blc-org/A-secret-data-repo huggingface dataset:
Task: mol_edit
removed_group: aldehyde
molecule: CCN(Cc1ccccn1)c1ccc(C=O)o1
Task: mol_edit
removed_group: aldehyde
molecule: Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)c(C=O)n1
Task: mol_edit
removed_group: amide
molecule: O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc(Cl)ccc1O
Task: mol_edit
removed_group: amide
molecule: CC[C@@H](NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)c1nc2ccccc2[nH]1
Task: mol_edit
removed_group: amine
molecule: O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(O)nc1
Task: mol_edit
removed_group: amine
molecule: Nc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)[O-]
Task: mol_edit
removed_group: benzene_ring
molecule: COc1ccc(CCNc2ncnc3sc(C(=O)[O-])c(C)c23)cc1OC
Task: mol_edit
removed_group: benzene_ring
molecule: CC(=O)Nc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1
Task: mol_edit
removed_group: halo
molecule: O=C(NCc1nncn1C1CC1)Nc1cccc(Cl)c1F
Task: mol_edit
removed_group: halo
molecule: O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1
Task: mol_edit
removed_group: hydroxyl
molecule: O=C(CC1(n2cccc2)CCCCC1)NCCO
Task: mol_edit
removed_group: hydroxyl
molecule: O=C(Cn1nc2c(cc1=O)CCCC2)N1CC[C@]2(O)CCCC[C@@H]2C1
Task: mol_edit
removed_group: nitrile
molecule: CCSCCOC(=O)/C=C/c1cccc(C#N)c1
Task: mol_edit
removed_group: nitrile
molecule: N#CCC[C@H](C#N)CN1CCc2c(cccc2N2CCOC2=O)C1
Task: mol_edit
removed_group: nitro
molecule: O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1F
Task: mol_edit
removed_group: nitro
molecule: O=C([O-])CCCC(=O)Nc1ccc([N+](=O)[O-])cc1
Task: mol_edit
removed_group: thiol
molecule: Sc1sccc1/C=N/c1ccc2ccccc2c1
Task: mol_edit
removed_group: thiol
molecule: SCC1(COC2CCCC2)CC1
Task: mol_edit
removed_group: carboxyl
molecule: COC(=O)c1ccc(NC(=O)C2CCN(C(=O)O)CC2)cc1
Task: mol_edit
removed_group: carboxyl
molecule: O=C(O)C2CCCN2C(=O)[C@H](NC(=O)c3ccccc3)C(=O)O