC(=O)c1ccc(C=CC(=O)OCC2OC(OC3C(OC4C(Oc5c(-c6ccc(O)c(O)c6)oc6cc(=O)cc([O-])c-6c5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)cc1O | aldehyde | hydroxyl |
412a28fa-aaf2-4759-b8d3-8a01c658a742 | sub | Modify the molecule N#Cc1cccc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)no2)c1 by substituting a halo with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1cccc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)no2)c1 | N#Cc1cccc(-c2nc(-c3ncc(C(O)(F)F)cc3Cl)no2)c1 | hydroxyl | halo |
d02e9fa7-1dfa-4446-bc79-c05ee3bc4d0e | sub | Please substitute a halo in the molecule CCC(CC)N(CCO)c1ccc(C[NH3+])cc1F with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(CC)N(CCO)c1ccc(C[NH3+])cc1F | CCC(CC)N(CCO)c1ccc(C[NH3+])cc1O | hydroxyl | halo |
c0fed816-b82d-4c5f-bb76-934e4bfe2a32 | sub | Modify the molecule Cc1ccc(-c2c(N)c(C#N)nc3sc4c(c23)CCCC4)cc1 by substituting a nitrile with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(-c2c(N)c(C#N)nc3sc4c(c23)CCCC4)cc1 | Cc1ccc(-c2c(N)c(S)nc3sc4c(c23)CCCC4)cc1 | thiol | nitrile |
54664f03-4b3e-4a42-88f6-918a623eb3d0 | sub | Please substitute a halo in the molecule Cc1cc(=O)n(CC(=O)NCc2ccccc2Br)c(N2CCOCC2)n1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(=O)n(CC(=O)NCc2ccccc2Br)c(N2CCOCC2)n1 | Cc1cc(=O)n(CC(=O)NCc2ccccc2C(=O)O)c(N2CCOCC2)n1 | carboxyl | halo |
1593a70e-73c7-40b4-aa4c-e9123a6d4bdd | sub | Please substitute a halo in the molecule CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2cccc(F)c2)n1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2cccc(F)c2)n1 | CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2cccc(C(=O)[OH])c2)n1 | carboxyl | halo |
4f7f0c2d-0c54-48e2-bb9d-d748906370de | sub | Please substitute a hydroxyl in the molecule Cc1cc(Cl)ccc1C(=O)NC1(CO)CCC1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(Cl)ccc1C(=O)NC1(CO)CCC1 | Cc1cc(Cl)ccc1C(=O)NC1(C(NO2))CCC1 | nitro | hydroxyl |
7b295bc8-e87f-48f9-a362-5bed2faeb2fe | sub | Please substitute a halo in the molecule O=C(C1COC1)N1CC[NH+](CC2=C(c3ccc(Cl)cc3)[NH2+]C3CNC(C4CC4)=CN23)CC1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(C1COC1)N1CC[NH+](CC2=C(c3ccc(Cl)cc3)[NH2+]C3CNC(C4CC4)=CN23)CC1 | O=C(C1COC1)N1CC[NH+](CC2=C(c3ccc(S)cc3)[NH2+]C3CNC(C4CC4)=CN23)CC1 | thiol | halo |
f98046cd-656c-44f3-b416-848fd273714f | sub | Please substitute a halo in the molecule O=C(NCC[NH+]1CCOCC1)c1ccc(C[NH+](Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)o1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCC[NH+]1CCOCC1)c1ccc(C[NH+](Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)o1 | O=C([OH])c1ccc(C[NH+](Cc2ccc3c(c2)OCO3)Cc2ccc(C(=O)NCC[NH+]3CCOCC3)o2)cc1 | carboxyl | halo |
e5168ca2-1520-4610-985e-9f2143578462 | sub | Modify the molecule N#Cc1c2c(nn1C1CCCC1)CCCC2 by substituting a nitrile with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1c2c(nn1C1CCCC1)CCCC2 | ONc1c2c(nn1C1CCCC1)CCCC2 | nitro | nitrile |
