phenixace/S2-TOMG-Bench
S^2-Bench Dataset (TOMG) (full version, 45k entries) Official Huggingface Datasets for S^2-Bench: "Speak-to-Structure: Evaluating LLMs in Open-domain Natural Language-Driven Molecule Generation" Please refer to our Github Repo for more usage and useful information. Configurations Each configuration represents a different task: MolCustom_AtomNum: Molecular customized generation by atom number MolCustom_BondNum: Molecular customized generation by bond number… See the full description on the dataset page: https://huggingface.co/datasets/phenixace/S2-TOMG-Bench.
1309
1index,Instruction,molecule,removed_group,added_group2208406,Substitute a nitro in the molecule O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(F)ccc1[N+](=O)[O-] with hydroxyl.,O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(F)ccc1[N+](=O)[O-],nitro,hydroxyl3146239,Modify the molecule COc1ccc(F)c(NC2=[NH+]CCCCC2)c1 by replacing a halo by aldehyde.,COc1ccc(F)c(NC2=[NH+]CCCCC2)c1,halo,aldehyde441592,Please substitute a halo in the molecule COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1 by thiol.,COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1,halo,thiol5181147,Please replace a hydroxyl in the molecule C[C@H](O)CC[NH+](C)Cc1ccn(Cc2ccccc2)c1 with nitrile.,C[C@H](O)CC[NH+](C)Cc1ccn(Cc2ccccc2)c1,hydroxyl,nitrile6111333,Please substitute a halo in the molecule CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1 by hydroxyl.,CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1,halo,hydroxyl76833,Modify the molecule Oc1ccc(Cn2ccc(C[NH2+]C3CC3)n2)cc1 by substituting a hydroxyl with carboxyl.,Oc1ccc(Cn2ccc(C[NH2+]C3CC3)n2)cc1,hydroxyl,carboxyl881689,Modify the molecule CC1(C)C(=O)N(Cc2ccccc2Br)S1(=O)=O by replacing a halo by nitrile.,CC1(C)C(=O)N(Cc2ccccc2Br)S1(=O)=O,halo,nitrile9116978,Please replace a nitrile in the molecule CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 with aldehyde.,CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1,nitrile,aldehyde10224,Modify the molecule O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1 by replacing a halo by hydroxyl.,O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1,halo,hydroxyl1159518,Replace a halo in the molecule Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F by carboxyl.,Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F,halo,carboxyl1274057,Replace a hydroxyl in the molecule C[NH2+][C@@H]1[C@@H](CN(CCO)C(C)C)CCC1(C)C by carboxyl.,C[NH2+][C@@H]1[C@@H](CN(CCO)C(C)C)CCC1(C)C,hydroxyl,carboxyl13128075,Please replace a hydroxyl in the molecule C[C@H](O)C[C@H](C)CNC(=O)COc1cc(Cl)cc(Cl)c1 with aldehyde.,C[C@H](O)C[C@H](C)CNC(=O)COc1cc(Cl)cc(Cl)c1,hydroxyl,aldehyde143607,Replace a halo in the molecule COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 by carboxyl.,COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1,halo,carboxyl15129681,Substitute a halo in the molecule Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 with hydroxyl.,Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1,halo,hydroxyl16178677,Please substitute a halo in the molecule O=C(c1c(F)cccc1F)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 by nitrile.,O=C(c1c(F)cccc1F)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1,halo,nitrile17108250,Modify the molecule C[S@](=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1 by substituting a halo with hydroxyl.,C[S@](=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1,halo,hydroxyl18101372,Modify the molecule O=C(c1ccccc1Br)N1CCC[C@H](c2nnc3ccccn23)C1 by substituting a halo with thiol.,O=C(c1ccccc1Br)N1CCC[C@H](c2nnc3ccccn23)C1,halo,thiol19246780,Modify the molecule C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F by replacing a nitrile by halo.,C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F,nitrile,halo2090996,Substitute a halo in the molecule O=C(CSC1=[NH+]CCN1)Nc1cccc(Cl)c1N1CCCCC1 with hydroxyl.,O=C(CSC1=[NH+]CCN1)Nc1cccc(Cl)c1N1CCCCC1,halo,hydroxyl21203002,Please substitute a halo in the molecule Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nccn1C by carboxyl.,Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nccn1C,halo,carboxyl2254480,Please replace a hydroxyl in the molecule C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCCCO with aldehyde.,C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCCCO,hydroxyl,aldehyde23137690,Substitute a halo in the molecule CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2CC with nitro.,CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2CC,halo,nitro2433636,Replace a halo in the molecule CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c(Cl)c1 by aldehyde.,CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c(Cl)c1,halo,aldehyde25212371,Substitute a hydroxyl in the molecule Cc1nc(C[C@@H]2CCC[NH+](Cc3cccc(O)c3)C2)no1 with carboxyl.,Cc1nc(C[C@@H]2CCC[NH+](Cc3cccc(O)c3)C2)no1,hydroxyl,carboxyl26176920,Substitute a halo in the molecule C[C@H]1CCN(Cc2nccn2C(F)F)CC[NH+]1Cc1ccccc1 with thiol.,C[C@H]1CCN(Cc2nccn2C(F)F)CC[NH+]1Cc1ccccc1,halo,thiol2749060,Substitute a halo in the molecule C/C(=C/C(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)cc1F with nitrile.,C/C(=C/C(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)cc1F,halo,nitrile28190324,Substitute a hydroxyl in the molecule C[C@@H](O)[C@@H]1CCC[NH+](CC(=O)N(C)CC(=O)NC2CC2)C1 with nitrile.,C[C@@H](O)[C@@H]1CCC[NH+](CC(=O)N(C)CC(=O)NC2CC2)C1,hydroxyl,nitrile29197359,Please replace a hydroxyl in the molecule Nc1cccnc1SCc1cc(=O)c(O)co1 with carboxyl.,Nc1cccnc1SCc1cc(=O)c(O)co1,hydroxyl,carboxyl30189672,Substitute a halo in the molecule C=CCCOc1cc(Br)ccc1OC with carboxyl.,C=CCCOc1cc(Br)ccc1OC,halo,carboxyl3181585,Replace a hydroxyl in the molecule CC[NH2+]CC[C@](C)(O)c1cccc(OCC)c1 by thiol.,CC[NH2+]CC[C@](C)(O)c1cccc(OCC)c1,hydroxyl,thiol32143881,Please substitute a halo in the molecule O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1F by aldehyde.,O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1F,halo,aldehyde33240762,Replace a halo in the molecule O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 by nitro.,O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1,halo,nitro34146639,Modify the molecule CN(C)c1ccc([C@H](O)CNC(=O)C2CCCC2)cc1 by substituting a hydroxyl with carboxyl.,CN(C)c1ccc([C@H](O)CNC(=O)C2CCCC2)cc1,hydroxyl,carboxyl35125801,Substitute a halo in the molecule Cc1c(Cl)cccc1N[C@H](C)c1nc(C(C)C)no1 with aldehyde.,Cc1c(Cl)cccc1N[C@H](C)c1nc(C(C)C)no1,halo,aldehyde36125828,Substitute a halo in the molecule Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1 with nitro.,Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1,halo,nitro3748154,Replace a halo in the molecule Cc1ccc(OCc2ccncc2Cl)c(CCl)n1 by aldehyde.,Cc1ccc(OCc2ccncc2Cl)c(CCl)n1,halo,aldehyde38171159,Substitute a halo in the molecule COc1ccc(Cc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 with aldehyde.,COc1ccc(Cc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1,halo,aldehyde39103151,Modify the molecule CCCn1cc(C(=O)N2CCC[C@@H](C)C2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 by substituting a halo with thiol.,CCCn1cc(C(=O)N2CCC[C@@H](C)C2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1,halo,thiol4010492,Please replace a halo in the molecule C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CCN1C(=O)c1ccc(F)cc1F with nitrile.,C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CCN1C(=O)c1ccc(F)cc1F,halo,nitrile41234004,Modify the molecule COc1ccc(C)cc1NS(=O)(=O)c1cccc(C#N)c1 by replacing a nitrile by aldehyde.,COc1ccc(C)cc1NS(=O)(=O)c1cccc(C#N)c1,nitrile,aldehyde42137017,Please substitute a nitrile in the molecule N#Cc1cccc(NC(=O)CCNC(=O)Nc2ccccc2)c1 by hydroxyl.,N#Cc1cccc(NC(=O)CCNC(=O)Nc2ccccc2)c1,nitrile,hydroxyl43175139,Substitute a hydroxyl in the molecule Cc1[nH]cnc1C[NH+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 with carboxyl.,Cc1[nH]cnc1C[NH+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1,hydroxyl,carboxyl4485956,Please replace a halo in the molecule COCc1cc(N)nc(-c2cncc(Br)c2)n1 with thiol.,COCc1cc(N)nc(-c2cncc(Br)c2)n1,halo,thiol45138944,Please replace a nitrile in the molecule CC(C)[NH+](CCCNc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)C with nitro.,CC(C)[NH+](CCCNc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)C,nitrile,nitro4651453,Replace a halo in the molecule Cc1n[nH]c2cc(NC(=O)c3c(O)cc(F)cc3F)ccc12 by nitrile.,Cc1n[nH]c2cc(NC(=O)c3c(O)cc(F)cc3F)ccc12,halo,nitrile4749164,Substitute a halo in the molecule O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(F)cc1 with thiol.,O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(F)cc1,halo,thiol4823549,Modify the molecule Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F by substituting a halo with thiol.,Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F,halo,thiol49142445,Replace a halo in the molecule CN(Cc1cnn(C)c1)C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2 by thiol.,CN(Cc1cnn(C)c1)C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2,halo,thiol5011326,Please replace a hydroxyl in the molecule Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@@H](C)O)C2 with nitro.,Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@@H](C)O)C2,hydroxyl,nitro51156554,Please substitute a halo in the molecule FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1 by nitro.,FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1,halo,nitro5274830,Modify the molecule Cc1nc(C)n(C[C@H](O)COCc2ccccc2)n1 by replacing a hydroxyl by nitrile.,Cc1nc(C)n(C[C@H](O)COCc2ccccc2)n1,hydroxyl,nitrile53107391,Replace a halo in the molecule Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nn1C by thiol.,Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nn1C,halo,thiol54180679,Replace a nitrile in the molecule Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc(C#N)n3)c2C)cc1C by aldehyde.,Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc(C#N)n3)c2C)cc1C,nitrile,aldehyde5510335,Modify the molecule CCCC1CCC(C[NH3+])([C@H](O)c2c(F)cccc2F)CC1 by substituting a hydroxyl with nitrile.,CCCC1CCC(C[NH3+])([C@H](O)c2c(F)cccc2F)CC1,hydroxyl,nitrile5637064,Replace a nitro in the molecule Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 by nitrile.,Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1,nitro,nitrile5761642,Please substitute a nitro in the molecule O=C([O-])c1nc(/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1 by hydroxyl.,O=C([O-])c1nc(/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1,nitro,hydroxyl58108504,Modify the molecule CCOc1ccc(-c2c[nH]c(-c3ccc(O)cc3)[nH+]2)cc1 by replacing a hydroxyl by nitro.,CCOc1ccc(-c2c[nH]c(-c3ccc(O)cc3)[nH+]2)cc1,hydroxyl,nitro5974517,Modify the molecule Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCc2c(O)cccc21 by substituting a hydroxyl with carboxyl.,Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCc2c(O)cccc21,hydroxyl,carboxyl60172007,Substitute a halo in the molecule Fc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 with hydroxyl.,Fc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1,halo,hydroxyl61168287,Modify the molecule [NH3+][C@H](Cc1ccc(F)cc1F)c1c(Cl)cccc1Cl by substituting a halo with hydroxyl.,[NH3+][C@H](Cc1ccc(F)cc1F)c1c(Cl)cccc1Cl,halo,hydroxyl6247800,Substitute a nitrile in the molecule Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)nn1C with aldehyde.,Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)nn1C,nitrile,aldehyde63230110,Modify the molecule CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12 by replacing a halo by nitrile.,CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12,halo,nitrile6459653,Modify the molecule C[C@@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccc(N2CCC(O)CC2)cc1 by substituting a hydroxyl with nitrile.,C[C@@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccc(N2CCC(O)CC2)cc1,hydroxyl,nitrile6545486,Modify the molecule Cc1ccccc1C(=O)NCCC(=O)NC1(c2cccc(Cl)c2)CC1 by substituting a halo with aldehyde.,Cc1ccccc1C(=O)NCCC(=O)NC1(c2cccc(Cl)c2)CC1,halo,aldehyde66189070,Replace a halo in the molecule O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)NC[C@@H]1CCCO1 by thiol.,O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)NC[C@@H]1CCCO1,halo,thiol6734979,Substitute a halo in the molecule COc1ccc(CC(=O)C[NH+](C)C)cc1F with thiol.,COc1ccc(CC(=O)C[NH+](C)C)cc1F,halo,thiol6874536,Modify the molecule O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12 by substituting a halo with nitro.,O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12,halo,nitro69204679,Modify the molecule CC(C)c1ccc(OCc2nnc(S)n2C)cc1 by replacing a thiol by hydroxyl.,CC(C)c1ccc(OCc2nnc(S)n2C)cc1,thiol,hydroxyl70164377,Replace a hydroxyl in the molecule O=c1c2ccccc2[nH]c2ccc(O)cc12 by aldehyde.,O=c1c2ccccc2[nH]c2ccc(O)cc12,hydroxyl,aldehyde71154996,Modify the molecule O=C(c1cccc(F)c1)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CC1 by substituting a halo with nitrile.,O=C(c1cccc(F)c1)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CC1,halo,nitrile7227873,Modify the molecule Cn1nccc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O by replacing a halo by nitrile.,Cn1nccc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O,halo,nitrile73178134,Substitute a hydroxyl in the molecule CCCC[C@](C)(O)C1(C)CC1 with aldehyde.,CCCC[C@](C)(O)C1(C)CC1,hydroxyl,aldehyde74168033,Please substitute a halo in the molecule CC(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 by aldehyde.,CC(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1,halo,aldehyde7577160,Please substitute a halo in the molecule CC[C@H](C)c1ccccc1Oc1cccc(F)c1C(=O)[O-] by carboxyl.,CC[C@H](C)c1ccccc1Oc1cccc(F)c1C(=O)[O-],halo,carboxyl76221962,Substitute a nitro in the molecule C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc2cc([N+](=O)[O-])ccc2n1 with carboxyl.,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc2cc([N+](=O)[O-])ccc2n1,nitro,carboxyl7743309,Modify the molecule CN/C([O-])=C(\C#N)C(=O)CCn1nnc2ccccc2c1=O by substituting a nitrile with aldehyde.,CN/C([O-])=C(\C#N)C(=O)CCn1nnc2ccccc2c1=O,nitrile,aldehyde7855451,Modify the molecule Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)c(Cl)c1 by substituting a halo with thiol.,Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)c(Cl)c1,halo,thiol7919458,Please replace a halo in the molecule O=C(NNc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1 with aldehyde.,O=C(NNc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1,halo,aldehyde80162595,Please substitute a nitrile in the molecule CCc1c(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C#N)c1C by aldehyde.,CCc1c(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C#N)c1C,nitrile,aldehyde8173529,Please replace a halo in the molecule CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccccc1Br with thiol.,CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccccc1Br,halo,thiol82146302,Please replace a hydroxyl in the molecule Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1O with halo.,Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1O,hydroxyl,halo8349279,Please substitute a nitrile in the molecule COCCN1C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O by thiol.,COCCN1C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O,nitrile,thiol84243966,Please replace a hydroxyl in the molecule CN(O)[C@H]1CC[C@H](c2ccc(C(C)(C)C)cc2)C1 with aldehyde.,CN(O)[C@H]1CC[C@H](c2ccc(C(C)(C)C)cc2)C1,hydroxyl,aldehyde8571931,Modify the molecule CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 by replacing a halo by hydroxyl.,CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,halo,hydroxyl86188094,Modify the molecule COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 by substituting a hydroxyl with carboxyl.,COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1,hydroxyl,carboxyl87208458,Please replace a halo in the molecule COc1ccc(S(=O)(=O)/N=c2\[nH]cc(C)s2)cc1Br with aldehyde.,COc1ccc(S(=O)(=O)/N=c2\[nH]cc(C)s2)cc1Br,halo,aldehyde88132282,Please replace a halo in the molecule CC(C)Oc1cccc(-c2ccc(F)c(C[NH3+])c2)c1 with carboxyl.,CC(C)Oc1cccc(-c2ccc(F)c(C[NH3+])c2)c1,halo,carboxyl8928062,Please replace a halo in the molecule COc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C(F)(F)F)C(F)(F)F with hydroxyl.,COc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C(F)(F)F)C(F)(F)F,halo,hydroxyl90125869,Substitute a halo in the molecule CCC(CC)CN(CC)C(=O)c1cccc(OC)c1F with hydroxyl.,CCC(CC)CN(CC)C(=O)c1cccc(OC)c1F,halo,hydroxyl9124140,Modify the molecule C[C@]1(C(=O)NCc2cccnc2-n2cncn2)CC1(Cl)Cl by replacing a halo by hydroxyl.,C[C@]1(C(=O)NCc2cccnc2-n2cncn2)CC1(Cl)Cl,halo,hydroxyl9221937,Please replace a halo in the molecule Cc1ccnc(-c2ccc(NCc3ccc(F)cc3F)cc2)n1 with nitro.,Cc1ccnc(-c2ccc(NCc3ccc(F)cc3F)cc2)n1,halo,nitro9376782,Please replace a halo in the molecule Cc1cccc(C[S@@](=O)CC(=O)N(C)Cc2ccc(F)cc2)c1 with aldehyde.,Cc1cccc(C[S@@](=O)CC(=O)N(C)Cc2ccc(F)cc2)c1,halo,aldehyde94213731,Please replace a halo in the molecule Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 with aldehyde.,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1,halo,aldehyde956299,Replace a hydroxyl in the molecule C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO by halo.,C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO,hydroxyl,halo9677709,Please replace a halo in the molecule CCC1CCC(C[NH3+])([C@@H](O)c2ccccc2F)CC1 with carboxyl.,CCC1CCC(C[NH3+])([C@@H](O)c2ccccc2F)CC1,halo,carboxyl97163419,Modify the molecule CCOCCCC(=O)[C@H](C#N)c1nc(C)cc(C)n1 by replacing a nitrile by aldehyde.,CCOCCCC(=O)[C@H](C#N)c1nc(C)cc(C)n1,nitrile,aldehyde98161183,Please substitute a nitrile in the molecule CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F by aldehyde.,CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F,nitrile,aldehyde99173490,Replace a halo in the molecule NC(=O)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1Cl by thiol.,NC(=O)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1Cl,halo,thiol100140611,Modify the molecule COc1ccc(NCC(=O)N(C)C)cc1Cl by substituting a halo with hydroxyl.,COc1ccc(NCC(=O)N(C)C)cc1Cl,halo,hydroxyl10115481,Modify