23fc9d52-910e-46ed-8332-179d4bc9a90c | sub | Please substitute a halo in the molecule COc1ccccc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccccc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 | COc1ccccc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2[N+](=O)[O-])o1 | nitro | halo |
72d8fa54-d59c-4d7f-a230-5b1f253d331f | sub | Please substitute a halo in the molecule Cc1ccnn1Cc1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccnn1Cc1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 | Cc1ccnn1Cc1nnc(Nc2ccn(Cc3c(S)cccc3Cl)n2)s1 | thiol | halo |
473a1a1b-d176-4643-9180-bfe666f5c2e7 | sub | Modify the molecule C=CCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O by substituting a halo with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O | C=CCOc1ccc(O)cc1C=C1C(=O)NC(=S)NC1=O | hydroxyl | halo |
79f176ef-9c58-429c-a8ee-9634ff0ecae4 | sub | Please substitute a halo in the molecule O=C1CCCN1S(=O)(=O)c1ccc(Br)s1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1CCCN1S(=O)(=O)c1ccc(Br)s1 | N#Cc1ccc(S(=O)(=O)N2CCCC2=O)s1 | nitrile | halo |
051b8389-c17b-46c0-bbc6-77ed9fbf095a | sub | Please substitute a hydroxyl in the molecule CC(NC(=O)C1CC2CCC1O2)C(O)Cc1ccccc1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(NC(=O)C1CC2CCC1O2)C(O)Cc1ccccc1 | CC(NC(=O)C1CC2CCC1O2)C(C(=O)c1ccccc1)CC | aldehyde | hydroxyl |
eb53fa20-2dc9-443a-9337-c614f1536d2f | sub | Please substitute a halo in the molecule CS(=O)(=O)CCNCCOc1ccccc1OC(F)(F)F with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)(=O)CCNCCOc1ccccc1OC(F)(F)F | CS(=O)(=O)CCNCCOc1ccccc1OC(F)(F)C#N | nitrile | halo |
2ef1e0da-ca7b-4ca0-ac34-9efadc624e5e | sub | Please substitute a halo in the molecule CCNC(NCC(SC)c1cccc(Cl)c1)=[NH+]CC(=O)NC(C)(C)C with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNC(NCC(SC)c1cccc(Cl)c1)=[NH+]CC(=O)NC(C)(C)C | CCNC(NCC(SC)c1ccc(C=O)cc1)=[NH+]CC(=O)NC(C)(C)C | aldehyde | halo |
e76cabea-9fa1-4733-ba4f-385a497c5cd3 | sub | Please substitute a hydroxyl in the molecule CCCOc1cccc(C2C(c3ccc(OC)c(OCC)c3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)c1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCOc1cccc(C2C(c3ccc(OC)c(OCC)c3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)c1 | CCCOc1cccc(C2C(c3ccc(OC)c(OCC)c3)=C(F)C(=O)N2c2ccc(N3CCCCC3)cc2)c1 | halo | hydroxyl |
2a109678-49b4-4f8c-9ab2-9394cd03f650 | sub | Modify the molecule CC(C)[NH2+]CC(Cc1cc(Br)cs1)C1CCS(=O)(=O)C1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)[NH2+]CC(Cc1cc(Br)cs1)C1CCS(=O)(=O)C1 | CC(C)[NH2+]CC(Cc1cc(C(=O)[OH])cs1)C1CCS(=O)(=O)C1 | carboxyl | halo |
7af988b5-78f7-4e9a-b22b-f6a3a593c77a | sub | Please substitute a halo in the molecule O=C(Cc1c(Cl)cccc1Cl)C1=COCCC1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Cc1c(Cl)cccc1Cl)C1=COCCC1 | O=C(Cc1c(S)cccc1Cl)C1=COCCC1 | thiol | halo |
296f5420-dea5-4516-92e3-2b3e72f686e7 | sub | Please substitute a nitrile in the molecule CCOc1ccc(CSc2nc3c(cc2C#N)CCCCC3)cc1-n1nc2ccccc2n1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(CSc2nc3c(cc2C#N)CCCCC3)cc1-n1nc2ccccc2n1 | CCOc1ccc(CSc2nc3c(cc2S)CCCCC3)cc1-n1nc2ccccc2n1 | thiol | nitrile |
8b41f5e3-1a0b-4210-831a-bd28698d083b | sub | Modify the molecule CC([NH3+])C1=[NH+]N(c2cccc(Cl)c2)C2SC=NN12 by substituting a halo with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CC([NH3+])C1=[NH+]N(c2cccc(Cl)c2)C2SC=NN12 | CC([NH3+])C1=[NH+]N(c2cccc(S)c2)C2SC=NN12 | thiol | halo |
d5348ae3-a847-4bb7-b219-707604427ab2 | sub | Please substitute a halo in the molecule Cn1nc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(-c3ccccc3F)c2c1N with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1nc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(-c3ccccc3F)c2c1N | CC(=O)c1ccccc1-c1nc(N2CCN(C(=O)C3CCCO3)CC2)nc2nn(C)c(N)c12 | aldehyde | halo |
cdb83bdb-fd14-46ef-b69d-64bc7e841a6b | sub | Please substitute a halo in the molecule O=C(COC1CC[NH2+]C1)Nc1ccccc1Cl with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(COC1CC[NH2+]C1)Nc1ccccc1Cl | O=C(COC1CC[NH2+]C1)Nc1ccc(C=O)cc1 | aldehyde | halo |
864be90f-c4b3-4ab7-8355-43a03b91c836 | sub | Please substitute a hydroxyl in the molecule Cc1cc(C(=O)N(C)CC(O)C(F)(F)F)c2c(C)noc2n1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C(=O)N(C)CC(O)C(F)(F)F)c2c(C)noc2n1 | CC(=O)C(CN(C)C(=O)c1cc(C)nc2onc(C)c12)C(F)(F)F | aldehyde | hydroxyl |
8717a0b5-b7cb-4355-8cea-3db5d584ef92 | sub | Modify the molecule CCCN(C(N)=[NH2+])c1ccc(F)cc1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCN(C(N)=[NH2+])c1ccc(F)cc1 | CCCN(C(N)=[NH2+])c1ccc(C(=O)[OH])cc1 | carboxyl | halo |
0a87697d-d9fa-4c2e-8376-7b65d7dcd3a2 | sub | Modify the molecule CC(C)CC(=O)N1CCc2nc(NC(=O)CCl)sc2C1 by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CC(=O)N1CCc2nc(NC(=O)CCl)sc2C1 | CC(C)CC(=O)N1CCc2nc(NC(=O)C([N+](=O)[O-])sc2C1 | nitro | halo |
8ac60bad-18a0-4cb9-81be-2bab294e285d | sub | Please substitute a hydroxyl in the molecule CCC1CC1(NC(=O)C1CC2CN1C(=O)C(C1CCCC1)NC(=O)OC1CCCC1CCCCCc1c(cc3ccccc3[n+]1O)O2)C(=O)NS(=O)(=O)C1CC1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1CC1(NC(=O)C1CC2CN1C(=O)C(C1CCCC1)NC(=O)OC1CCCC1CCCCCc1c(cc3ccccc3[n+]1O)O2)C(=O)NS(=O)(=O)C1CC1 | CCC1CC1(NC(=O)C1CC2CN1C(=O)C(C1CCCC1)NC(=O)OC1CCCC1CCCCCc1c(cc3ccccc3[n+]1NO)O2)C(=O)NS(=O)(=O)C1CC1 | nitro | hydroxyl |
814212c0-c97f-4c1c-bf28-a4eab06242c0 | sub | Please substitute a halo in the molecule CCCCCCCCOC(=O)C=CCl with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCCOC(=O)C=CCl | CCCCCCCCCOC(=O)C=CC(=O)O | carboxyl | halo |
7bcc3b1a-7e0d-4050-8d5e-a64db759d87f | sub | Please substitute a hydroxyl in the molecule CC(O)C(C)(C)C[NH+]1CCCCC1CCO with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(O)C(C)(C)C[NH+]1CCCCC1CCO | CC(C#N)C(C)(C)C[NH+]1CCCCC1CCO | nitrile | hydroxyl |
05fef804-38be-4cae-87bd-9013b8a813b3 | sub | Please substitute a halo in the molecule COc1ccc(CCc2ccc(OC)cc2Cl)cc1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(CCc2ccc(OC)cc2Cl)cc1 | COc1ccc(CCc2ccc(OC)cc2C#N)cc1 | nitrile | halo |