the molecule O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccco2)n1 by substituting a nitro with nitrile.,O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccco2)n1,nitro,nitrile102138708,Modify the molecule Cc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1F by substituting a hydroxyl with aldehyde.,Cc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1F,hydroxyl,aldehyde10357059,Please substitute a halo in the molecule CC(C)(C)OC(=O)C1CCC(NC(=O)[C@]2(C)CC2(Cl)Cl)CC1 by aldehyde.,CC(C)(C)OC(=O)C1CCC(NC(=O)[C@]2(C)CC2(Cl)Cl)CC1,halo,aldehyde104138773,Modify the molecule COc1ccc(CNC(=O)Nc2ccc(C)c(F)c2)cc1 by replacing a halo by thiol.,COc1ccc(CNC(=O)Nc2ccc(C)c(F)c2)cc1,halo,thiol105185035,Modify the molecule N#CC1(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CCCCC1 by substituting a nitrile with hydroxyl.,N#CC1(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CCCCC1,nitrile,hydroxyl106102601,Modify the molecule Cc1cc(I)ccc1NC(=O)COC(=O)CCc1ccccc1 by substituting a halo with nitrile.,Cc1cc(I)ccc1NC(=O)COC(=O)CCc1ccccc1,halo,nitrile107231551,Please substitute a halo in the molecule COC(=O)C(C[C@@]1(c2ccccc2)CC1(Cl)Cl)=C(Cl)Cl by nitrile.,COC(=O)C(C[C@@]1(c2ccccc2)CC1(Cl)Cl)=C(Cl)Cl,halo,nitrile1083512,Modify the molecule NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 by substituting a halo with thiol.,NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1,halo,thiol109142948,Modify the molecule CC[NH+]1CCN(CCCl)CC1 by replacing a halo by carboxyl.,CC[NH+]1CCN(CCCl)CC1,halo,carboxyl110139801,Replace a nitrile in the molecule Cc1nnc(COc2ccc(C#N)cc2Cl)o1 by aldehyde.,Cc1nnc(COc2ccc(C#N)cc2Cl)o1,nitrile,aldehyde1118794,Substitute a halo in the molecule CC(C)[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21 with aldehyde.,CC(C)[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21,halo,aldehyde112162,Replace a hydroxyl in the molecule Cc1cc2n(C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)c(=O)c3ccccc3n2n1 by halo.,Cc1cc2n(C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)c(=O)c3ccccc3n2n1,hydroxyl,halo113217209,Please replace a nitro in the molecule C[S@](=O)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 with hydroxyl.,C[S@](=O)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1,nitro,hydroxyl114198277,Modify the molecule O[C@H]1CO[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H]1O by substituting a hydroxyl with aldehyde.,O[C@H]1CO[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H]1O,hydroxyl,aldehyde11571162,Replace a nitro in the molecule CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] by nitrile.,CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-],nitro,nitrile116127592,Please substitute a halo in the molecule CC[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1ccc(Br)cc1 by carboxyl.,CC[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1ccc(Br)cc1,halo,carboxyl117249023,Replace a halo in the molecule O=C(c1ccc(Cl)cc1)c1ccc(C2OCCO2)cc1 by carboxyl.,O=C(c1ccc(Cl)cc1)c1ccc(C2OCCO2)cc1,halo,carboxyl118124869,Modify the molecule C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2)CC1 by substituting a halo with nitro.,C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2)CC1,halo,nitro119111051,Substitute a nitrile in the molecule N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 with halo.,N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1,nitrile,halo120211576,Modify the molecule O=C(NCCOc1ncccc1Cl)c1ccccc1C(F)(F)F by substituting a halo with thiol.,O=C(NCCOc1ncccc1Cl)c1ccccc1C(F)(F)F,halo,thiol12188832,Please substitute a halo in the molecule O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1cc2ncccn2n1 by thiol.,O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1cc2ncccn2n1,halo,thiol12264715,Please substitute a halo in the molecule CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 by carboxyl.,CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,halo,carboxyl12342759,Modify the molecule COc1ccc2c(c1)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-] by substituting a halo with thiol.,COc1ccc2c(c1)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-],halo,thiol124164719,Replace a halo in the molecule Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1 by carboxyl.,Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1,halo,carboxyl12585970,Replace a hydroxyl in the molecule CC(C)Oc1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1Cl by thiol.,CC(C)Oc1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1Cl,hydroxyl,thiol126113075,Substitute a halo in the molecule O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1cc(=O)c2ccccc2o1 with thiol.,O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1cc(=O)c2ccccc2o1,halo,thiol12725338,Please replace a nitrile in the molecule N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 with halo.,N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1,nitrile,halo128126080,Please substitute a halo in the molecule C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Br by hydroxyl.,C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Br,halo,hydroxyl129134651,Please substitute a nitrile in the molecule N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 by carboxyl.,N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1,nitrile,carboxyl130248196,Modify the molecule CC(C)(CNC(=O)COc1ccc(C(F)(F)F)cc1)c1ccncc1 by replacing a halo by carboxyl.,CC(C)(CNC(=O)COc1ccc(C(F)(F)F)cc1)c1ccncc1,halo,carboxyl13161540,Substitute a halo in the molecule O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2 with aldehyde.,O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2,halo,aldehyde13244629,Substitute a halo in the molecule C[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1ccc(F)c(Cl)c1 with nitrile.,C[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1ccc(F)c(Cl)c1,halo,nitrile13336452,Please substitute a nitrile in the molecule Cc1nnc(N(C)C[C@H]2CCC[NH+]2C)c(C#N)c1C by halo.,Cc1nnc(N(C)C[C@H]2CCC[NH+]2C)c(C#N)c1C,nitrile,halo134129482,Substitute a halo in the molecule O=C(Nc1ccc(Br)cn1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 with hydroxyl.,O=C(Nc1ccc(Br)cn1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1,halo,hydroxyl135167697,Please substitute a nitrile in the molecule CS(=O)(=O)N1CCC[C@H](COc2ccc(CC#N)cc2)C1 by halo.,CS(=O)(=O)N1CCC[C@H](COc2ccc(CC#N)cc2)C1,nitrile,halo136181812,Modify the molecule CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1 by substituting a halo with nitrile.,CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1,halo,nitrile137202083,Modify the molecule Cc1ccc(NC(=O)N2CCc3ccc(O)cc3C2)s1 by replacing a hydroxyl by halo.,Cc1ccc(NC(=O)N2CCc3ccc(O)cc3C2)s1,hydroxyl,halo138195741,Replace a halo in the molecule CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl by carboxyl.,CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl,halo,carboxyl139185723,Modify the molecule C#CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 by replacing a nitro by carboxyl.,C#CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1,nitro,carboxyl140220937,Please substitute a halo in the molecule CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 by thiol.,CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1,halo,thiol141114241,Please replace a hydroxyl in the molecule Cc1cc(NC(=O)CCc2ccccc2O)ccc1N1CC[NH+](C)CC1 with nitrile.,Cc1cc(NC(=O)CCc2ccccc2O)ccc1N1CC[NH+](C)CC1,hydroxyl,nitrile142215751,Modify the molecule C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1 by replacing a halo by aldehyde.,C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1,halo,aldehyde143134806,Please substitute a halo in the molecule O=C(NCc1noc(Cc2ccccc2)n1)c1ccccc1Br by nitro.,O=C(NCc1noc(Cc2ccccc2)n1)c1ccccc1Br,halo,nitro1444244,Replace a nitrile in the molecule N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1 by thiol.,N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1,nitrile,thiol14524906,Substitute a halo in the molecule Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1=C[C@@H]2N=CC=C2C=C1 with thiol.,Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1=C[C@@H]2N=CC=C2C=C1,halo,thiol146247095,Modify the molecule Cc1ccc(NCc2c(F)cccc2F)c(C)n1 by replacing a halo by carboxyl.,Cc1ccc(NCc2c(F)cccc2F)c(C)n1,halo,carboxyl147200396,Please substitute a halo in the molecule CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 by nitro.,CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1,halo,nitro14834352,Modify the molecule C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C by replacing a halo by aldehyde.,C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C,halo,aldehyde14937514,Replace a halo in the molecule Cc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 by carboxyl.,Cc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1,halo,carboxyl15014823,Please substitute a nitro in the molecule Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 by aldehyde.,Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1,nitro,aldehyde151188325,Replace a nitrile in the molecule CC(C)(C)C[NH2+]Cc1cc(C#N)cs1 by nitro.,CC(C)(C)C[NH2+]Cc1cc(C#N)cs1,nitrile,nitro152169514,Replace a halo in the molecule CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br by hydroxyl.,CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br,halo,hydroxyl153132815,Modify the molecule CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 by substituting a halo with thiol.,CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1,halo,thiol154216291,Modify the molecule Cc1ccc2nc([C@@H](C)Cl)n(-c3cnn(C)c3)c2c1 by substituting a halo with thiol.,Cc1ccc2nc([C@@H](C)Cl)n(-c3cnn(C)c3)c2c1,halo,thiol155145323,Please substitute a halo in the molecule CCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)c(F)c1 by hydroxyl.,CCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)c(F)c1,halo,hydroxyl15614622,Modify the molecule O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 by substituting a nitro with aldehyde.,O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1,nitro,aldehyde157166490,Please substitute a halo in the molecule O=C(CCCOc1ccccc1F)N[C@H]1c2ccccc2C[C@@H]1O by hydroxyl.,O=C(CCCOc1ccccc1F)N[C@H]1c2ccccc2C[C@@H]1O,halo,hydroxyl158211836,Substitute a nitrile in the molecule N#C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 with carboxyl.,N#C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1,nitrile,carboxyl159180388,Modify the molecule Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC(C)C by substituting a halo with nitro.,Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC(C)C,halo,nitro16087529,Modify the molecule CC(C)(C)OC(=O)Oc1ccc(F)c(F)c1 by substituting a halo with nitro.,CC(C)(C)OC(=O)Oc1ccc(F)c(F)c1,halo,nitro161171129,Please substitute a nitro in the molecule Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 by carboxyl.,Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1,nitro,carboxyl16299450,Modify the molecule C[C@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](c2ccccc2)O1 by substituting a halo with hydroxyl.,C[C@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](c2ccccc2)O1,halo,hydroxyl163177560,Please replace a hydroxyl in the molecule CC1CCC(C[NH3+])([C@@H](O)c2ccccc2Br)CC1 with nitro.,CC1CCC(C[NH3+])([C@@H](O)c2ccccc2Br)CC1,hydroxyl,nitro164156682,Replace a halo in the molecule Cc1ccc(-c2ncco2)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12 by thiol.,Cc1ccc(-c2ncco2)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12,halo,thiol165159835,Please substitute a nitrile in the molecule Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)o1 by thiol.,Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)o1,nitrile,thiol166228639,Replace a halo in the molecule COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1 by nitrile.,COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1,halo,nitrile167226961,Please replace a halo in the molecule CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1 with carboxyl.,CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1,halo,carboxyl16842592,Modify the molecule Fc1cccc(Br)c1CN1CCC([NH+]2CCCC2)CC1 by replacing a halo by nitrile.,Fc1cccc(Br)c1CN1CCC([NH+]2CCCC2)CC1,halo,nitrile16925849,Substitute a hydroxyl in the molecule O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F with halo.,O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F,hydroxyl,halo170190848,Substitute a halo in the molecule N/C(=N\OCc1ccc(Cl)c(Cl)c1)c1nonc1N with thiol.,N/C(=N\OCc1ccc(Cl)c(Cl)c1)c1nonc1N,halo,thiol1713027,Modify the molecule CN(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2)cs1 by substituting a halo with nitrile.,CN(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2)cs1,halo,nitrile172148699,Modify the molecule N#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1 by substituting a nitrile with nitro.,N#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1,nitrile,nitro173230027,Replace a halo in the molecule O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)s2)on1 by carboxyl.,O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)s2)on1,halo,carboxyl174193132,Modify the molecule C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@H](c2ccc(F)cc2)O1 by substituting a halo with nitro.,C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@H](c2ccc(F)cc2)O1,halo,nitro17566519,Please replace a nitro in the molecule Cc1ccccc1C(=O)NC(=S)Nc1ccc(C)c([N+](=O)[O-])c1 with halo.,Cc1ccccc1C(=O)NC(=S)Nc1ccc(C)c([N+](=O)[O-])c1,nitro,halo176218511,Modify the molecule CC(C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 by replacing a halo by thiol.,CC(C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1,halo,thiol177207251,Modify the molecule Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1ccc(=O)n(C)c1=O by replacing a nitro by thiol.,Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1ccc(=O)n(C)c1=O,nitro,thiol17817561,Modify the molecule CC(C)c1nc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 by substituting a halo with carboxyl.,CC(C)c1nc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1,halo,carboxyl17948650,Modify the molecule CC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1 by replacing a halo by hydroxyl.,CC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1,halo,hydroxyl180247388,Modify the molecule O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1COc2ccccc2C1 by replacing a halo by aldehyde.,O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1COc2ccccc2C1,halo,aldehyde18121440,Please substitute a halo in the molecule CCCCO[C@@H]1C[C@H](NC(=O)c2occc2Br)C1(C)C by hydroxyl.,CCCCO[C@@H]1C[C@H](NC(=O)c2occc2Br)C1(C)C,halo,hydroxyl182242908,Modify the molecule C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1O by substituting a hydroxyl with halo.,C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1O,hydroxyl,halo183218536,Please replace a halo in the molecule C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)ccc1C(=O)[O-] with nitro.,C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)ccc1C(=O)[O-],halo,nitro184229339,Substitute a hydroxyl in the molecule Cc1cc2oc3c(c(=O)c2cc1C)[C@@]1(C(=O)N(C)c2ccccc21)N(CCO)C3=O with thiol.,Cc1cc2oc3c(c(=O)c2cc1C)[C@@]1(C(=O)N(C)c2ccccc21)N(CCO)C3=O,hydroxyl,thiol18540580,Please replace a hydroxyl in the molecule C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO with halo.,C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO,hydroxyl,halo18698271,Substitute a hydroxyl in the molecule C=C(CC)C[C@H](O)[C@](C)(CC)N1CCOCC1 with carboxyl.,C=C(CC)C[C@H](O)[C@](C)(CC)N1CCOCC1,hydroxyl,carboxyl18752785,Please replace a halo in the molecule C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 with hydroxyl.,C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1,halo,hydroxyl188136233,Substitute a halo in the molecule CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl with aldehyde.,CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl,halo,aldehyde18934556,Modify the molecule COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3(O)CCCC3)C2)cc1 by substituting a hydroxyl with aldehyde.,COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3(O)CCCC3)C2)cc1,hydroxyl,aldehyde190117838,Please replace a hydroxyl in the molecule O[C@H](c1ccc(Cl)cc1)c1ccccc1Cl with aldehyde.,O[C@H](c1ccc(Cl)cc1)c1ccccc1Cl,hydroxyl,aldehyde19163969,Substitute a halo in the molecule CN(CCC(F)(F)F)c1nc(C2CC2)ns1 with nitro.,CN(CCC(F)(F)F)c1nc(C2CC2)ns1,halo,nitro192227101,Modify the molecule Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C by substituting a halo with nitro.,Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C,halo,nitro19375714,Please replace a halo in the molecule CCc1nn(C)c(Cl)c1CNc1cccc(CC[NH+]2CCCC2)c1 with nitrile.,CCc1nn(C)c(Cl)c1CNc1cccc(CC[NH+]2CCCC2)c1,halo,nitrile19423307,Please replace a nitrile in the molecule Cc1ncc(C(=O)[O-])cc1C#N with thiol.,Cc1ncc(C(=O)[O-])cc1C#N,nitrile,thiol195105140,Modify the molecule N#Cc1cc2c(nc1SCC(=O)Nc1nonc1-n1cccc1)CCCC2 by replacing a nitrile by carboxyl.,N#Cc1cc2c(nc1SCC(=O)Nc1nonc1-n1cccc1)CCCC2,nitrile,carboxyl196151363,Please replace a nitro in the molecule Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 with nitrile.,Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1,nitro,nitrile197184050,Please replace a halo in the molecule CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+]C(C)C with carboxyl.,CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+]C(C)C,halo,carboxyl198192752,Replace a hydroxyl in the molecule Cn1cnn(CC(=O)NC[C@@H](O)c2ccc(Cl)s2)c1=O by thiol.,Cn1cnn(CC(=O)NC[C@@H](O)c2ccc(Cl)s2)c1=O,hydroxyl,thiol19922220,Replace a halo in the molecule CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccccc1Br by carboxyl.,CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccccc1Br,halo,carboxyl20095582,Please substitute a halo in the molecule Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 by nitrile.,Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,halo,nitrile20123667,Modify the molecule