9d980baa-011d-4a18-b85a-2cbfa5858ad2 | sub | Modify the molecule Cc1cccc(C(C)C)c1NC(=O)C(C#N)=C[NH2+]CCCCCO by substituting a nitrile with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(C(C)C)c1NC(=O)C(C#N)=C[NH2+]CCCCCO | Cc1cccc(C(C)C)c1NC(=O)C(O)=C[NH2+]CCCCCO | hydroxyl | nitrile |
0644c651-8564-4d5b-948c-c350bcd0d44f | sub | Please substitute a halo in the molecule CCCN1C(=O)NC(=Cc2cc(Br)c(OCC)cc2OCC)C1=O with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCN1C(=O)NC(=Cc2cc(Br)c(OCC)cc2OCC)C1=O | CCCN1C(=O)NC(=Cc2cc(C=O)c(OCC)cc2OCC)C1=O | aldehyde | halo |
dbac7e26-b8c8-472d-bf9f-b637a3322260 | sub | Modify the molecule COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1 by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1 | COc1cccc(CN2CCCN(Cc3ccc(NO)cc3)S2(=O)=O)c1 | nitro | halo |
356f4bc4-3764-4872-a6da-0ed53d775d0b | sub | Modify the molecule N#Cc1c(NC2C[NH2+]C2)nn(C2CCCCC2O)c1N by substituting a hydroxyl with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1c(NC2C[NH2+]C2)nn(C2CCCCC2O)c1N | N#Cc1c(NC2C[NH2+]C2)nn(C2CCCCC2F)c1N | halo | hydroxyl |
1bb894d4-128b-47d1-942c-675e442665eb | sub | Please substitute a halo in the molecule O=C([O-])CCc1ccccc1OCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])CCc1ccccc1OCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 | O=C([O-])CCc1ccccc1OCCC[NH2+]C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 | hydroxyl | halo |
35967a39-71b1-48e5-8e5f-a7fee9861c03 | sub | Please substitute a halo in the molecule Fc1cccc(F)c1-c1cccc(Br)n1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Fc1cccc(F)c1-c1cccc(Br)n1 | CC(=O)c1cccc(F)c1-c1cccc(Br)n1 | aldehyde | halo |
8fd99497-ebe6-4bc7-8045-254447e83f6d | sub | Please substitute a halo in the molecule O=C(CNc1cc2ccccc2c(Cl)n1)N1CCCC1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CNc1cc2ccccc2c(Cl)n1)N1CCCC1 | CC(=O)c1nc(NCC(=O)N2CCCC2)cc2ccccc12 | aldehyde | halo |
ea727a37-4d92-4bf6-b7db-5aa74111a8af | sub | Modify the molecule CC1CCCC1C[NH2+]Cc1cc(Cl)cc(Cl)c1O by substituting a hydroxyl with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CCCC1C[NH2+]Cc1cc(Cl)cc(Cl)c1O | CC1CCCC1C[NH2+]Cc1cc(Cl)cc(Cl)c1C#N | nitrile | hydroxyl |
9cf4fbed-ae4d-420f-8d39-4397cc0c8ebe | sub | Please substitute a halo in the molecule O=C(C[NH+](CCO)C1CCCCC1)Nc1cccc(C(F)(F)F)c1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(C[NH+](CCO)C1CCCCC1)Nc1cccc(C(F)(F)F)c1 | O=C(C[NH+](CCO)C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 | nitro | halo |
2b1f412e-5903-4fce-9c9e-51f57ef01631 | sub | Modify the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)C(C)C)CC2)cccc1C(=O)Nc1ccc(F)cc1 by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)C(C)C)CC2)cccc1C(=O)Nc1ccc(F)cc1 | CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)C(C)C)CC2)cccc1C(=O)Nc1ccccc1 | aldehyde | halo |
de08fe33-ece5-4a37-b14b-9b835b9bf39f | sub | Please substitute a halo in the molecule CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(I)cc2)c1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(I)cc2)c1 | CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(S)cc2)c1 | thiol | halo |