COc1ccc(Cl)c(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c1 by replacing a halo by aldehyde.,COc1ccc(Cl)c(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c1,halo,aldehyde20236859,Modify the molecule CSCc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1 by replacing a nitro by thiol.,CSCc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1,nitro,thiol203237552,Please replace a nitrile in the molecule C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccs1 with hydroxyl.,C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccs1,nitrile,hydroxyl204179572,Modify the molecule C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 by substituting a halo with carboxyl.,C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1,halo,carboxyl205240149,Please substitute a halo in the molecule Cc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCSCC2)CC1=O by nitro.,Cc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCSCC2)CC1=O,halo,nitro206149466,Please replace a halo in the molecule COc1cc(F)cc(CNC(=O)N(C2CC2)[C@H](C)C(C)C)c1 with nitro.,COc1cc(F)cc(CNC(=O)N(C2CC2)[C@H](C)C(C)C)c1,halo,nitro20779629,Please replace a halo in the molecule O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1 with nitrile.,O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1,halo,nitrile208228161,Replace a halo in the molecule C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(Cc2cccnc2)nn1 by hydroxyl.,C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(Cc2cccnc2)nn1,halo,hydroxyl209205445,Please replace a hydroxyl in the molecule Cc1ccc(C/[NH+]=C/c2c(CO)cnc(C)c2O)cc1 with halo.,Cc1ccc(C/[NH+]=C/c2c(CO)cnc(C)c2O)cc1,hydroxyl,halo21095747,Modify the molecule C[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl)[S@](C)=O by replacing a halo by nitro.,C[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl)[S@](C)=O,halo,nitro21123662,Please replace a hydroxyl in the molecule CCOc1cccc([C@H](O)C(C)(C)N2CCOCC2)c1 with halo.,CCOc1cccc([C@H](O)C(C)(C)N2CCOCC2)c1,hydroxyl,halo21252476,Replace a nitro in the molecule Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl by halo.,Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl,nitro,halo21384624,Modify the molecule CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 by replacing a halo by thiol.,CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1,halo,thiol21470029,Modify the molecule C[C@@H](NCCn1cnnc1C1CC1)c1ccccc1C(F)(F)F by substituting a halo with aldehyde.,C[C@@H](NCCn1cnnc1C1CC1)c1ccccc1C(F)(F)F,halo,aldehyde215188195,Modify the molecule COC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)c(F)c1 by substituting a halo with nitro.,COC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)c(F)c1,halo,nitro216216970,Substitute a halo in the molecule Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)ccc1F with hydroxyl.,Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)ccc1F,halo,hydroxyl217169743,Please replace a nitrile in the molecule CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(C#N)cc1 with aldehyde.,CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(C#N)cc1,nitrile,aldehyde218186106,Replace a halo in the molecule COc1cc(Br)c(CC(=O)N2CCNC(=O)C2)cc1OC by hydroxyl.,COc1cc(Br)c(CC(=O)N2CCNC(=O)C2)cc1OC,halo,hydroxyl219166520,Modify the molecule NC(=S)c1[nH+]ccn1CC(=O)Nc1ccc(Br)cc1 by replacing a halo by carboxyl.,NC(=S)c1[nH+]ccn1CC(=O)Nc1ccc(Br)cc1,halo,carboxyl220135584,Replace a halo in the molecule Brc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)s1 by carboxyl.,Brc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)s1,halo,carboxyl221233696,Please replace a halo in the molecule Cc1cc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c(C)o1 with carboxyl.,Cc1cc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c(C)o1,halo,carboxyl222189705,Please replace a halo in the molecule O=C(Cc1ccc(Cl)cc1)c1cccc(I)c1 with hydroxyl.,O=C(Cc1ccc(Cl)cc1)c1cccc(I)c1,halo,hydroxyl22365896,Modify the molecule CC(C)Cn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 by substituting a halo with thiol.,CC(C)Cn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12,halo,thiol22432355,Modify the molecule CC[C@H]([NH3+])[C@@H](N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F by replacing a halo by carboxyl.,CC[C@H]([NH3+])[C@@H](N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F,halo,carboxyl225127916,Please substitute a hydroxyl in the molecule [NH3+][C@H](CC1=c2cccc(O)c2=[NH+]C1)C(=O)[O-] by thiol.,[NH3+][C@H](CC1=c2cccc(O)c2=[NH+]C1)C(=O)[O-],hydroxyl,thiol22641743,Modify the molecule C[C@H](NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1 by replacing a halo by aldehyde.,C[C@H](NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1,halo,aldehyde22718672,Modify the molecule O=C(Cc1csc(-c2cccc(Br)c2)n1)NC1CC1 by replacing a halo by nitrile.,O=C(Cc1csc(-c2cccc(Br)c2)n1)NC1CC1,halo,nitrile228175889,Please replace a halo in the molecule C=CC[NH+]1CCC(N/C(NCc2cc(F)ccc2F)=[NH+]\C)CC1 with aldehyde.,C=CC[NH+]1CCC(N/C(NCc2cc(F)ccc2F)=[NH+]\C)CC1,halo,aldehyde22938109,Modify the molecule C[NH+](CC(=O)NCC1CCC1)Cc1ccc(C(F)(F)F)cc1 by replacing a halo by nitrile.,C[NH+](CC(=O)NCC1CCC1)Cc1ccc(C(F)(F)F)cc1,halo,nitrile23071131,Replace a halo in the molecule Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1 by thiol.,Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1,halo,thiol23168551,Modify the molecule C[C@@H](CO)NCc1c[nH+]cn1C1CC1 by substituting a hydroxyl with carboxyl.,C[C@@H](CO)NCc1c[nH+]cn1C1CC1,hydroxyl,carboxyl232200944,Replace a halo in the molecule Cc1nc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)sc1Br by aldehyde.,Cc1nc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)sc1Br,halo,aldehyde23327993,Please substitute a hydroxyl in the molecule O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2ccccc2O)CC1 by nitrile.,O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2ccccc2O)CC1,hydroxyl,nitrile23446081,Substitute a hydroxyl in the molecule COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)cc(C)c2O)cc1 with nitrile.,COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)cc(C)c2O)cc1,hydroxyl,nitrile235196284,Substitute a nitro in the molecule Cc1cc([N+](=O)[O-])ccc1NC(=O)NCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O with halo.,Cc1cc([N+](=O)[O-])ccc1NC(=O)NCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O,nitro,halo236216128,Modify the molecule O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 by substituting a halo with hydroxyl.,O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1,halo,hydroxyl23767809,Substitute a halo in the molecule COc1cccc(OCCNC(=O)Nc2ccc(OC)cc2Cl)c1 with hydroxyl.,COc1cccc(OCCNC(=O)Nc2ccc(OC)cc2Cl)c1,halo,hydroxyl23813016,Modify the molecule C/C(=C1/SC(N2CCCC2)=NC1=O)c1ccc(Cl)cc1 by substituting a halo with thiol.,C/C(=C1/SC(N2CCCC2)=NC1=O)c1ccc(Cl)cc1,halo,thiol23978767,Please substitute a halo in the molecule C[C@H](CCCCl)[NH2+]C[C@H]1CCCc2ccccc21 by nitrile.,C[C@H](CCCCl)[NH2+]C[C@H]1CCCc2ccccc21,halo,nitrile240230207,Please replace a nitrile in the molecule CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 with halo.,CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1,nitrile,halo241105595,Modify the molecule COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 by substituting a halo with hydroxyl.,COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1,halo,hydroxyl242102622,Please replace a halo in the molecule COc1ccc(C[C@H](Cl)c2ccccc2)cc1 with hydroxyl.,COc1ccc(C[C@H](Cl)c2ccccc2)cc1,halo,hydroxyl243194855,Please replace a halo in the molecule O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cccc(Cl)c1 with hydroxyl.,O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cccc(Cl)c1,halo,hydroxyl244117198,Please replace a halo in the molecule CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(-c2ccccc2)s1 with thiol.,CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(-c2ccccc2)s1,halo,thiol245224405,Modify the molecule COc1ccc2c(C)cc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 by replacing a halo by nitro.,COc1ccc2c(C)cc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1,halo,nitro246175052,Modify the molecule COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Cl by substituting a halo with nitrile.,COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Cl,halo,nitrile247206765,Please replace a halo in the molecule CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCCCCCC2)CC1 with nitro.,CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCCCCCC2)CC1,halo,nitro248159207,Modify the molecule CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(Cl)s1 by replacing a halo by carboxyl.,CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(Cl)s1,halo,carboxyl249201170,Please replace a nitrile in the molecule N#Cc1c(-c2ccccc2)cc2nc3ccccc3n2c1N with carboxyl.,N#Cc1c(-c2ccccc2)cc2nc3ccccc3n2c1N,nitrile,carboxyl250107569,Modify the molecule C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O by substituting a hydroxyl with halo.,C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O,hydroxyl,halo251231356,Please substitute a nitro in the molecule Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 by carboxyl.,Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1,nitro,carboxyl25219676,Modify the molecule CC[C@@H](CO)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C by replacing a halo by carboxyl.,CC[C@@H](CO)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C,halo,carboxyl253236405,Replace a halo in the molecule C[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(OC(F)F)cc1 by aldehyde.,C[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(OC(F)F)cc1,halo,aldehyde254179969,Replace a hydroxyl in the molecule CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1 by nitro.,CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1,hydroxyl,nitro255129574,Please substitute a nitrile in the molecule N#Cc1ccc(C[NH+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)o1 by halo.,N#Cc1ccc(C[NH+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)o1,nitrile,halo25669294,Modify the molecule CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 by replacing a halo by hydroxyl.,CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1,halo,hydroxyl257222859,Modify the molecule C[C@@H]([NH3+])[C@H]1CCCCN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-] by substituting a halo with nitro.,C[C@@H]([NH3+])[C@H]1CCCCN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-],halo,nitro25887590,Please replace a halo in the molecule CCc1nc(-c2ccc(F)cn2)nc(NC)c1I with thiol.,CCc1nc(-c2ccc(F)cn2)nc(NC)c1I,halo,thiol25958080,Please substitute a halo in the molecule CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S by nitro.,CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S,halo,nitro260836,Modify the molecule CCCOc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N by replacing a halo by carboxyl.,CCCOc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N,halo,carboxyl261173464,Modify the molecule O=S(=O)(c1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1)N1CCOCC1 by replacing a halo by thiol.,O=S(=O)(c1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1)N1CCOCC1,halo,thiol262191863,Modify the molecule C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1 by substituting a halo with thiol.,C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1,halo,thiol263183473,Modify the molecule CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCc1cccc(F)c1 by substituting a halo with nitro.,CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCc1cccc(F)c1,halo,nitro264165267,Substitute a halo in the molecule COC(=O)c1cccc(NC(=O)NCCc2ccc(F)cc2)c1C with nitro.,COC(=O)c1cccc(NC(=O)NCCc2ccc(F)cc2)c1C,halo,nitro265219203,Substitute a halo in the molecule COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC with carboxyl.,COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC,halo,carboxyl266217588,Replace a halo in the molecule CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC(F)(F)F)C1 by carboxyl.,CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC(F)(F)F)C1,halo,carboxyl267172259,Please substitute a halo in the molecule CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccc(F)cc1 by aldehyde.,CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccc(F)cc1,halo,aldehyde268239875,Please substitute a nitro in the molecule Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] by carboxyl.,Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-],nitro,carboxyl269150343,Modify the molecule C#CC[C@@H](OC(=O)c1cnn2cc(Br)cnc12)C1CC1 by replacing a halo by aldehyde.,C#CC[C@@H](OC(=O)c1cnn2cc(Br)cnc12)C1CC1,halo,aldehyde270192532,Substitute a halo in the molecule CCCO[C@@H](C)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 with carboxyl.,CCCO[C@@H](C)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1,halo,carboxyl27176221,Modify the molecule N#CCOc1cccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)c1 by replacing a nitrile by hydroxyl.,N#CCOc1cccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)c1,nitrile,hydroxyl272243092,Replace a halo in the molecule Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1 by aldehyde.,Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1,halo,aldehyde273114979,Please substitute a halo in the molecule O=S1(=O)C[C@H](Cl)[C@H](NC(=S)NC2CCCCC2)C1 by carboxyl.,O=S1(=O)C[C@H](Cl)[C@H](NC(=S)NC2CCCCC2)C1,halo,carboxyl274117224,Please substitute a nitrile in the molecule C[C@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 by carboxyl.,C[C@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1,nitrile,carboxyl27583986,Replace a halo in the molecule Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccco3)c3cc(Cl)ccc32)c1 by nitrile.,Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccco3)c3cc(Cl)ccc32)c1,halo,nitrile276239549,Please replace a hydroxyl in the molecule Cc1cc2cc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)oc2cc1C with thiol.,Cc1cc2cc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)oc2cc1C,hydroxyl,thiol27792133,Modify the molecule CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C by substituting a halo with hydroxyl.,CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C,halo,hydroxyl278200878,Please replace a nitro in the molecule O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)CCO with halo.,O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)CCO,nitro,halo27920712,Modify the molecule Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C by replacing a nitrile by carboxyl.,Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C,nitrile,carboxyl280132036,Please replace a halo in the molecule CC(C)OCC[C@@H]1CCCC[NH+]1Cc1cnc(Cl)s1 with carboxyl.,CC(C)OCC[C@@H]1CCCC[NH+]1Cc1cnc(Cl)s1,halo,carboxyl28112260,Please replace a halo in the molecule COC(=O)C1CCC(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 with hydroxyl.,COC(=O)C1CCC(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1,halo,hydroxyl282169638,Modify the molecule COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1 by substituting a halo with hydroxyl.,COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1,halo,hydroxyl283157565,Modify the molecule COC(=O)c1ccc(OCc2ccc(C#N)cc2F)c(OC)c1 by replacing a halo by aldehyde.,COC(=O)c1ccc(OCc2ccc(C#N)cc2F)c(OC)c1,halo,aldehyde284246251,Modify the molecule CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1 by replacing a halo by hydroxyl.,CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1,halo,hydroxyl285111156,Please replace a hydroxyl in the molecule CCNc1scc(C)[n+]1/N=C/c1cc(Br)c(O)c(Br)c1 with nitrile.,CCNc1scc(C)[n+]1/N=C/c1cc(Br)c(O)c(Br)c1,hydroxyl,nitrile286204502,Please replace a halo in the molecule CC(C)C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1ccc(F)cn1 with nitrile.,CC(C)C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1ccc(F)cn1,halo,nitrile287113298,Replace a halo in the molecule CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 by nitro.,CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1,halo,nitro288243372,Modify the molecule Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 by substituting a halo with carboxyl.,Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,halo,carboxyl2898878,Substitute a halo in the molecule C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(Br)cn1 with nitrile.,C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(Br)cn1,halo,nitrile29014647,Substitute a halo in the molecule O=C(CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCCCC1 with aldehyde.,O=C(CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCCCC1,halo,aldehyde291241441,Substitute a halo in the molecule CC(C)[NH+](C)C[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1 with carboxyl.,CC(C)[NH+](C)C[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1,halo,carboxyl29250922,Modify the molecule COc1ccc2cc(CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(Cl)c3)ccc2c1 by replacing a halo by aldehyde.,COc1ccc2cc(CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(Cl)c3)ccc2c1,halo,aldehyde29362924,Please substitute a hydroxyl in the molecule Cc1ccccc1/C([O-])=N/c1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1 by nitrile.,Cc1ccccc1/C([O-])=N/c1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1,hydroxyl,nitrile294229221,Please replace a halo in the molecule CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC with hydroxyl.,CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC,halo,hydroxyl295159482,Modify the molecule O=C1CN(/N=C\c2ncc(-c3ccc(Br)cc3)o2)C(=O)N1 by substituting a halo with thiol.,O=C1CN(/N=C\c2ncc(-c3ccc(Br)cc3)o2)C(=O)N1,halo,thiol29659704,Please substitute a halo in the molecule Cc1ccc(-c2noc([C@H](C)[NH+]3CC[C@H](C(N)=O)C3)n2)cc1F by carboxyl.,Cc1ccc(-c2noc([C@H](C)[NH+]3CC[C@H](C(N)=O)C3)n2)cc1F,halo,carboxyl29742253,Substitute a halo in the molecule COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@@H](NC(=O)c2ccccc2Cl)C1 with carboxyl.,COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@@H](NC(=O)c2ccccc2Cl)C1,halo,carboxyl2981916,Please replace a halo in the molecule O=S(=O)(Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2 with thiol.,O=S(=O)(Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2,halo,thiol29938758,Modify the molecule Cc1cc(Br)ccc1N[C@H]1CCOC2(CCC2)C1 by replacing a halo by thiol.,Cc1cc(Br)ccc1N[C@H]1CCOC2(CCC2)C1,halo,thiol300123135,Modify the molecule CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 by substituting a nitrile with thiol.,CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12,nitrile,thiol301175336,Please substitute a halo in the molecule C[C@H](CNC(=O)N[C@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCC1 by nitro.,C[C@H](CNC(=O)N[C@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCC1,halo,nitro302219451,Modify the molecule FC(F)(F)c1nnc2ccc(NCCc3ccccn3)nn12 by replacing a halo by thiol.,FC(F)(F)c1nnc2ccc(NCCc3ccccn3)nn12,halo,thiol303109030,Please substitute a halo in the molecule CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1 by aldehyde.,CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1,halo,aldehyde304166755,Replace a halo in the molecule Cc1nnnn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1 by aldehyde.,Cc1nnnn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1,halo,aldehyde30559171,Please substitute a halo in the molecule O=C(COCc1ccccc1)Nc1cc(Br)cc(Cl)c1O by nitro.,O=C(COCc1ccccc1)Nc1cc(Br)cc(Cl)c1O,halo,nitro306216566,Replace a halo in the molecule C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1N by thiol.,C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1N,halo,thiol307114307,Modify the molecule COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c1C by substituting a nitrile with carboxyl.,COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c1C,nitrile,carboxyl308109424,Please substitute a halo in the molecule CC(C)[C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1 by nitro.,CC(C)[C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1,halo,nitro309213805,Substitute a halo in the molecule C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F with nitro.,C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F,halo,nitro310213350,Replace a halo in the molecule NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1 by nitrile.,NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1,halo,nitrile31126801,Modify the molecule COCCN1CCC[C@](O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O by replacing a hydroxyl by aldehyde.,COCCN1CCC[C@](O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O,hydroxyl,aldehyde3128604,Replace a hydroxyl in the molecule CO[C@@H](C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1 by thiol.,CO[C@@H](C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1,hydroxyl,thiol31367937,Please replace a halo in the molecule C[C@H]1CCC[NH+]1CC(=O)Nc1cccc(OC(F)F)c1 with aldehyde.,C[C@H]1CCC[NH+]1CC(=O)Nc1cccc(OC(F)F)c1,halo,aldehyde31477914,Modify the molecule C[C@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)C(F)(F)F by replacing a halo by carboxyl.,C[C@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)C(F)(F)F,halo,carboxyl31593137,Please replace a hydroxyl in the molecule Cc1cccc(=O)n1CCC(=O)N1CC[C@](C)(O)[C@H](C)C1 with thiol.,Cc1cccc(=O)n1CCC(=O)N1CC[C@](C)(O)[C@H](C)C1,hydroxyl,thiol316197408,Replace a halo in the molecule O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC[C@@H]1c1ccc[nH]1 by nitro.,O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC[C@@H]1c1ccc[nH]1,halo,nitro317107017,Replace a halo in the molecule Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(Cl)c(Cl)c1 by carboxyl.,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(Cl)c(Cl)c1,halo,carboxyl31850287,Replace a hydroxyl in the molecule Cc1ccn(-c2ccc(NCCc3cccc(O)c3)nn2)n1 by carboxyl.,Cc1ccn(-c2ccc(NCCc3cccc(O)c3)nn2)n1,hydroxyl,carboxyl31959679,Please replace a nitro in the molecule O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 with thiol.,O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12,nitro,thiol32030656,Please replace a halo in the molecule C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O with thiol.,C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O,halo,thiol321220301,Please substitute a hydroxyl in the molecule C[C@H]1CCC[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1 by halo.,C[C@H]1CCC[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1,hydroxyl,halo322109781,Replace a halo in the molecule Cc1c(-c2nc3ccc(Br)cc3c(=O)[nH]2)oc2ccccc12 by carboxyl.,Cc1c(-c2nc3ccc(Br)cc3c(=O)[nH]2)oc2ccccc12,halo,carboxyl32323817,Modify the molecule C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)cc1 by substituting a halo with nitro.,C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)cc1,halo,nitro324144482,Modify the molecule C=CCCCOc1nc(Cl)nc(OCC)n1 by substituting a halo with thiol.,C=CCCCOc1nc(Cl)nc(OCC)n1,halo,thiol325188089,Please substitute a halo in the molecule C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1 by nitro.,C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1,halo,nitro326137718,Replace a halo in the molecule ClCCc1nc2cc(Br)cnc2n1CC1CCCCC1 by nitrile.,ClCCc1nc2cc(Br)cnc2n1CC1CCCCC1,halo,nitrile327149650,Please replace a halo in the molecule Cc1ccncc1NC(=O)N1CC=C(c2ccccc2Cl)CC1 with thiol.,Cc1ccncc1NC(=O)N1CC=C(c2ccccc2Cl)CC1,halo,thiol32814628,Replace a halo in the molecule Clc1ccc2[nH]c3c(N4CC[NH+](Cc5ccccc5)CC4)ncnc3c2c1 by aldehyde.,Clc1ccc2[nH]c3c(N4CC[NH+](Cc5ccccc5)CC4)ncnc3c2c1,halo,aldehyde32943673,Please replace a halo in the molecule COc1ccc2[nH]cc(CC(=O)NCc3ccc(F)c(Cl)c3)c2c1 with carboxyl.,COc1ccc2[nH]cc(CC(=O)NCc3ccc(F)c(Cl)c3)c2c1,halo,carboxyl330139452,Please substitute a halo in the molecule CC[NH2+][C@@H](C)c1cc(F)ccc1-n1cc[nH+]c1C by hydroxyl.,CC[NH2+][C@@H](C)c1cc(F)ccc1-n1cc[nH+]c1C,halo,hydroxyl331172278,Modify the molecule CC(C)C(=O)NCCN(C)Cc1cc(F)cc(C(F)(F)F)c1 by replacing a halo by thiol.,CC(C)C(=O)NCCN(C)Cc1cc(F)cc(C(F)(F)F)c1,halo,thiol332223349,Please substitute a halo in the molecule CCC(=O)N[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 by nitrile.,CCC(=O)N[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1,halo,nitrile3338117,Modify the molecule COc1cc(Br)c([C@H](O)c2cc(C)cc(F)c2)cc1OC by replacing a halo by hydroxyl.,COc1cc(Br)c([C@H](O)c2cc(C)cc(F)c2)cc1OC,halo,hydroxyl334214408,Please substitute a halo in the molecule CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl by nitro.,CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl,halo,nitro335233676,Substitute a halo in the molecule CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC(=O)O1 with nitro.,CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC(=O)O1,halo,nitro336127713,Substitute a nitrile in the molecule COC(=O)[C@@H](CNC(=O)c1sccc1C#N)Oc1ccc(F)cc1 with halo.,COC(=O)[C@@H](CNC(=O)c1sccc1C#N)Oc1ccc(F)cc1,nitrile,halo337115572,Please replace a halo in the molecule C=C(C)COc1ccccc1NC(=O)c1ccc(Cl)cc1 with nitro.,C=C(C)COc1ccccc1NC(=O)c1ccc(Cl)cc1,halo,nitro338119835,Please replace a nitrile in the molecule N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCCCC1 with aldehyde.,N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCCCC1,nitrile,aldehyde3392177,Modify the molecule CN(Cc1ccccc1N1CCOCC1)c1ccc(Cl)cn1 by replacing a halo by nitro.,CN(Cc1ccccc1N1CCOCC1)c1ccc(Cl)cn1,halo,nitro34078097,Replace a hydroxyl in the molecule C[C@@H](CCn1cncn1)[NH2+]C[C@H](O)c1ccccc1Cl by aldehyde.,C[C@@H](CCn1cncn1)[NH2+]C[C@H](O)c1ccccc1Cl,hydroxyl,aldehyde34167500,Modify the molecule COc1ccc(F)c(NC(=O)NCCC[NH+]2CCC(C)CC2)c1 by substituting a halo with carboxyl.,COc1ccc(F)c(NC(=O)NCCC[NH+]2CCC(C)CC2)c1,halo,carboxyl34260,Replace a halo in the molecule CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1 by hydroxyl.,CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1,halo,hydroxyl343118526,Modify the molecule Cc1nnc(C[NH+](Cc2c(F)cccc2N2CCCC2)C(C)(C)C)o1 by substituting a halo with nitrile.,Cc1nnc(C[NH+](Cc2c(F)cccc2N2CCCC2)C(C)(C)C)o1,halo,nitrile344215298,Please replace a nitrile in the molecule N#Cc1ccc2nc(N3CC[C@H](c4ccccc4)C3)ccc2c1 with aldehyde.,N#Cc1ccc2nc(N3CC[C@H](c4ccccc4)C3)ccc2c1,nitrile,aldehyde345158968,Replace a hydroxyl in the molecule O=C(c1cc2c(cc1O)OCO2)N1CCC[C@@H]1c1ccco1 by nitro.,O=C(c1cc2c(cc1O)OCO2)N1CCC[C@@H]1c1ccco1,hydroxyl,nitro34664049,Replace a hydroxyl in the molecule C[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CCCc2ccccc21 by halo.,C[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CCCc2ccccc21,hydroxyl,halo34719340,Modify the molecule Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C by replacing a nitro by thiol.,Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C,nitro,thiol348211820,Please replace a hydroxyl in the molecule CNS(=O)(=O)c1ccc(NCC(C)(C)C[C@@H](C)O)nc1 with carboxyl.,CNS(=O)(=O)c1ccc(NCC(C)(C)C[C@@H](C)O)nc1,hydroxyl,carboxyl349123920,Substitute a nitro in the molecule C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc21 with carboxyl.,C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc21,nitro,carboxyl350120559,Please replace a halo in the molecule Cc1cc(C(=O)N(C)CCS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 with thiol.,Cc1cc(C(=O)N(C)CCS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1,halo,thiol35177269,Substitute a halo in the molecule [NH3+][C@H](C(=O)[O-])c1cc(F)c(Cl)c(Cl)c1 with thiol.,[NH3+][C@H](C(=O)[O-])c1cc(F)c(Cl)c(Cl)c1,halo,thiol3528946,Please substitute a nitro in the molecule O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 by halo.,O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1,nitro,halo35333644,Modify the molecule O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1 by substituting a halo with nitrile.,O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1,halo,nitrile354221116,Please replace a halo in the molecule CN(Cc1ccccc1Br)C(=O)CN1CSCC1=O with hydroxyl.,CN(Cc1ccccc1Br)C(=O)CN1CSCC1=O,halo,hydroxyl355152192,Please replace a halo in the molecule Fc1ccccc1CSC1=N[C@H]2[NH+]=c3ccccc3=C2N=N1 with nitrile.,Fc1ccccc1CSC1=N[C@H]2[NH+]=c3ccccc3=C2N=N1,halo,nitrile356117654,Modify the molecule CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 by replacing a halo by thiol.,CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12,halo,thiol357231860,Modify the molecule Cc1cc([C@@H](C)Nc2snc(C)c2C#N)c(C)s1 by replacing a nitrile by thiol.,Cc1cc([C@@H](C)Nc2snc(C)c2C#N)c(C)s1,nitrile,thiol358141238,Replace a hydroxyl in the molecule CSC[C@@H](CCO)[NH2+][C@@H]1CCc2[nH]c3ccccc3c2C1 by halo.,CSC[C@@H](CCO)[NH2+][C@@H]1CCc2[nH]c3ccccc3c2C1,hydroxyl,halo359102004,Substitute a halo in the molecule C[NH2+][C@H](c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 with nitrile.,C[NH2+][C@H](c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1,halo,nitrile36051617,Please substitute a thiol in the molecule C[NH+](Cc1cccc(C#N)c1)CC1(CS)CCC1 by nitrile.,C[NH+](Cc1cccc(C#N)c1)CC1(CS)CCC1,thiol,nitrile36145291,Modify the molecule COc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1Cl by substituting a halo with thiol.,COc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1Cl,halo,thiol362135730,Substitute a aldehyde in the molecule Cc1cc(O)c(CC=O)c(O)c1 with nitro.,Cc1cc(O)c(CC=O)c(O)c1,aldehyde,nitro36365800,Please substitute a halo in the molecule COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 by nitrile.,COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1,halo,nitrile364208718,Substitute a halo in the molecule CCC[C@H]1CN(C(=O)c2cc3cccc(Cl)c3o2)CCO1 with aldehyde.,CCC[C@H]1CN(C(=O)c2cc3cccc(Cl)c3o2)CCO1,halo,aldehyde365173597,Substitute a halo in the molecule COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1 with aldehyde.,COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1,halo,aldehyde366224387,Please substitute a halo in the molecule CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC by nitro.,CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC,halo,nitro36743784,Modify the molecule COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1Cl by replacing a halo by nitro.,COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1Cl,halo,nitro368146350,Please substitute a hydroxyl in the molecule OCc1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 by aldehyde.,OCc1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1,hydroxyl,aldehyde36981165,Replace a nitrile in the molecule COc1ccc(OC)c([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 by hydroxyl.,COc1ccc(OC)c([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1,nitrile,hydroxyl37046393,Please replace a halo in the molecule Cc1ccc(N(C)C(=O)C2=CCCCO2)cc1Cl with carboxyl.,Cc1ccc(N(C)C(=O)C2=CCCCO2)cc1Cl,halo,carboxyl371201866,Modify the molecule O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)Oc2ccccc21 by substituting a hydroxyl with carboxyl.,O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)Oc2ccccc21,hydroxyl,carboxyl372133285,Substitute a halo in the molecule CCn1nnnc1-c1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 with nitrile.,CCn1nnnc1-c1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1,halo,nitrile373230734,Modify the molecule CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 by replacing a halo by aldehyde.,CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1,halo,aldehyde37438734,Please replace a halo in the molecule Cc1ccc(-n2nnnc2SCc2ccccc2Cl)cc1 with nitrile.,Cc1ccc(-n2nnnc2SCc2ccccc2Cl)cc1,halo,nitrile37539016,Modify the molecule O=C(Nc1nc(CC(=O)N2CCCC2)cs1)c1ccc(Cl)cc1 by substituting a halo with nitro.,O=C(Nc1nc(CC(=O)N2CCCC2)cs1)c1ccc(Cl)cc1,halo,nitro376161740,Please replace a hydroxyl in the molecule C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCc2ccccc21 with carboxyl.,C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCc2ccccc21,hydroxyl,carboxyl37725315,Replace a halo in the molecule Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2cc1C by nitro.,Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2cc1C,halo,nitro3789545,Replace a halo in the molecule O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 by nitro.,O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1,halo,nitro3799895,Please replace a halo in the molecule CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1 with hydroxyl.,CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1,halo,hydroxyl380166420,Replace a nitrile in the molecule Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)o2)cc1 by halo.,Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)o2)cc1,nitrile,halo38162910,Replace a halo in the molecule CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(F)cc1F by thiol.,CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(F)cc1F,halo,thiol382198785,Modify the molecule CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc1N by replacing a halo by carboxyl.,CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc1N,halo,carboxyl383221402,Please substitute a halo in the molecule CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C[C@H](O)c2ccc(Cl)cc2)C1 by nitro.,CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C[C@H](O)c2ccc(Cl)cc2)C1,halo,nitro384222805,Modify the molecule C[NH+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 by substituting a nitro with halo.,C[NH+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1,nitro,halo38594905,Replace a nitrile in the molecule COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N by halo.,COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N,nitrile,halo38652105,Substitute a halo in the molecule CC[C@H](C)C[NH2+]CCC(=O)Nc1cccc(Cl)c1C with hydroxyl.,CC[C@H](C)C[NH2+]CCC(=O)Nc1cccc(Cl)c1C,halo,hydroxyl387247199,Please substitute a hydroxyl in the molecule Cc1cccc(OC[C@H](O)CNC(=O)c2sccc2-c2ccccc2)c1 by nitro.,Cc1cccc(OC[C@H](O)CNC(=O)c2sccc2-c2ccccc2)c1,hydroxyl,nitro388232970,Substitute a halo in the molecule CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F with nitrile.,CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F,halo,nitrile389233344,Modify the molecule CCC[C@@H](CC)n1c(CCCl)nc2c(OC)ncnc21 by replacing a halo by carboxyl.,CCC[C@@H](CC)n1c(CCCl)nc2c(OC)ncnc21,halo,carboxyl39049252,Substitute a halo in the molecule O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)Cc1ccccc1 with aldehyde.,O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)Cc1ccccc1,halo,aldehyde391186293,Replace a halo in the molecule CCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 by nitrile.,CCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1,halo,nitrile392246170,Please substitute a halo in the molecule Cc1ccc(NCC(=O)N2CCC[C@@H](C(N)=O)C2)c(F)c1 by thiol.,Cc1ccc(NCC(=O)N2CCC[C@@H](C(N)=O)C2)c(F)c1,halo,thiol39373729,Please replace a hydroxyl in the molecule O=C([O-])[C@@H]([C@H](O)c1ccccc1)n1nnc2ccccc21 with nitro.,O=C([O-])[C@@H]([C@H](O)c1ccccc1)n1nnc2ccccc21,hydroxyl,nitro39468733,Replace a halo in the molecule Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1C by nitrile.,Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1C,halo,nitrile395157202,Replace a hydroxyl in the molecule C[C@@]1(CO)CCC[C@H]1NC(=O)NCc1ccc2c(c1)OCO2 by aldehyde.,C[C@@]1(CO)CCC[C@H]1NC(=O)NCc1ccc2c(c1)OCO2,hydroxyl,aldehyde396111001,Please replace a halo in the molecule O=C1N[C@]2(COC3(CCN(C(=O)Cc4ccccc4Cl)CC3)C2)Nc2ccccc21 with thiol.,O=C1N[C@]2(COC3(CCN(C(=O)Cc4ccccc4Cl)CC3)C2)Nc2ccccc21,halo,thiol397246402,Modify the molecule C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1 by replacing a nitro by aldehyde.,C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1,nitro,aldehyde39878895,Modify the molecule Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cccc(Cl)c21 by substituting a halo with nitrile.,Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cccc(Cl)c21,halo,nitrile39940150,Replace a halo in the molecule O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1 by aldehyde.,O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1,halo,aldehyde400159396,Substitute a nitrile in the molecule C[C@@H](C#N)CC(=O)c1cccnc1 with carboxyl.,C[C@@H](C#N)CC(=O)c1cccnc1,nitrile,carboxyl401123703,Please replace a halo in the molecule