27cdfb0a-a3fc-4108-b047-a9803a685b09 | sub | Please substitute a halo in the molecule O=C([O-])c1nc(CN2CC[NH2+]CC2)n2c(Cl)cccc12 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])c1nc(CN2CC[NH2+]CC2)n2c(Cl)cccc12 | O=C([O-])c1nc(CN2CC[NH2+]CC2)n2c(O)cccc12 | hydroxyl | halo |
e614ae11-f012-4520-b6c9-228136ffacd4 | sub | Please substitute a halo in the molecule FC(F)(F)c1cccc(Cn2cnc(C[NH2+]C3CC3)c2)c1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | FC(F)(F)c1cccc(Cn2cnc(C[NH2+]C3CC3)c2)c1 | FC(F)(S)c1cccc(Cn2cnc(C[NH2+]C3CC3)c2)c1 | thiol | halo |
51d9e762-0cd3-4761-98f2-7f8af6c1eb88 | sub | Modify the molecule O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cccc(F)c1 by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cccc(F)c1 | N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 | nitrile | halo |
fa3763e3-535b-446f-8f6f-ab5589b6a88c | sub | Modify the molecule CC(C(=O)OC(C)CC(=C(C)C(=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=C(CC(C)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F by substituting a hydroxyl with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C(=O)OC(C)CC(=C(C)C(=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=C(CC(C)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F | CC(C(=O)OC(C)CC(=C(C)C(=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=C(CC(C)[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F | nitro | hydroxyl |
cf5f5daf-2f61-4a1d-ac03-077db94cec64 | sub | Please substitute a halo in the molecule NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1-c1ccccc1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1-c1ccccc1 | NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2S)c1-c1ccccc1 | thiol | halo |
6abac77a-5933-4967-aafd-2eed74764744 | sub | Modify the molecule O=C1NNC(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1NNC(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 | O=C1NNC(=O)C1=Cc1ccc(-c2ccc(C=O)cc2)o1 | aldehyde | halo |
eb9a3389-66db-40fd-a06d-09f9c4f9158d | sub | Please substitute a halo in the molecule COC(=O)Cc1ccc(NC(=O)c2nccc3ccc(F)cc23)c(Cl)c1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)Cc1ccc(NC(=O)c2nccc3ccc(F)cc23)c(Cl)c1 | COC(=O)Cc1ccc(NC(=O)c2nccc3ccc(F)cc23)c(C=O)c1 | aldehyde | halo |
c1402c30-3ab5-4193-9485-491ba0c0a757 | sub | Please substitute a nitrile in the molecule N#Cc1ccc2cc(C3([NH3+])CCCCN3C(=O)[O-])ccc2n1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1ccc2cc(C3([NH3+])CCCCN3C(=O)[O-])ccc2n1 | [NH3+]C1(c2ccc3nc(NO)ccc3c2)CCCCN1C(=O)[O-] | nitro | nitrile |
c2c1bca0-ba69-4281-ac0e-071082060833 | sub | Please substitute a halo in the molecule Cc1c(C(=O)CNc2ccc3ccccc3c2)oc2ccc(F)cc12 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1c(C(=O)CNc2ccc3ccccc3c2)oc2ccc(F)cc12 | Cc1c(C(=O)CNc2ccc3ccccc3c2)oc2ccc(C(=O)[OH])cc12 | carboxyl | halo |
e9d5172a-5e24-4f0a-9ef3-f9008db8b591 | sub | Modify the molecule COCCOCC[NH2+]Cc1cc(Br)c(Cl)s1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COCCOCC[NH2+]Cc1cc(Br)c(Cl)s1 | COCCOCC[NH2+]Cc1cc(C(=O)[OH])c(Cl)s1 | carboxyl | halo |