COc1cccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 with hydroxyl.,COc1cccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1,halo,hydroxyl402241856,Modify the molecule O=Cc1cn2c(nc3ccccc32)s1 by replacing a aldehyde by carboxyl.,O=Cc1cn2c(nc3ccccc32)s1,aldehyde,carboxyl403189924,Replace a halo in the molecule Cc1nn(CN2CCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-] by nitrile.,Cc1nn(CN2CCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-],halo,nitrile40471187,Please substitute a halo in the molecule CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccccc3Cl)C[C@@H]12 by nitro.,CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccccc3Cl)C[C@@H]12,halo,nitro40577481,Please substitute a halo in the molecule Cc1csc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)n1 by nitrile.,Cc1csc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)n1,halo,nitrile406209533,Substitute a nitro in the molecule C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCOCC1 with carboxyl.,C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCOCC1,nitro,carboxyl407173342,Please replace a nitrile in the molecule Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(C(C)C)cc3)c2c1C#N with halo.,Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(C(C)C)cc3)c2c1C#N,nitrile,halo408123629,Substitute a halo in the molecule CCOC(=O)NC(C)(C)c1ccc(Br)cc1 with hydroxyl.,CCOC(=O)NC(C)(C)c1ccc(Br)cc1,halo,hydroxyl409242096,Please substitute a nitro in the molecule Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n(C)c(=O)c2c1C by halo.,Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n(C)c(=O)c2c1C,nitro,halo4102978,Modify the molecule CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 by replacing a halo by nitrile.,CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1,halo,nitrile41140301,Please replace a halo in the molecule CN(Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2)c(F)c1 with thiol.,CN(Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2)c(F)c1,halo,thiol41237756,Please replace a halo in the molecule CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 with thiol.,CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1,halo,thiol413199534,Please substitute a hydroxyl in the molecule CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(O)c(OC)c1 by carboxyl.,CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(O)c(OC)c1,hydroxyl,carboxyl41436171,Please replace a hydroxyl in the molecule O[C@H](c1cc(F)cc(F)c1)C1([NH+]2CCCCC2)CCCC1 with nitro.,O[C@H](c1cc(F)cc(F)c1)C1([NH+]2CCCCC2)CCCC1,hydroxyl,nitro41516569,Modify the molecule Cc1c(C(=O)Nc2ccc(C(F)(F)F)nc2)cnn1C(C)C by replacing a halo by hydroxyl.,Cc1c(C(=O)Nc2ccc(C(F)(F)F)nc2)cnn1C(C)C,halo,hydroxyl416239319,Please replace a hydroxyl in the molecule O=C(c1ccc2cccc(F)c2n1)N1CCC[C@@H]1CO with halo.,O=C(c1ccc2cccc(F)c2n1)N1CCC[C@@H]1CO,hydroxyl,halo41781581,Substitute a nitrile in the molecule CS(=O)(=O)[N-]c1ccc(CNc2ccc(C#N)cn2)cc1 with thiol.,CS(=O)(=O)[N-]c1ccc(CNc2ccc(C#N)cn2)cc1,nitrile,thiol418213606,Substitute a halo in the molecule CC[C@@H]1C(=O)NC(=O)C[C@H]1c1ccc(OC)c(Cl)c1 with nitrile.,CC[C@@H]1C(=O)NC(=O)C[C@H]1c1ccc(OC)c(Cl)c1,halo,nitrile4195106,Substitute a nitro in the molecule COCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O with halo.,COCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O,nitro,halo420181157,Modify the molecule Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1 by substituting a halo with nitro.,Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1,halo,nitro421232938,Please substitute a halo in the molecule CC/[NH+]=C(/NCCSc1ccccc1F)N1CCC(O)CC1 by carboxyl.,CC/[NH+]=C(/NCCSc1ccccc1F)N1CCC(O)CC1,halo,carboxyl422238686,Please replace a halo in the molecule O=C1C(Br)=C(Br)C(=O)c2cc(Cl)ccc21 with aldehyde.,O=C1C(Br)=C(Br)C(=O)c2cc(Cl)ccc21,halo,aldehyde42332026,Replace a hydroxyl in the molecule O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1O by carboxyl.,O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1O,hydroxyl,carboxyl42468747,Replace a halo in the molecule CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2(c3cccc(F)c3)CC2)C1 by thiol.,CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2(c3cccc(F)c3)CC2)C1,halo,thiol42510220,Please replace a nitrile in the molecule COCCn1c([O-])c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O with hydroxyl.,COCCn1c([O-])c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O,nitrile,hydroxyl426112253,Please substitute a halo in the molecule CCC[C@H](C)N(C)c1cc(C)c(F)cc1[C@H](C)[NH3+] by aldehyde.,CCC[C@H](C)N(C)c1cc(C)c(F)cc1[C@H](C)[NH3+],halo,aldehyde427237441,Substitute a halo in the molecule CCCc1ccc(C(=O)NNc2c(Cl)cncc2Cl)cc1 with hydroxyl.,CCCc1ccc(C(=O)NNc2c(Cl)cncc2Cl)cc1,halo,hydroxyl428155539,Substitute a halo in the molecule C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccncc1 with thiol.,C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccncc1,halo,thiol4294986,Replace a hydroxyl in the molecule C[C@](O)(CNC(=O)COc1ccccc1Cl)c1ccc(F)cc1 by aldehyde.,C[C@](O)(CNC(=O)COc1ccccc1Cl)c1ccc(F)cc1,hydroxyl,aldehyde430224202,Modify the molecule Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 by substituting a halo with aldehyde.,Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1,halo,aldehyde431138687,Modify the molecule Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)s2)c1 by substituting a halo with hydroxyl.,Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)s2)c1,halo,hydroxyl432182952,Modify the molecule COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 by replacing a halo by nitrile.,COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1,halo,nitrile43345487,Modify the molecule CCn1nccc1[C@H]([NH3+])CSc1ccccc1Cl by replacing a halo by carboxyl.,CCn1nccc1[C@H]([NH3+])CSc1ccccc1Cl,halo,carboxyl43450749,Modify the molecule O=C(COc1ccc2ccccc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 by replacing a halo by carboxyl.,O=C(COc1ccc2ccccc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1,halo,carboxyl435226581,Replace a hydroxyl in the molecule Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1 by nitrile.,Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1,hydroxyl,nitrile436214480,Substitute a nitrile in the molecule N#CCSc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1 with hydroxyl.,N#CCSc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1,nitrile,hydroxyl437159171,Please substitute a halo in the molecule CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 by aldehyde.,CC(=O)N[C@H](C#N)c1ccc(Cl)cc1,halo,aldehyde438205523,Modify the molecule C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 by substituting a nitro with aldehyde.,C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1,nitro,aldehyde439217727,Modify the molecule CC1=c2ccccc2=[NH+]C(=O)[C@@H]1Sc1nnc(-c2ccccc2Br)o1 by replacing a halo by hydroxyl.,CC1=c2ccccc2=[NH+]C(=O)[C@@H]1Sc1nnc(-c2ccccc2Br)o1,halo,hydroxyl440136213,Modify the molecule N#C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(Cl)c1Cl by replacing a nitrile by hydroxyl.,N#C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(Cl)c1Cl,nitrile,hydroxyl44148869,Please substitute a halo in the molecule CN(C(=O)c1ccc(F)c(F)c1F)c1ccncc1N by nitrile.,CN(C(=O)c1ccc(F)c(F)c1F)c1ccncc1N,halo,nitrile442191265,Please replace a nitrile in the molecule CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C with nitro.,CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C,nitrile,nitro443173109,Modify the molecule CC[NH+](Cc1ccccc1)C[C@@H](C)CS by substituting a thiol with halo.,CC[NH+](Cc1ccccc1)C[C@@H](C)CS,thiol,halo444217086,Modify the molecule O=Cc1cccc(OCc2cccc3ccccc23)c1 by substituting a aldehyde with halo.,O=Cc1cccc(OCc2cccc3ccccc23)c1,aldehyde,halo44556353,Please substitute a nitrile in the molecule CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c2O1 by halo.,CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c2O1,nitrile,halo44633821,Substitute a hydroxyl in the molecule O=C(CC1(O)CCCCC1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 with halo.,O=C(CC1(O)CCCCC1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1,hydroxyl,halo44714812,Please replace a halo in the molecule Cc1ccc(NC(=O)C(=O)NCCCN(C)c2ccccc2F)cc1 with hydroxyl.,Cc1ccc(NC(=O)C(=O)NCCCN(C)c2ccccc2F)cc1,halo,hydroxyl44819958,Substitute a halo in the molecule COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 with nitro.,COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1,halo,nitro44929608,Substitute a halo in the molecule Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)ccc21 with nitro.,Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)ccc21,halo,nitro450204143,Please substitute a nitrile in the molecule COc1ccc([C@H]2CCCN2C[C@H](C#N)CCC#N)c(OC)c1 by hydroxyl.,COc1ccc([C@H]2CCCN2C[C@H](C#N)CCC#N)c(OC)c1,nitrile,hydroxyl4514641,Modify the molecule CN(CC1CC[NH+](C)CC1)[C@@H](C[NH3+])c1cc(Cl)cs1 by replacing a halo by nitrile.,CN(CC1CC[NH+](C)CC1)[C@@H](C[NH3+])c1cc(Cl)cs1,halo,nitrile452118807,Replace a nitrile in the molecule COc1ccc(/C([O-])=C(\C#N)C(=O)Nc2ccccc2OC)c(C)c1 by aldehyde.,COc1ccc(/C([O-])=C(\C#N)C(=O)Nc2ccccc2OC)c(C)c1,nitrile,aldehyde45366752,Modify the molecule C[NH+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 by substituting a halo with nitro.,C[NH+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1,halo,nitro454106892,Modify the molecule O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(-c2ccccc2)on1 by substituting a halo with nitro.,O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(-c2ccccc2)on1,halo,nitro455167153,Substitute a halo in the molecule COc1ccc([C@H]2C(N)=NC(=O)N2CC(C)C)cc1Br with hydroxyl.,COc1ccc([C@H]2C(N)=NC(=O)N2CC(C)C)cc1Br,halo,hydroxyl456247921,Substitute a halo in the molecule C[NH+](C)CCn1ccc(NC(=O)Cc2c(F)cccc2F)n1 with thiol.,C[NH+](C)CCn1ccc(NC(=O)Cc2c(F)cccc2F)n1,halo,thiol457168102,Please replace a halo in the molecule CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] with nitro.,CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-],halo,nitro45826736,Replace a halo in the molecule CC[NH2+]C[C@H](Cc1nc(C)cs1)c1ccc(Cl)cc1 by nitro.,CC[NH2+]C[C@H](Cc1nc(C)cs1)c1ccc(Cl)cc1,halo,nitro459132279,Please replace a halo in the molecule Clc1cccc(CNCCc2c[nH]c3ccccc23)c1Cl with nitro.,Clc1cccc(CNCCc2c[nH]c3ccccc23)c1Cl,halo,nitro460238221,Please replace a halo in the molecule CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(c2ccc(Cl)cc2)CCCC1 with carboxyl.,CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(c2ccc(Cl)cc2)CCCC1,halo,carboxyl46116766,Replace a halo in the molecule Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2[nH]ncc2c1=O by thiol.,Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2[nH]ncc2c1=O,halo,thiol46257031,Substitute a nitro in the molecule C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2[N+](=O)[O-])C1 with aldehyde.,C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2[N+](=O)[O-])C1,nitro,aldehyde463141391,Please substitute a halo in the molecule O=c1[nH]nc(CCNc2ccc3cc(Br)ccc3n2)[nH]1 by hydroxyl.,O=c1[nH]nc(CCNc2ccc3cc(Br)ccc3n2)[nH]1,halo,hydroxyl464183244,Please replace a halo in the molecule COC[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(F)c(F)c1 with hydroxyl.,COC[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(F)c(F)c1,halo,hydroxyl46560376,Substitute a halo in the molecule COC(=O)C(C)(C)CNc1ccccc1SC(F)F with thiol.,COC(=O)C(C)(C)CNc1ccccc1SC(F)F,halo,thiol466147862,Modify the molecule COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC by substituting a halo with aldehyde.,COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC,halo,aldehyde46724082,Modify the molecule CC(C)Sc1ccccc1C(=O)NNc1cc(C#N)cc(Cl)n1 by substituting a halo with nitrile.,CC(C)Sc1ccccc1C(=O)NNc1cc(C#N)cc(Cl)n1,halo,nitrile468122573,Please substitute a halo in the molecule CCOC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 by thiol.,CCOC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1,halo,thiol469105562,Substitute a halo in the molecule COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 with carboxyl.,COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1,halo,carboxyl470201968,Please substitute a halo in the molecule O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1N1CCOCC1 by thiol.,O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1N1CCOCC1,halo,thiol471242825,Replace a halo in the molecule Cc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC(F)F)c2)cc1F by nitrile.,Cc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC(F)F)c2)cc1F,halo,nitrile47265462,Modify the molecule Cc1cccc(CC[C@H]([NH3+])Cc2ccc(F)cc2F)c1 by substituting a halo with hydroxyl.,Cc1cccc(CC[C@H]([NH3+])Cc2ccc(F)cc2F)c1,halo,hydroxyl473109794,Substitute a halo in the molecule Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2cc(Cl)ccc2n1C with aldehyde.,Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2cc(Cl)ccc2n1C,halo,aldehyde474166835,Please substitute a nitrile in the molecule COc1ccc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3s2)cc1 by aldehyde.,COc1ccc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3s2)cc1,nitrile,aldehyde47558683,Replace a halo in the molecule CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[N+](=O)[O-] by nitrile.,CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[N+](=O)[O-],halo,nitrile47638776,Modify the molecule CCCCOc1ccc(NC(=O)N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)cc1 by substituting a halo with carboxyl.,CCCCOc1ccc(NC(=O)N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)cc1,halo,carboxyl477151065,Modify the molecule COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(F)cc1[N+](=O)[O-] by substituting a nitro with halo.,COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(F)cc1[N+](=O)[O-],nitro,halo47821955,Substitute a hydroxyl in the molecule CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O with nitrile.,CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O,hydroxyl,nitrile479100138,Modify the molecule COc1cc(C(=O)N(C)C)ccc1NC(=O)NNc1ccc(F)cc1 by replacing a halo by hydroxyl.,COc1cc(C(=O)N(C)C)ccc1NC(=O)NNc1ccc(F)cc1,halo,hydroxyl48047137,Replace a halo in the molecule Nc1c(Cl)cc(NC(=O)CCn2c(=O)oc3ccccc32)cc1Cl by thiol.,Nc1c(Cl)cc(NC(=O)CCn2c(=O)oc3ccccc32)cc1Cl,halo,thiol48162688,Please substitute a halo in the molecule O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccco1 by carboxyl.,O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccco1,halo,carboxyl48292196,Modify the molecule Cn1c(CC2CC[NH2+]CC2)nc2c(F)cccc21 by substituting a halo with aldehyde.,Cn1c(CC2CC[NH2+]CC2)nc2c(F)cccc21,halo,aldehyde483169401,Modify the molecule C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)nc1 by replacing a halo by hydroxyl.,C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)nc1,halo,hydroxyl48490261,Substitute a hydroxyl in the molecule C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC(C)(C)O with aldehyde.,C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC(C)(C)O,hydroxyl,aldehyde48569954,Please replace a nitro in the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCO1 with halo.,Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCO1,nitro,halo48631469,Modify the molecule CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1 by replacing a halo by carboxyl.,CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1,halo,carboxyl48756179,Substitute a halo in the molecule CC(C)(C)C(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl with carboxyl.,CC(C)(C)C(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl,halo,carboxyl488111018,Modify the molecule Cc1nn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc2s1 by substituting a halo with nitrile.,Cc1nn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc2s1,halo,nitrile48988566,Modify the molecule O=C(NO)/C(CC(=O)c1ccc(O)cc1)=N/O by replacing a hydroxyl by aldehyde.,O=C(NO)/C(CC(=O)c1ccc(O)cc1)=N/O,hydroxyl,aldehyde490125847,Please substitute a nitro in the molecule O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2 by nitrile.,O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2,nitro,nitrile49141176,Please replace a halo in the molecule CCOC(=O)c1coc(NC(=O)NCc2ccc(F)cc2)n1 with carboxyl.,CCOC(=O)c1coc(NC(=O)NCc2ccc(F)cc2)n1,halo,carboxyl49269727,Modify the molecule COc1ccc([N+](=O)[O-])cc1CSc1nnc(Cc2csc(C)n2)o1 by substituting a nitro with halo.,COc1ccc([N+](=O)[O-])cc1CSc1nnc(Cc2csc(C)n2)o1,nitro,halo493178527,Replace a halo in the molecule Cc1cccc(NC(=O)NCCNc2ncccc2C(F)(F)F)c1C by nitro.,Cc1cccc(NC(=O)NCCNc2ncccc2C(F)(F)F)c1C,halo,nitro494210928,Please substitute a hydroxyl in the molecule CCCCn1ccc([C@H](O)C(C)C)c1 by nitrile.,CCCCn1ccc([C@H](O)C(C)C)c1,hydroxyl,nitrile495153226,Please substitute a halo in the molecule Nc1ccc(SCC(=O)NC(=O)c2ccccc2Cl)cn1 by nitro.,Nc1ccc(SCC(=O)NC(=O)c2ccccc2Cl)cn1,halo,nitro49693014,Substitute a halo in the molecule O=C(CCCn1sc2ccccc2c1=O)NCc1ccc(F)cc1 with thiol.,O=C(CCCn1sc2ccccc2c1=O)NCc1ccc(F)cc1,halo,thiol497197771,Substitute a halo in the molecule CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H]1CCCN1C(=O)c1ccccc1C with nitrile.,CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H]1CCCN1C(=O)c1ccccc1C,halo,nitrile498195261,Modify the molecule Cn1ccnc(NC(=O)CCc2ccc(Br)cc2)c1=O by replacing a halo by hydroxyl.,Cn1ccnc(NC(=O)CCc2ccc(Br)cc2)c1=O,halo,hydroxyl499218426,Please substitute a nitrile in the molecule CC[C@H](C#N)OC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 by halo.,CC[C@H](C#N)OC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1,nitrile,halo500220149,Replace a nitro in the molecule CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 by aldehyde.,CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1,nitro,aldehyde501173804,Replace a halo in the molecule Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C by aldehyde.,Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C,halo,aldehyde5023198,Please substitute a halo in the molecule Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2c1CC(C)(C)O2 by carboxyl.,Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2c1CC(C)(C)O2,halo,carboxyl503246443,Substitute a nitrile in the molecule CSc1nc([O-])c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1C#N with nitro.,CSc1nc([O-])c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1C#N,nitrile,nitro504102868,Modify the molecule Cc1ccsc1C(=O)NC[C@@H](CCO)c1ccccc1 by replacing a hydroxyl by carboxyl.,Cc1ccsc1C(=O)NC[C@@H](CCO)c1ccccc1,hydroxyl,carboxyl505107192,Substitute a halo in the molecule CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1C(F)(F)F with nitrile.,CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1C(F)(F)F,halo,nitrile506111461,Modify the molecule O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1 by substituting a halo with nitrile.,O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1,halo,nitrile50750623,Please replace a nitrile in the molecule N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)CC1CC1 with hydroxyl.,N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)CC1CC1,nitrile,hydroxyl508172109,Please substitute a nitrile in the molecule N#Cc1cccc(COc2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)c1 by nitro.,N#Cc1cccc(COc2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)c1,nitrile,nitro50933845,Replace a halo in the molecule Cc1cccc(C)c1-n1ccn(Cc2nc(-c3cccc(F)c3)no2)c(=O)c1=O by hydroxyl.,Cc1cccc(C)c1-n1ccn(Cc2nc(-c3cccc(F)c3)no2)c(=O)c1=O,halo,hydroxyl5103054,Please replace a hydroxyl in the molecule O[C@H](CNc1ncnc2sc3c(c12)CCNC3)c1ccccc1 with nitrile.,O[C@H](CNc1ncnc2sc3c(c12)CCNC3)c1ccccc1,hydroxyl,nitrile511175696,Please substitute a halo in the molecule O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccccc1Cl by carboxyl.,O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccccc1Cl,halo,carboxyl512104540,Replace a halo in the molecule COc1cccc(CCNCc2c(F)cccc2F)c1 by hydroxyl.,COc1cccc(CCNCc2c(F)cccc2F)c1,halo,hydroxyl51380705,Please replace a hydroxyl in the molecule CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1C[NH+](CC)CC(C)(C)O with nitrile.,CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1C[NH+](CC)CC(C)(C)O,hydroxyl,nitrile514144987,Please replace a halo in the molecule COc1ccc([C@H]2OCC[C@H]2CCl)c(Cl)c1OC with hydroxyl.,COc1ccc([C@H]2OCC[C@H]2CCl)c(Cl)c1OC,halo,hydroxyl515164307,Please replace a hydroxyl in the molecule C[C@@H]1CN(C[C@H](O)COc2ccccc2F)C(C)(C)CO1 with carboxyl.,C[C@@H]1CN(C[C@H](O)COc2ccccc2F)C(C)(C)CO1,hydroxyl,carboxyl516147222,Please substitute a halo in the molecule CCCS(=O)(=O)NCCc1cc(F)ccc1F by nitrile.,CCCS(=O)(=O)NCCc1cc(F)ccc1F,halo,nitrile517186941,Substitute a halo in the molecule Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O with carboxyl.,Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O,halo,carboxyl51825322,Replace a halo in the molecule C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1cccc(F)c1 by aldehyde.,C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1cccc(F)c1,halo,aldehyde519162956,Modify the molecule O=C(Nc1ccccn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 by substituting a nitro with hydroxyl.,O=C(Nc1ccccn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1,nitro,hydroxyl520179040,Modify the molecule Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1 by substituting a halo with nitrile.,Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1,halo,nitrile521145434,Replace a hydroxyl in the molecule CCOc1ccccc1/C=C/C(=O)NC[C@@](C)(O)c1ccc(C)o1 by nitro.,CCOc1ccccc1/C=C/C(=O)NC[C@@](C)(O)c1ccc(C)o1,hydroxyl,nitro52266023,Please substitute a nitro in the molecule CNC(=O)NC(=O)COc1ccc(C)cc1[N+](=O)[O-] by aldehyde.,CNC(=O)NC(=O)COc1ccc(C)cc1[N+](=O)[O-],nitro,aldehyde523124462,Modify the molecule CC(C)[C@@H]1N(C(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1 by replacing a halo by carboxyl.,CC(C)[C@@H]1N(C(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1,halo,carboxyl524119982,Modify the molecule CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1 by replacing a halo by nitrile.,CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1,halo,nitrile52575267,Substitute a hydroxyl in the molecule O=C(NCCc1cccs1)NC[C@H](O)c1ccc(Cl)cc1 with carboxyl.,O=C(NCCc1cccs1)NC[C@H](O)c1ccc(Cl)cc1,hydroxyl,carboxyl52631636,Modify the molecule CC(C)c1cccc2c1OCC[C@@H]2[NH2+]CC1(CO)CCOCC1 by substituting a hydroxyl with halo.,CC(C)c1cccc2c1OCC[C@@H]2[NH2+]CC1(CO)CCOCC1,hydroxyl,halo527193698,Modify the molecule Cc1csc([C@@H](C)NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n1 by substituting a halo with thiol.,Cc1csc([C@@H](C)NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n1,halo,thiol528187162,Replace a halo in the molecule Cc1ccc(Cl)cc1C[NH3+] by thiol.,Cc1ccc(Cl)cc1C[NH3+],halo,thiol529205496,Please substitute a hydroxyl in the molecule N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 by halo.,N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2O)cc1,hydroxyl,halo530183563,Substitute a halo in the molecule Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(F)(F)F)s1 with nitro.,Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(F)(F)F)s1,halo,nitro531128700,Modify the molecule CCC[C@@H](C)C[C@H]([NH3+])c1ncc(Cl)cc1Cl by substituting a halo with carboxyl.,CCC[C@@H](C)C[C@H]([NH3+])c1ncc(Cl)cc1Cl,halo,carboxyl532158912,Modify the molecule COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1 by substituting a halo with carboxyl.,COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1,halo,carboxyl5335914,Please replace a halo in the molecule COc1ccc(-n2nc(SCC(=O)Nc3ccc(Cl)cc3F)ccc2=O)cc1 with carboxyl.,COc1ccc(-n2nc(SCC(=O)Nc3ccc(Cl)cc3F)ccc2=O)cc1,halo,carboxyl534167994,Please substitute a hydroxyl in the molecule COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 by aldehyde.,COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1,hydroxyl,aldehyde53532000,Please substitute a halo in the molecule Brc1cn2c(C[NH2+]C[C@@H]3CCCCO3)cnc2cn1 by carboxyl.,Brc1cn2c(C[NH2+]C[C@@H]3CCCCO3)cnc2cn1,halo,carboxyl53621649,Modify the molecule NC1=[NH+]CC2(CCC(C(F)(F)F)CC2)N1c1ccccc1 by substituting a halo with nitrile.,NC1=[NH+]CC2(CCC(C(F)(F)F)CC2)N1c1ccccc1,halo,nitrile53728770,Modify the molecule CC[C@H](C)CN(C)c1ccc(C(F)(F)F)cc1C#N by substituting a nitrile with nitro.,CC[C@H](C)CN(C)c1ccc(C(F)(F)F)cc1C#N,nitrile,nitro538179940,Modify the molecule C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cnn(C)c1 by substituting a hydroxyl with halo.,C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cnn(C)c1,hydroxyl,halo53956649,Modify the molecule Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21 by substituting a nitrile with carboxyl.,Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21,nitrile,carboxyl540203033,Modify the molecule NNc1ccc(Cl)c(CSC2COC2)n1 by replacing a halo by nitrile.,NNc1ccc(Cl)c(CSC2COC2)n1,halo,nitrile54139443,Please substitute a halo in the molecule CCCN1CCO[C@H]([C@H]([NH2+]C)c2ccc(F)c(F)c2)C1 by nitro.,CCCN1CCO[C@H]([C@H]([NH2+]C)c2ccc(F)c(F)c2)C1,halo,nitro542226403,Please substitute a halo in the molecule CC(C)c1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1 by thiol.,CC(C)c1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1,halo,thiol543226101,Modify the molecule CC(C)(CCBr)c1ccc(F)c(F)c1 by replacing a halo by hydroxyl.,CC(C)(CCBr)c1ccc(F)c(F)c1,halo,hydroxyl544226743,Modify the molecule C[C@@H](CC[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1F by substituting a halo with nitro.,C[C@@H](CC[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1F,halo,nitro545131082,Replace a halo in the molecule CN(CC(F)(F)F)C(=O)CNC(=O)C(=O)Nc1ccc(CC#N)cc1 by carboxyl.,CN(CC(F)(F)F)C(=O)CNC(=O)C(=O)Nc1ccc(CC#N)cc1,halo,carboxyl546108221,Please replace a halo in the molecule NC(=O)[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 with nitro.,NC(=O)[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1,halo,nitro54756280,Modify the molecule O=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O by substituting a halo with thiol.,O=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O,halo,thiol548101464,Substitute a hydroxyl in the molecule CC[C@](C)(CCO)NC(=O)Nc1cc(COC)ncn1 with thiol.,CC[C@](C)(CCO)NC(=O)Nc1cc(COC)ncn1,hydroxyl,thiol54921293,Replace a halo in the molecule O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 by hydroxyl.,O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1,halo,hydroxyl5505716,Substitute a halo in the molecule COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C with nitrile.,COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C,halo,nitrile551119322,Replace a halo in the molecule O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N[C@@H]1CCS(=O)(=O)C1 by carboxyl.,O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N[C@@H]1CCS(=O)(=O)C1,halo,carboxyl552116257,Please substitute a halo in the molecule CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 by carboxyl.,CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1,halo,carboxyl553122729,Replace a hydroxyl in the molecule Cc1cccc(NC2CCN(C(=O)CC3(O)CCCC3)CC2)c1 by nitro.,Cc1cccc(NC2CCN(C(=O)CC3(O)CCCC3)CC2)c1,hydroxyl,nitro554109601,Modify the molecule CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CCOC[C@@H]1C by substituting a halo with aldehyde.,CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CCOC[C@@H]1C,halo,aldehyde55593497,Modify the molecule CC[NH+](C[C@H](O)c1ccc(C)cc1)C1C[C@H](C)O[C@H](C)C1 by substituting a hydroxyl with nitro.,CC[NH+](C[C@H](O)c1ccc(C)cc1)C1C[C@H](C)O[C@H](C)C1,hydroxyl,nitro556217026,Replace a halo in the molecule CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12 by thiol.,CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12,halo,thiol557200275,Substitute a nitrile in the molecule N#Cc1cccnc1O[C@@H]1CCC[NH2+]C1 with thiol.,N#Cc1cccnc1O[C@@H]1CCC[NH2+]C1,nitrile,thiol558164075,Substitute a hydroxyl in the molecule CN(C(=O)c1c(O)cc(F)cc1F)C1CCN(c2cccc(F)c2)CC1 with thiol.,CN(C(=O)c1c(O)cc(F)cc1F)C1CCN(c2cccc(F)c2)CC1,hydroxyl,thiol559130837,Replace a halo in the molecule CC[NH+]1CCC[C@@H]([C@@H](C)Nc2cccc(C(F)(F)F)c2)C1 by nitrile.,CC[NH+]1CCC[C@@H]([C@@H](C)Nc2cccc(C(F)(F)F)c2)C1,halo,nitrile560213677,Replace a halo in the molecule Cn1cnc(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n1 by carboxyl.,Cn1cnc(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n1,halo,carboxyl56130932,Replace a halo in the molecule O=C(N[C@H](C(=O)[O-])C1CC1)c1ccncc1Cl by aldehyde.,O=C(N[C@H](C(=O)[O-])C1CC1)c1ccncc1Cl,halo,aldehyde56291583,Modify the molecule CC(C)c1nncn1CCNC(=O)C1(c2ccc(F)cc2F)CCCC1 by replacing a halo by aldehyde.,CC(C)c1nncn1CCNC(=O)C1(c2ccc(F)cc2F)CCCC1,halo,aldehyde563185055,Please substitute a hydroxyl in the molecule CC[C@@H](CO)N1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 by carboxyl.,CC[C@@H](CO)N1CC[NH+](Cc2coc(-c3cccs3)n2)CC1,hydroxyl,carboxyl564185481,Modify the molecule N#Cc1ccncc1N1CCC(Nc2ccc(F)cc2)CC1 by substituting a nitrile with hydroxyl.,N#Cc1ccncc1N1CCC(Nc2ccc(F)cc2)CC1,nitrile,hydroxyl565168786,Replace a halo in the molecule O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F by thiol.,O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F,halo,thiol566119581,Please replace a halo in the molecule CN(Cc1cccc(F)c1)C(=O)CCCn1ccnn1 with nitrile.,CN(Cc1cccc(F)c1)C(=O)CCCn1ccnn1,halo,nitrile56720336,Modify the molecule O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1 by replacing a halo by aldehyde.,O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1,halo,aldehyde56845204,Please replace a hydroxyl in the molecule CC(=O)N(CCC(=O)NC[C@]1(O)CCSC1)Cc1ccccc1 with thiol.,CC(=O)N(CCC(=O)NC[C@]1(O)CCSC1)Cc1ccccc1,hydroxyl,thiol569202216,Replace a halo in the molecule CSc1ncc(C(=O)NC2CCCC2)c(Cl)n1 by nitro.,CSc1ncc(C(=O)NC2CCCC2)c(Cl)n1,halo,nitro570170727,Modify the molecule N#Cc1cccc(NC(=O)c2ccncc2Cl)c1 by substituting a halo with nitro.,N#Cc1cccc(NC(=O)c2ccncc2Cl)c1,halo,nitro571222710,Please replace a halo in the molecule Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C[NH+](C)C with thiol.,Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C[NH+](C)C,halo,thiol572171969,Modify the molecule CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2cccc(F)c2Cl)C1 by replacing a halo by nitrile.,CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2cccc(F)c2Cl)C1,halo,nitrile573202235,Modify the molecule N#Cc1ccc(OCCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 by replacing a nitrile by nitro.,N#Cc1ccc(OCCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1,nitrile,nitro574162420,Modify the molecule COc1ccc(F)c(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 by substituting a nitrile with thiol.,COc1ccc(F)c(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1,nitrile,thiol575169637,Replace a halo in the molecule CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)on1 by nitro.,CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)on1,halo,nitro57664482,Modify the molecule C[C@@H]1CCc2c(sc3ncn(CCCO)c(=O)c23)C1 by substituting a hydroxyl with nitrile.,C[C@@H]1CCc2c(sc3ncn(CCCO)c(=O)c23)C1,hydroxyl,nitrile57782436,Modify the molecule NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 by replacing a halo by aldehyde.,NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12,halo,aldehyde578164542,Please substitute a hydroxyl in the molecule CS(=O)(=O)N[C@H](CCO)c1ccccc1 by nitro.,CS(=O)(=O)N[C@H](CCO)c1ccccc1,hydroxyl,nitro579196638,Modify the molecule Cc1ccc2nc(CSCC(=O)NCCc3ccccc3F)cn2c1 by substituting a halo with carboxyl.,Cc1ccc2nc(CSCC(=O)NCCc3ccccc3F)cn2c1,halo,carboxyl580218038,Modify the molecule Cc1cc(I)ccc1NC(=O)C[NH+](C)[C@@H]1CCc2ccccc21 by substituting a halo with thiol.,Cc1cc(I)ccc1NC(=O)C[NH+](C)[C@@H]1CCc2ccccc21,halo,thiol581211001,Please substitute a halo in the molecule Cc1cc(CNC(=O)CS(=O)(=O)Cc2ncoc2C(C)C)ccc1F by carboxyl.,Cc1cc(CNC(=O)CS(=O)(=O)Cc2ncoc2C(C)C)ccc1F,halo,carboxyl582197624,Please replace a hydroxyl in the molecule CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1 with nitro.,CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1,hydroxyl,nitro58339806,Please substitute a halo in the molecule O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 by nitro.,O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1,halo,nitro584120054,Replace a nitro in the molecule CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc([N+](=O)[O-])cc1 by halo.,CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc([N+](=O)[O-])cc1,nitro,halo585216153,Please substitute a halo in the molecule CCN(CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 by nitro.,CCN(CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,halo,nitro58662131,Replace a halo in the molecule O=c1ccc(C(F)(F)F)cn1Cc1coc(-c2ccccc2)n1 by nitrile.,O=c1ccc(C(F)(F)F)cn1Cc1coc(-c2ccccc2)n1,halo,nitrile587187810,Please substitute a halo in the molecule COc1ccc(NC(=O)C[NH+]2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 by nitro.,COc1ccc(NC(=O)C[NH+]2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1,halo,nitro588215014,Please substitute a hydroxyl in the molecule CC1=CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)[O-])[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O by carboxyl.,CC1=CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)[O-])[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O,hydroxyl,carboxyl589139022,Substitute a halo in the molecule Nc1ccc(SCc2nc(-c3ccco3)no2)cc1F with hydroxyl.,Nc1ccc(SCc2nc(-c3ccco3)no2)cc1F,halo,hydroxyl590127070,Modify the molecule CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1 by replacing a halo by aldehyde.,CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1,halo,aldehyde591120809,Please replace a halo in the molecule O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(F)(F)F with carboxyl.,O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(F)(F)F,halo,carboxyl59242564,Please replace a nitrile in the molecule N#Cc1cccc(CS(=O)(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 with thiol.,N#Cc1cccc(CS(=O)(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1,nitrile,thiol59346877,Please substitute a halo in the molecule C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1 by nitrile.,C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1,halo,nitrile59452603,Replace a halo in the molecule COC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 by hydroxyl.,COC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1,halo,hydroxyl595153177,Modify the molecule CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/[S-])NC)cc1 by substituting a halo with aldehyde.,CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/[S-])NC)cc1,halo,aldehyde596163251,Replace a nitro in the molecule COc1ccc([N+](=O)[O-])cc1N/C([O-])=N/S(=O)(=O)c1ccc(C)cc1 by hydroxyl.,COc1ccc([N+](=O)[O-])cc1N/C([O-])=N/S(=O)(=O)c1ccc(C)cc1,nitro,hydroxyl59720433,Please substitute a halo in the molecule Nc1scc[n+]1Cc1cccc(F)c1 by carboxyl.,Nc1scc[n+]1Cc1cccc(F)c1,halo,carboxyl59845043,Please replace a halo in the molecule CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2Cl)C1 with aldehyde.,CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2Cl)C1,halo,aldehyde599171244,Please substitute a halo in the molecule S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 by hydroxyl.,S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1,halo,hydroxyl600168550,Modify the molecule CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2c1cnn2C by substituting a nitrile with halo.,CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2c1cnn2C,nitrile,halo60179874,Modify the molecule CCOc1ccc(NC(=O)CN2CCCCCCC2=O)c(C(F)(F)F)c1 by substituting a halo with thiol.,CCOc1ccc(NC(=O)CN2CCCCCCC2=O)c(C(F)(F)F)c1,halo,thiol60295847,Modify the molecule O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 by replacing a halo by thiol.,O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1,halo,thiol60397917,Please substitute a halo in the molecule O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CCO1)CC2 by nitro.,O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CCO1)CC2,halo,nitro604185506,Modify