b5c2de93-99d7-4484-a2ef-74012c9fb9f7 | sub | Modify the molecule COCCC(CCl)Cc1ccc(F)cc1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COCCC(CCl)Cc1ccc(F)cc1 | COCCC(CC(=O)O)Cc1ccc(F)cc1 | carboxyl | halo |
5998d2b1-e60a-4173-aa34-680e14dfbaeb | sub | Please substitute a halo in the molecule CC(c1ccc(Cl)cc1)N(C)c1cc(F)ccc1N with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(c1ccc(Cl)cc1)N(C)c1cc(F)ccc1N | CC(c1ccc(C#N)cc1)N(C)c1cc(F)ccc1N | nitrile | halo |
19553580-3011-48df-8b3a-52b81ef65a9b | sub | Please substitute a halo in the molecule O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCOCC1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCOCC1 | N#Cc1ccc(C(=O)NCCCC(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 | nitrile | halo |
a9eb0f91-45e1-4688-a7c4-78cd5722bfce | sub | Please substitute a halo in the molecule O=C(NC1CCN(C(=O)C2CCC2)CC1)c1ccccc1Cl with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NC1CCN(C(=O)C2CCC2)CC1)c1ccccc1Cl | O=C(NC1CCN(C(=O)C2CCC2)CC1)c1ccccc1O | hydroxyl | halo |
e3c180e9-cddc-40ed-9e42-fe0d8c2bb4dc | sub | Please substitute a halo in the molecule CCc1cc2cc(Br)c(F)cc2nc1Cl with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1cc2cc(Br)c(F)cc2nc1Cl | CCc1cc2cc(C(=O)[OH])c(F)cc2nc1Cl | carboxyl | halo |
cdeb9f2f-204e-4ed9-ac8c-77531490a4b1 | sub | Modify the molecule CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)C2CC(Br)C(Br)CC2C1=O by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)C2CC(Br)C(Br)CC2C1=O | CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)C2CC(Br)C(C(=O)O)CC2C1=O | carboxyl | halo |
a79be756-0639-4e3e-962a-c72c23194903 | sub | Modify the molecule Nc1ncnc2c1ncn2C1OC(CO[P+](=O)[O-])C(OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1O by substituting a hydroxyl with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | Nc1ncnc2c1ncn2C1OC(CO[P+](=O)[O-])C(OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1O | Nc1ncnc2c1ncn2C1OC(CO[P+](=O)[O-])C(OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(Cl)C2O)C1O | halo | hydroxyl |
a17c7e14-2b98-4932-a82c-aa63abe81568 | sub | Modify the molecule O=C(NC1CCCOc2c(F)cccc21)N1CC2CCC1C[NH2+]2 by substituting a halo with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NC1CCCOc2c(F)cccc21)N1CC2CCC1C[NH2+]2 | O=C(NC1CCCOc2c(O)cccc21)N1CC2CCC1C[NH2+]2 | hydroxyl | halo |
83921888-bc2a-4de3-a8ca-d9d06039dd28 | sub | Modify the molecule CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)cc21 by substituting a hydroxyl with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)cc21 | CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCC#N)CC4)cc3)cc21 | nitrile | hydroxyl |
8b1fdfc7-6af1-424a-9d37-cae19dd7cb36 | sub | Please substitute a hydroxyl in the molecule Nc1cccc(OCC(=O)NCC(O)CO)c1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | Nc1cccc(OCC(=O)NCC(O)CO)c1 | Nc1cccc(OCC(=O)NCC(CO)NO)c1 | nitro | hydroxyl |