the molecule C[C@H](CCCO)Nc1ccc(C#N)c(N)c1 by substituting a nitrile with aldehyde.,C[C@H](CCCO)Nc1ccc(C#N)c(N)c1,nitrile,aldehyde60513772,Substitute a hydroxyl in the molecule C[C@@H](O)[C@@H]1CCCC[NH+]1Cc1ccccc1OCc1cccnc1 with carboxyl.,C[C@@H](O)[C@@H]1CCCC[NH+]1Cc1ccccc1OCc1cccnc1,hydroxyl,carboxyl606162650,Replace a nitro in the molecule O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)C1 by nitrile.,O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)C1,nitro,nitrile607167761,Modify the molecule Cc1nc(Cl)sc1C(=O)N1CCC[C@H]([NH+](C)C)C1 by substituting a halo with nitrile.,Cc1nc(Cl)sc1C(=O)N1CCC[C@H]([NH+](C)C)C1,halo,nitrile60889674,Please replace a halo in the molecule CC[NH2+]C[C@@H](CC1CCOCC1)c1cccc(Cl)c1 with nitro.,CC[NH2+]C[C@@H](CC1CCOCC1)c1cccc(Cl)c1,halo,nitro60999261,Please replace a halo in the molecule COC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)s1 with thiol.,COC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)s1,halo,thiol610103897,Substitute a halo in the molecule C[NH+]1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cc(Cl)sc1Cl)CC2 with carboxyl.,C[NH+]1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cc(Cl)sc1Cl)CC2,halo,carboxyl61169721,Please substitute a halo in the molecule C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1c1ncccn1 by carboxyl.,C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1c1ncccn1,halo,carboxyl612139718,Substitute a halo in the molecule Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1 with aldehyde.,Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1,halo,aldehyde61328787,Substitute a halo in the molecule CN(Cc1ccccc1F)C(=O)COC(=O)c1c[nH]c2ccccc12 with nitrile.,CN(Cc1ccccc1F)C(=O)COC(=O)c1c[nH]c2ccccc12,halo,nitrile614107751,Please substitute a halo in the molecule C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F by aldehyde.,C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F,halo,aldehyde615133695,Replace a halo in the molecule CC(C)n1cc(CCCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21 by nitrile.,CC(C)n1cc(CCCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21,halo,nitrile61637948,Please replace a hydroxyl in the molecule CO[C@H](C)[C@H](O)c1cc(F)ccc1C with thiol.,CO[C@H](C)[C@H](O)c1cc(F)ccc1C,hydroxyl,thiol617248229,Modify the molecule COc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2F)cc1F by replacing a halo by thiol.,COc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2F)cc1F,halo,thiol618124864,Substitute a hydroxyl in the molecule CCCSCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl with aldehyde.,CCCSCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl,hydroxyl,aldehyde619175471,Replace a hydroxyl in the molecule C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCC1 by aldehyde.,C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCC1,hydroxyl,aldehyde620184946,Modify the molecule CCCCC[C@@H](C)Nc1nc(Cl)ncc1Cl by replacing a halo by hydroxyl.,CCCCC[C@@H](C)Nc1nc(Cl)ncc1Cl,halo,hydroxyl62175686,Replace a halo in the molecule CCOC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl by carboxyl.,CCOC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl,halo,carboxyl622122778,Please replace a halo in the molecule CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 with nitrile.,CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1,halo,nitrile623196310,Substitute a nitro in the molecule O=[N+]([O-])c1ccc([C@@H](O)CNc2cnc3ccccc3n2)cc1 with hydroxyl.,O=[N+]([O-])c1ccc([C@@H](O)CNc2cnc3ccccc3n2)cc1,nitro,hydroxyl62473791,Replace a halo in the molecule CCOC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CC[NH+](CC)C2 by carboxyl.,CCOC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CC[NH+](CC)C2,halo,carboxyl62578408,Replace a nitro in the molecule CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccc(Br)cc2c1=O by thiol.,CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccc(Br)cc2c1=O,nitro,thiol62648320,Replace a halo in the molecule CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C(=O)c2ccccc2)cc1 by hydroxyl.,CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C(=O)c2ccccc2)cc1,halo,hydroxyl62730398,Substitute a halo in the molecule Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 with nitro.,Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1,halo,nitro628112766,Replace a halo in the molecule O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 by nitro.,O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1,halo,nitro62994486,Substitute a halo in the molecule CCOc1cc(Cl)c([C@H](Cl)[C@@H]2CCO[C@@H]2C)cc1OCC with nitro.,CCOc1cc(Cl)c([C@H](Cl)[C@@H]2CCO[C@@H]2C)cc1OCC,halo,nitro630139897,Modify the molecule CC[C@@H](C)c1ccc(Cn2c(C=O)nc3ccccc32)cc1 by substituting a aldehyde with nitro.,CC[C@@H](C)c1ccc(Cn2c(C=O)nc3ccccc32)cc1,aldehyde,nitro63171806,Substitute a hydroxyl in the molecule C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)CC(C)(C)C with aldehyde.,C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)CC(C)(C)C,hydroxyl,aldehyde632147968,Please replace a nitrile in the molecule CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C#N)C1 with hydroxyl.,CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C#N)C1,nitrile,hydroxyl633225157,Replace a halo in the molecule Fc1ccc(/C=N/Nc2cnccn2)cc1 by nitrile.,Fc1ccc(/C=N/Nc2cnccn2)cc1,halo,nitrile634111630,Please substitute a hydroxyl in the molecule COc1cccc([C@@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)c1 by aldehyde.,COc1cccc([C@@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)c1,hydroxyl,aldehyde63558567,Replace a halo in the molecule Cc1cccc(C)c1OCC(=O)Nc1ccc(N)cc1Br by thiol.,Cc1cccc(C)c1OCC(=O)Nc1ccc(N)cc1Br,halo,thiol63696679,Modify the molecule O=S(=O)(C[C@H]1CCCO1)c1ccccc1Cl by substituting a halo with nitro.,O=S(=O)(C[C@H]1CCCO1)c1ccccc1Cl,halo,nitro63740697,Substitute a nitrile in the molecule N#Cc1cccc(NC(=O)c2cccc(Br)c2)c1 with aldehyde.,N#Cc1cccc(NC(=O)c2cccc(Br)c2)c1,nitrile,aldehyde63879919,Please replace a halo in the molecule C[C@H](Cn1cccn1)Nc1cc(Cl)c(Cl)cc1N with carboxyl.,C[C@H](Cn1cccn1)Nc1cc(Cl)c(Cl)cc1N,halo,carboxyl63975161,Replace a halo in the molecule Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1 by thiol.,Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1,halo,thiol640159048,Substitute a halo in the molecule CCOC(=O)c1cnn([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)c1 with carboxyl.,CCOC(=O)c1cnn([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)c1,halo,carboxyl641110518,Substitute a halo in the molecule Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Cl)c1 with hydroxyl.,Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Cl)c1,halo,hydroxyl64217352,Modify the molecule CN1CCO[C@H](C[NH2+]CC2CC(Cl)C2)C1 by substituting a halo with carboxyl.,CN1CCO[C@H](C[NH2+]CC2CC(Cl)C2)C1,halo,carboxyl6436682,Modify the molecule C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1CCCCC1 by replacing a nitrile by hydroxyl.,C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1CCCCC1,nitrile,hydroxyl644121807,Modify the molecule Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)o1 by replacing a nitrile by hydroxyl.,Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)o1,nitrile,hydroxyl645114916,Substitute a halo in the molecule C[C@H]1C[C@H](C)CN(c2cccc(F)c2C(N)=S)C1 with aldehyde.,C[C@H]1C[C@H](C)CN(c2cccc(F)c2C(N)=S)C1,halo,aldehyde646141591,Please replace a halo in the molecule CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)C1 with carboxyl.,CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)C1,halo,carboxyl647150624,Modify the molecule O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1 by replacing a halo by nitrile.,O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1,halo,nitrile64882491,Replace a nitrile in the molecule Cc1cc(Br)ccc1NS(=O)(=O)c1cccc(C#N)c1 by carboxyl.,Cc1cc(Br)ccc1NS(=O)(=O)c1cccc(C#N)c1,nitrile,carboxyl64981044,Modify the molecule CCCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O by substituting a hydroxyl with aldehyde.,CCCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O,hydroxyl,aldehyde650189732,Replace a nitrile in the molecule Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C[C@H]1CCCO1 by halo.,Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C[C@H]1CCCO1,nitrile,halo65192787,Substitute a halo in the molecule C[NH2+][C@H](CCO)c1cccnc1Cl with carboxyl.,C[NH2+][C@H](CCO)c1cccnc1Cl,halo,carboxyl6526707,Please substitute a hydroxyl in the molecule Cc1ccc([C@@H]2CSCCN2Cc2c(C)nn(CCO)c2C)cc1 by carboxyl.,Cc1ccc([C@@H]2CSCCN2Cc2c(C)nn(CCO)c2C)cc1,hydroxyl,carboxyl653239922,Modify the molecule CC(C)n1nccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 by replacing a halo by thiol.,CC(C)n1nccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1,halo,thiol65478755,Please replace a halo in the molecule O=C(C[NH+]1CC=C(c2ccccc2)CC1)NCCc1ccc(F)cc1 with nitrile.,O=C(C[NH+]1CC=C(c2ccccc2)CC1)NCCc1ccc(F)cc1,halo,nitrile655126055,Replace a halo in the molecule Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 by carboxyl.,Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1,halo,carboxyl65670811,Modify the molecule CCC1(CC)CC[NH+](Cc2ccc(OC)c(Br)c2)C1 by substituting a halo with aldehyde.,CCC1(CC)CC[NH+](Cc2ccc(OC)c(Br)c2)C1,halo,aldehyde65713330,Please replace a halo in the molecule O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc([N+](=O)[O-])cc1 with thiol.,O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc([N+](=O)[O-])cc1,halo,thiol65870613,Modify the molecule [NH3+][C@H](Cc1cccc(F)c1)[C@H]1CSCCO1 by replacing a halo by hydroxyl.,[NH3+][C@H](Cc1cccc(F)c1)[C@H]1CSCCO1,halo,hydroxyl65936403,Modify the molecule CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C by replacing a nitro by halo.,CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C,nitro,halo66015905,Substitute a halo in the molecule CCC[NH2+][C@@H](Cc1ncccc1C)c1ccc(Cl)cc1 with hydroxyl.,CCC[NH2+][C@@H](Cc1ncccc1C)c1ccc(Cl)cc1,halo,hydroxyl661210917,Replace a nitro in the molecule O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 by thiol.,O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,nitro,thiol6627035,Modify the molecule CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 by substituting a hydroxyl with nitrile.,CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1,hydroxyl,nitrile663128220,Modify the molecule CCOc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(OC)cc1 by replacing a halo by carboxyl.,CCOc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(OC)cc1,halo,carboxyl66414351,Modify the molecule O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1 by substituting a halo with carboxyl.,O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1,halo,carboxyl665218771,Modify the molecule CN(CC1CCCC1)S(=O)(=O)c1cccc(F)c1 by replacing a halo by hydroxyl.,CN(CC1CCCC1)S(=O)(=O)c1cccc(F)c1,halo,hydroxyl666191727,Please replace a hydroxyl in the molecule C[C@@H](Cc1ccsc1)NC(=O)N[C@@](C)(CO)C1CCCCC1 with carboxyl.,C[C@@H](Cc1ccsc1)NC(=O)N[C@@](C)(CO)C1CCCCC1,hydroxyl,carboxyl667154253,Modify the molecule Cc1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1F by substituting a halo with carboxyl.,Cc1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1F,halo,carboxyl668138925,Modify the molecule C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 by substituting a halo with nitro.,C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1,halo,nitro669165384,Please substitute a halo in the molecule CC[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(C)c(F)c1 by nitrile.,CC[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(C)c(F)c1,halo,nitrile67027665,Please replace a halo in the molecule CC[C@@H]1CN(Cc2cc(F)cc(C#CC[NH3+])c2)CC[NH+]1C with carboxyl.,CC[C@@H]1CN(Cc2cc(F)cc(C#CC[NH3+])c2)CC[NH+]1C,halo,carboxyl671242302,Please replace a halo in the molecule CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O with nitrile.,CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O,halo,nitrile672219217,Please substitute a halo in the molecule O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 by nitrile.,O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1,halo,nitrile673116417,Substitute a halo in the molecule C[C@@H](Cl)c1nc2cccc(Cl)c2n1C[C@@H]1CN(C)CCO1 with carboxyl.,C[C@@H](Cl)c1nc2cccc(Cl)c2n1C[C@@H]1CN(C)CCO1,halo,carboxyl67423017,Please replace a halo in the molecule CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)nc1[O-] with nitro.,CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)nc1[O-],halo,nitro675228153,Modify the molecule Nc1nc(N2CCCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] by substituting a halo with aldehyde.,Nc1nc(N2CCCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-],halo,aldehyde676222261,Please replace a hydroxyl in the molecule CC(C)Cc1cc(C(=O)N[C@@H](CO)C(N)=O)n(C)n1 with carboxyl.,CC(C)Cc1cc(C(=O)N[C@@H](CO)C(N)=O)n(C)n1,hydroxyl,carboxyl6777575,Modify the molecule COCCNC(=O)NC[C@@H](OC)c1cccc(Cl)c1 by substituting a halo with hydroxyl.,COCCNC(=O)NC[C@@H](OC)c1cccc(Cl)c1,halo,hydroxyl678142478,Modify the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 by replacing a halo by carboxyl.,C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1,halo,carboxyl679248983,Substitute a halo in the molecule CN(C)C(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 with carboxyl.,CN(C)C(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1,halo,carboxyl68010893,Modify the molecule C[C@H]1CCC[C@@](CNC(=O)c2cccc(SCC#N)c2)([NH+](C)C)C1 by substituting a nitrile with carboxyl.,C[C@H]1CCC[C@@](CNC(=O)c2cccc(SCC#N)c2)([NH+](C)C)C1,nitrile,carboxyl681145445,Replace a halo in the molecule C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 by hydroxyl.,C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1,halo,hydroxyl682164902,Modify the molecule COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CO)c1cnn(C)c1 by substituting a hydroxyl with thiol.,COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CO)c1cnn(C)c1,hydroxyl,thiol68310714,Substitute a halo in the molecule CO[C@H](C)C(=O)Oc1ccc(Br)cc1Br with aldehyde.,CO[C@H](C)C(=O)Oc1ccc(Br)cc1Br,halo,aldehyde68456037,Modify the molecule Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)cc1)N2 by substituting a hydroxyl with nitrile.,Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)cc1)N2,hydroxyl,nitrile685209571,Substitute a halo in the molecule O=C(CSc1cccc(Br)c1)c1ccc2c(c1)CCO2 with nitrile.,O=C(CSc1cccc(Br)c1)c1ccc2c(c1)CCO2,halo,nitrile68662237,Modify the molecule COc1cc(C[NH+]2CC[C@@H](NC(=O)c3ccc(C=O)cc3)C2)cc(OC)c1 by substituting a aldehyde with nitrile.,COc1cc(C[NH+]2CC[C@@H](NC(=O)c3ccc(C=O)cc3)C2)cc(OC)c1,aldehyde,nitrile68788685,Substitute a halo in the molecule CC(C)[C@@H]1CCC[NH+](CCCNC(=O)C(F)(F)F)CC1 with aldehyde.,CC(C)[C@@H]1CCC[NH+](CCCNC(=O)C(F)(F)F)CC1,halo,aldehyde688112857,Please substitute a halo in the molecule CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C(F)(F)F)nc1[O-] by nitrile.,CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C(F)(F)F)nc1[O-],halo,nitrile68994881,Please substitute a halo in the molecule ClCC/C=C/Cc1csc2ccccc12 by hydroxyl.,ClCC/C=C/Cc1csc2ccccc12,halo,hydroxyl69055900,Modify the molecule CS(=O)(=O)c1cnn(-c2ccc(Cl)nn2)c1N by replacing a halo by thiol.,CS(=O)(=O)c1cnn(-c2ccc(Cl)nn2)c1N,halo,thiol691133003,Substitute a halo in the molecule Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F with nitrile.,Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F,halo,nitrile69236,Substitute a halo in the molecule O=C(O[C@H]1CCOC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 with nitro.,O=C(O[C@H]1CCOC1)C1(c2ccc(Cl)c(Cl)c2)CCC1,halo,nitro69369394,Replace a hydroxyl in the molecule C[C@@H]1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1O by thiol.,C[C@@H]1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1O,hydroxyl,thiol694161085,Substitute a hydroxyl in the molecule CC(C)[C@H](CO)NC(=O)CCOc1cccc(N)c1 with carboxyl.,CC(C)[C@H](CO)NC(=O)CCOc1cccc(N)c1,hydroxyl,carboxyl69598435,Please replace a halo in the molecule O=[N+]([O-])c1ccc(N2CCN(c3ccccc3Cl)CC2)c(S(=O)(=O)N2CCCC2)c1 with carboxyl.,O=[N+]([O-])c1ccc(N2CCN(c3ccccc3Cl)CC2)c(S(=O)(=O)N2CCCC2)c1,halo,carboxyl696126593,Please substitute a hydroxyl in the molecule OC[C@@H]1CCCC[NH+]1Cc1nc(-c2cccc(Cl)c2)no1 by thiol.,OC[C@@H]1CCCC[NH+]1Cc1nc(-c2cccc(Cl)c2)no1,hydroxyl,thiol697154788,Please replace a halo in the molecule CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OC(F)F with nitro.,CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OC(F)F,halo,nitro69836446,Modify the molecule CCC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CCO1 by replacing a halo by nitro.,CCC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CCO1,halo,nitro69926976,Modify the molecule O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(F)cc1 by replacing a halo by nitrile.,O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(F)cc1,halo,nitrile700183404,Replace a halo in the molecule Cc1cc(F)cc(NC(=O)N[C@@H]2COC[C@H]2C(=O)[O-])c1 by thiol.,Cc1cc(F)cc(NC(=O)N[C@@H]2COC[C@H]2C(=O)[O-])c1,halo,thiol70128589,Modify the molecule O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1 by replacing a halo by nitro.,O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1,halo,nitro702148853,Modify the molecule Fc1ccc(-n2c(=S)[nH]c3cnccc32)c(F)c1 by substituting a halo with nitrile.,Fc1ccc(-n2c(=S)[nH]c3cnccc32)c(F)c1,halo,nitrile703204416,Modify the molecule CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 by replacing a halo by carboxyl.,CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1,halo,carboxyl70461461,Replace a nitrile in the molecule CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n(C)n1 by hydroxyl.,CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n(C)n1,nitrile,hydroxyl70544410,Modify the molecule CC1(C)CC(=O)C2=C(C1)N[C@H]1N=NC(O)=C1[C@H]2C1[NH+]=c2ccccc2=[NH+]1 by replacing a hydroxyl by carboxyl.,CC1(C)CC(=O)C2=C(C1)N[C@H]1N=NC(O)=C1[C@H]2C1[NH+]=c2ccccc2=[NH+]1,hydroxyl,carboxyl706113743,Replace