d8791e47-cf88-4047-8c62-f374073db0d8 | sub | Please substitute a hydroxyl in the molecule CCCCCCC(CCCCCC)CCCc1ccc(O)cc1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCC(CCCCCC)CCCc1ccc(O)cc1 | CCCCCCC(CCCCCC)CCCc1ccc(S)cc1 | thiol | hydroxyl |
bd680b94-e31e-413d-b27b-b9fa645c3a1c | sub | Please substitute a halo in the molecule COc1cc(F)ccc1NC(C)C(=O)NC(C)(C)C with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cc(F)ccc1NC(C)C(=O)NC(C)(C)C | COc1cc(NO2)ccc1NC(C)C(=O)NC(C)(C)C | nitro | halo |
cd946f8c-f03a-4ea4-9c88-e4cc4ef6b814 | sub | Please substitute a halo in the molecule CC1CN(c2cc(C(=O)N3Cc4cccc(Cl)c4C3)ccn2)CCO1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CN(c2cc(C(=O)N3Cc4cccc(Cl)c4C3)ccn2)CCO1 | CC1CN(c2cc(C(=O)N3Cc4cccc(S)c4C3)ccn2)CCO1 | thiol | halo |
e8379d48-9861-4ac6-8b26-97bdf20ee051 | sub | Please substitute a halo in the molecule CC(C)(C)OC(=O)NC1=[NH+]C(C)(c2nc(Br)ccc2F)C2CCN=S2(=O)C1(C)C with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)OC(=O)NC1=[NH+]C(C)(c2nc(Br)ccc2F)C2CCN=S2(=O)C1(C)C | CC(C)(C)OC(=O)NC1=[NH+]C(C)(c2nc(NO)ccc2F)C2CCN=S2(=O)C1(C)C | nitro | halo |
5048d62e-5f39-41b4-9811-271efd214ac0 | sub | Please substitute a halo in the molecule CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCCCC1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCCCC1 | CC(C)c1cc(Nc2cccc(O)c2)ncc1C(=O)NC1CCCCC1 | hydroxyl | halo |
1a63924c-6b85-43a0-bacf-7b20583314f5 | sub | Please substitute a halo in the molecule Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C | Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(C#N)cc1C | nitrile | halo |
07a27e14-be74-4116-badd-a0ba6748807c | sub | Modify the molecule Cc1ccc(S(=O)(=O)N2CCCC2C2CCC[NH2+]2)c(Br)c1 by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(S(=O)(=O)N2CCCC2C2CCC[NH2+]2)c(Br)c1 | Cc1ccc(S(=O)(=O)N2CCCC2C2CCC[NH2+]2)c(C=O)c1 | aldehyde | halo |
98a1ccce-8fa9-4093-b01e-bc3e2c987fb1 | sub | Please substitute a nitrile in the molecule N#Cc1cn(C2CC2)c2c(N3CC[NH+](CCc4ccccc4)CC3)ncnc12 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1cn(C2CC2)c2c(N3CC[NH+](CCc4ccccc4)CC3)ncnc12 | Brc1cn(C2CC2)c2c(N3CC[NH+](CCc4ccccc4)CC3)ncnc12 | halo | nitrile |
253b8f31-61fc-4c58-b25b-b70812f7d46d | sub | Please substitute a halo in the molecule O=C(NCc1ccccc1F)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CCCC3)CCO2 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCc1ccccc1F)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CCCC3)CCO2 | O=C(NCc1ccccc1O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CCCC3)CCO2 | hydroxyl | halo |
9cd27f65-5d7b-46c2-976d-0116b2a3ced8 | sub | Modify the molecule C[NH2+]C(CC1C[NH2+]CCO1)c1cc(Br)ccc1C by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH2+]C(CC1C[NH2+]CCO1)c1cc(Br)ccc1C | C[NH2+]C(CC1C[NH2+]CCO1)c1cc(C#N)ccc1C | nitrile | halo |
b1b4b93a-3deb-4868-8511-83d009e82024 | sub | Please substitute a halo in the molecule CCC(C)(OC)C(=O)c1ccc(F)cc1F with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C)(OC)C(=O)c1ccc(F)cc1F | CCC(C)(OC)C(=O)c1ccc(S)cc1F | thiol | halo |
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