a halo in the molecule Nc1ccc2c(N[C@H]3CCN(c4ncccc4F)C3)ncnc2n1 by hydroxyl.,Nc1ccc2c(N[C@H]3CCN(c4ncccc4F)C3)ncnc2n1,halo,hydroxyl707168152,Please replace a halo in the molecule O=C(OCC1CC1)c1ccc(Cn2cc(Br)cn2)o1 with nitrile.,O=C(OCC1CC1)c1ccc(Cn2cc(Br)cn2)o1,halo,nitrile708232059,Replace a thiol in the molecule CCCc1cc(=O)[nH]c(SC[C@H](CS)C(C)(C)C)n1 by aldehyde.,CCCc1cc(=O)[nH]c(SC[C@H](CS)C(C)(C)C)n1,thiol,aldehyde709164455,Modify the molecule Oc1ccc(C[NH+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1 by replacing a hydroxyl by carboxyl.,Oc1ccc(C[NH+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1,hydroxyl,carboxyl710211822,Please replace a halo in the molecule Cc1c(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cccc1[N+](=O)[O-] with nitrile.,Cc1c(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cccc1[N+](=O)[O-],halo,nitrile711124450,Please replace a nitro in the molecule CCOc1ccc(NCc2ccc(O)c([N+](=O)[O-])c2)c(C)c1 with carboxyl.,CCOc1ccc(NCc2ccc(O)c([N+](=O)[O-])c2)c(C)c1,nitro,carboxyl712195321,Please replace a halo in the molecule COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)c1 with hydroxyl.,COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)c1,halo,hydroxyl713228700,Modify the molecule CCCn1ncnc1C[C@H](O)[C@@](C)(CC)[NH+]1CCCC1 by replacing a hydroxyl by carboxyl.,CCCn1ncnc1C[C@H](O)[C@@](C)(CC)[NH+]1CCCC1,hydroxyl,carboxyl714233155,Please substitute a nitrile in the molecule N#C/C(=C/c1ccc(-n2cccn2)cc1)c1nc(-c2ccncc2)cs1 by hydroxyl.,N#C/C(=C/c1ccc(-n2cccn2)cc1)c1nc(-c2ccncc2)cs1,nitrile,hydroxyl715117006,Modify the molecule COC(=O)c1cc(F)c(C)c(NC(=O)c2ccccc2-c2cncnc2)c1 by substituting a halo with nitro.,COC(=O)c1cc(F)c(C)c(NC(=O)c2ccccc2-c2cncnc2)c1,halo,nitro71684197,Modify the molecule O=C(Cc1cnc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1)Nc1ccc(F)cc1 by substituting a halo with carboxyl.,O=C(Cc1cnc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1)Nc1ccc(F)cc1,halo,carboxyl71743769,Please replace a nitro in the molecule O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 with hydroxyl.,O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1,nitro,hydroxyl718242526,Substitute a halo in the molecule O=C(NCC[NH+]1CCCCC1)c1cc(COc2c(F)cccc2F)on1 with carboxyl.,O=C(NCC[NH+]1CCCCC1)c1cc(COc2c(F)cccc2F)on1,halo,carboxyl719233138,Replace a halo in the molecule COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)C2)cc1Cl by nitro.,COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)C2)cc1Cl,halo,nitro72083434,Please substitute a hydroxyl in the molecule COc1cccc(CN2CCN(c3nc(C)ns3)CC2)c1O by halo.,COc1cccc(CN2CCN(c3nc(C)ns3)CC2)c1O,hydroxyl,halo72145231,Modify the molecule Cc1cc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1F by substituting a halo with carboxyl.,Cc1cc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1F,halo,carboxyl72254571,Please replace a halo in the molecule O=C1CN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c2ccccc2N1 with hydroxyl.,O=C1CN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c2ccccc2N1,halo,hydroxyl723108751,Replace a halo in the molecule CC(=O)c1cccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 by nitrile.,CC(=O)c1cccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1,halo,nitrile724224585,Please substitute a hydroxyl in the molecule CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C(F)(F)F)c1 by carboxyl.,CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C(F)(F)F)c1,hydroxyl,carboxyl725191333,Replace a halo in the molecule CC(=O)N(c1nc(CSc2nncn2C)cs1)c1c(C)cc(C)cc1Cl by carboxyl.,CC(=O)N(c1nc(CSc2nncn2C)cs1)c1c(C)cc(C)cc1Cl,halo,carboxyl726231473,Modify the molecule Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 by replacing a halo by aldehyde.,Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1,halo,aldehyde727122871,Please substitute a nitrile in the molecule N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 by halo.,N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1,nitrile,halo728205153,Modify the molecule O=Cc1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 by replacing a aldehyde by hydroxyl.,O=Cc1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1,aldehyde,hydroxyl72953445,Modify the molecule CCN1C(=O)c2ccc(-c3nc4cc(Cl)ccc4o3)cc2C1=O by substituting a halo with nitro.,CCN1C(=O)c2ccc(-c3nc4cc(Cl)ccc4o3)cc2C1=O,halo,nitro730204459,Modify the molecule C[NH+](CCNCc1cc(C#N)cs1)C1CCCC1 by substituting a nitrile with aldehyde.,C[NH+](CCNCc1cc(C#N)cs1)C1CCCC1,nitrile,aldehyde731246058,Modify the molecule COc1ccccc1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 by substituting a nitro with carboxyl.,COc1ccccc1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)C1,nitro,carboxyl732116750,Please replace a nitrile in the molecule N#CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 with aldehyde.,N#CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1,nitrile,aldehyde733125466,Replace a halo in the molecule C[C@]1(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1(Cl)Cl by nitrile.,C[C@]1(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1(Cl)Cl,halo,nitrile73418602,Modify the molecule CCc1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1 by substituting a halo with thiol.,CCc1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1,halo,thiol735151020,Please substitute a halo in the molecule CCOC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccccc2Cl)n1 by nitro.,CCOC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccccc2Cl)n1,halo,nitro73680000,Substitute a halo in the molecule CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1 with carboxyl.,CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1,halo,carboxyl737174887,Modify the molecule Cc1ccc2nc(/C(C#N)=C/c3cc4ccccc4nc3Cl)nc([O-])c2c1 by substituting a halo with nitro.,Cc1ccc2nc(/C(C#N)=C/c3cc4ccccc4nc3Cl)nc([O-])c2c1,halo,nitro73815304,Substitute a halo in the molecule CCN(C)c1cccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)c1 with thiol.,CCN(C)c1cccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)c1,halo,thiol739142084,Please replace a halo in the molecule Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(F)c2)[N-]Cc2c(C)nn(C)c2C)c1 with nitrile.,Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(F)c2)[N-]Cc2c(C)nn(C)c2C)c1,halo,nitrile740139539,Modify the molecule CC(C)(C)c1csc(NC(=O)c2csc(C#CCO)c2)n1 by substituting a hydroxyl with thiol.,CC(C)(C)c1csc(NC(=O)c2csc(C#CCO)c2)n1,hydroxyl,thiol741220101,Please substitute a halo in the molecule Cc1ccc(S(=O)(=O)/N=C(\[O-])CNC(=O)C(C)(C)C)cc1Cl by thiol.,Cc1ccc(S(=O)(=O)/N=C(\[O-])CNC(=O)C(C)(C)C)cc1Cl,halo,thiol74230018,Modify the molecule [NH3+]CCc1cc(F)c(OC[C@@H]2CCOC2)c(F)c1 by substituting a halo with aldehyde.,[NH3+]CCc1cc(F)c(OC[C@@H]2CCOC2)c(F)c1,halo,aldehyde743189812,Substitute a halo in the molecule COC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1F with aldehyde.,COC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1F,halo,aldehyde744203733,Modify the molecule O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O by substituting a hydroxyl with aldehyde.,O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O,hydroxyl,aldehyde745170757,Please substitute a nitro in the molecule O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 by aldehyde.,O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1,nitro,aldehyde74675775,Please replace a nitro in the molecule Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)o1 with carboxyl.,Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)o1,nitro,carboxyl7472071,Substitute a nitrile in the molecule Cc1cc(C)c([C@H](C/C(=N/NC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1 with nitro.,Cc1cc(C)c([C@H](C/C(=N/NC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1,nitrile,nitro748100289,Modify the molecule Cc1cnc(SCC[C@@H]2CCC[C@]2(O)C[NH3+])nc1 by substituting a hydroxyl with halo.,Cc1cnc(SCC[C@@H]2CCC[C@]2(O)C[NH3+])nc1,hydroxyl,halo749140017,Substitute a halo in the molecule Cc1cc2c(cc1C)O[C@H](C(=O)OCc1c(C)nn(C)c1Cl)C2 with thiol.,Cc1cc2c(cc1C)O[C@H](C(=O)OCc1c(C)nn(C)c1Cl)C2,halo,thiol75049449,Modify the molecule Cc1ccc2oc(C(=O)NC[C@@H](O)c3ccc(F)cc3)cc2c1 by replacing a hydroxyl by thiol.,Cc1ccc2oc(C(=O)NC[C@@H](O)c3ccc(F)cc3)cc2c1,hydroxyl,thiol751173976,Replace a halo in the molecule O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 by nitrile.,O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1,halo,nitrile752164433,Please replace a hydroxyl in the molecule CCOC(=O)CCC(=O)N(C)CC(C)(C)O with nitrile.,CCOC(=O)CCC(=O)N(C)CC(C)(C)O,hydroxyl,nitrile753192428,Please replace a halo in the molecule BrCCc1noc2ccccc12 with aldehyde.,BrCCc1noc2ccccc12,halo,aldehyde754169418,Replace a nitrile in the molecule N#CCc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1 by halo.,N#CCc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1,nitrile,halo755104388,Please replace a halo in the molecule Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F with nitrile.,Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F,halo,nitrile75679151,Replace a halo in the molecule CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(C(=O)OCC)C2 by aldehyde.,CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(C(=O)OCC)C2,halo,aldehyde75760465,Replace a halo in the molecule O=C1CCCN1c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 by aldehyde.,O=C1CCCN1c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1,halo,aldehyde758147774,Modify the molecule Cc1cc(C(=O)NCC[C@@H](O)c2ccccc2)[nH]n1 by replacing a hydroxyl by thiol.,Cc1cc(C(=O)NCC[C@@H](O)c2ccccc2)[nH]n1,hydroxyl,thiol75933642,Please replace a halo in the molecule COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 with carboxyl.,COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1,halo,carboxyl760176046,Substitute a hydroxyl in the molecule Cc1nn(C)c(C)c1CCC(=O)N(C)CC(C)(C)O with nitrile.,Cc1nn(C)c(C)c1CCC(=O)N(C)CC(C)(C)O,hydroxyl,nitrile761175275,Please substitute a halo in the molecule O=C(CSCc1ccc(Cl)s1)N1CCC[C@@H](c2nnc3ccccn23)C1 by carboxyl.,O=C(CSCc1ccc(Cl)s1)N1CCC[C@@H](c2nnc3ccccn23)C1,halo,carboxyl76266920,Replace a halo in the molecule C=CCN(CC=C)c1nncc(-c2ccc(Cl)cc2)n1 by nitro.,C=CCN(CC=C)c1nncc(-c2ccc(Cl)cc2)n1,halo,nitro763145294,Please substitute a halo in the molecule Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1 by carboxyl.,Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1,halo,carboxyl764112295,Please substitute a nitrile in the molecule N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)ccc1F by thiol.,N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)ccc1F,nitrile,thiol765245727,Substitute a halo in the molecule C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1c(F)cccc1F with nitro.,C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1c(F)cccc1F,halo,nitro766219069,Please replace a hydroxyl in the molecule C[C@H]1OCC[C@H]1C(=O)N1CCN(CCO)CC1 with thiol.,C[C@H]1OCC[C@H]1C(=O)N1CCN(CCO)CC1,hydroxyl,thiol76779243,Modify the molecule COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 by substituting a hydroxyl with carboxyl.,COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1,hydroxyl,carboxyl768190537,Substitute a halo in the molecule CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 with nitrile.,CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,halo,nitrile769236495,Please substitute a halo in the molecule Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C by aldehyde.,Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C,halo,aldehyde770155225,Please substitute a halo in the molecule CCc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 by aldehyde.,CCc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1,halo,aldehyde771171364,Modify the molecule Cc1ccnc(NC(=O)COc2ccc(Br)cc2Cl)c1 by replacing a halo by thiol.,Cc1ccnc(NC(=O)COc2ccc(Br)cc2Cl)c1,halo,thiol77260099,Please replace a halo in the molecule O=C([O-])c1ccc(COc2cccc(Cl)c2Cl)o1 with hydroxyl.,O=C([O-])c1ccc(COc2cccc(Cl)c2Cl)o1,halo,hydroxyl773156030,Please replace a halo in the molecule CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F with thiol.,CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F,halo,thiol77476380,Modify the molecule N#Cc1ccc(C(=O)Cc2ccccc2Br)cc1 by replacing a halo by thiol.,N#Cc1ccc(C(=O)Cc2ccccc2Br)cc1,halo,thiol775198781,Modify the molecule Cc1cccc(C=O)c1OS(=O)(=O)c1ccc(Cl)cc1C#N by replacing a aldehyde by nitrile.,Cc1cccc(C=O)c1OS(=O)(=O)c1ccc(Cl)cc1C#N,aldehyde,nitrile776184834,Please replace a hydroxyl in the molecule COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1=O with thiol.,COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1=O,hydroxyl,thiol777195829,Modify the molecule O=C1[C@H]([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@H](O)N[C@H](S)N1Cc1ccc(F)cc1 by replacing a halo by thiol.,O=C1[C@H]([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@H](O)N[C@H](S)N1Cc1ccc(F)cc1,halo,thiol77881108,Replace a halo in the molecule COc1ccc(F)c(NC(=O)c2cccc(OC)c2F)c1 by carboxyl.,COc1ccc(F)c(NC(=O)c2cccc(OC)c2F)c1,halo,carboxyl77977518,Substitute a halo in the molecule C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F with hydroxyl.,C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F,halo,hydroxyl780147859,Substitute a halo in the molecule O=C(c1cc(-c2ccncc2)on1)N1CC=C(c2ccccc2Cl)CC1 with nitrile.,O=C(c1cc(-c2ccncc2)on1)N1CC=C(c2ccccc2Cl)CC1,halo,nitrile78113976,Please replace a halo in the molecule Cc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cnn1C with aldehyde.,Cc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cnn1C,halo,aldehyde782225527,Please replace a halo in the molecule C[C@H](c1ccc(F)cc1)[NH+](C)CC(=O)NNC(=O)c1ccccc1Cl with hydroxyl.,C[C@H](c1ccc(F)cc1)[NH+](C)CC(=O)NNC(=O)c1ccccc1Cl,halo,hydroxyl783216146,Substitute a nitro in the molecule COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1O with aldehyde.,COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1O,nitro,aldehyde784128819,Please substitute a halo in the molecule C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[C@H](C[NH3+])O1 by hydroxyl.,C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[C@H](C[NH3+])O1,halo,hydroxyl785242740,Modify the molecule COc1cc(CNC[C@@H](C)c2cccs2)cc(Br)c1O by substituting a halo with nitrile.,COc1cc(CNC[C@@H](C)c2cccs2)cc(Br)c1O,halo,nitrile78613168,Replace a hydroxyl in the molecule CCC[C@@H]([NH3+])C(=O)Nc1cc(CC)ccc1O by nitro.,CCC[C@@H]([NH3+])C(=O)Nc1cc(CC)ccc1O,hydroxyl,nitro78777092,Modify the molecule COc1ccc2nc(Nc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])sc2c1 by substituting a nitro with thiol.,COc1ccc2nc(Nc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])sc2c1,nitro,thiol78836948,Modify the molecule COc1cccc([C@@H]2NC(=O)C(C#N)=C([S-])N2c2ccccc2C)c1 by substituting a nitrile with aldehyde.,COc1cccc([C@@H]2NC(=O)C(C#N)=C([S-])N2c2ccccc2C)c1,nitrile,aldehyde78962577,Modify the molecule Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc4c(c3)OCO4)nc12 by replacing a nitro by carboxyl.,Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc4c(c3)OCO4)nc12,nitro,carboxyl79093498,Modify the molecule COCC(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 by replacing a halo by carboxyl.,COCC(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1,halo,carboxyl79193301,Replace a halo in the molecule COC(=O)C(C(=O)OC)=C(F)SCC(C)=O by thiol.,COC(=O)C(C(=O)OC)=C(F)SCC(C)=O,halo,thiol79269588,Substitute a halo in the molecule Cc1ccc(NC(=O)Cn2ccccc2=O)c(Br)c1 with hydroxyl.,Cc1ccc(NC(=O)Cn2ccccc2=O)c(Br)c1,halo,hydroxyl793208887,Modify the molecule [NH3+][C@H]1CCC[C@@H](Oc2ncccc2F)C1 by substituting a halo with carboxyl.,[NH3+][C@H]1CCC[C@@H](Oc2ncccc2F)C1,halo,carboxyl79485566,Modify the molecule N#Cc1cccc([C@@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)c1 by substituting a nitrile with aldehyde.,N#Cc1cccc([C@@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)c1,nitrile,aldehyde79538340,Modify the molecule O=C(Cc1ccc(F)c(F)c1)Nc1cnn(C[C@@H]2CCCO2)c1 by substituting a halo with nitro.,O=C(Cc1ccc(F)c(F)c1)Nc1cnn(C[C@@H]2CCCO2)c1,halo,nitro796105817,Please replace a nitro in the molecule COc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-] with hydroxyl.,COc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-],nitro,hydroxyl79733745,Modify the molecule O=C(COC[C@H]1CCCCO1)N1CCCN(c2ccc(F)cc2)CC1 by replacing a halo by aldehyde.,O=C(COC[C@H]1CCCCO1)N1CCCN(c2ccc(F)cc2)CC1,halo,aldehyde798157443,Modify the molecule O=C(CCC(F)(F)F)NCC1CCN(C(=O)C(F)(F)F)CC1 by replacing a halo by carboxyl.,O=C(CCC(F)(F)F)NCC1CCN(C(=O)C(F)(F)F)CC1,halo,carboxyl79954821,Please replace a halo in the molecule C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C with carboxyl.,C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C,halo,carboxyl80059829,Replace a halo in the molecule CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 by nitro.,CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1,halo,nitro801151650,Modify the molecule C[C@H]1C[NH+]2CCCC[C@@H]2CN1CCC[C@](C)([NH3+])CO by substituting a hydroxyl with nitro.,C[C@H]1C[NH+]2CCCC[C@@H]2CN1CCC[C@](C)([NH3+])CO,hydroxyl,nitro802243316,Substitute a hydroxyl in the molecule NC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccccc1F with nitro.,NC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccccc1F,hydroxyl,nitro803153285,Modify the molecule C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 by replacing a hydroxyl by thiol.,C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1,hydroxyl,thiol804163117,Please substitute a halo in the molecule CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 by thiol.,CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1,halo,thiol805237233,Modify the molecule O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 by replacing a halo by carboxyl.,O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1,halo,carboxyl806198894,Modify the molecule O=C(C[NH+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 by substituting a halo with thiol.,O=C(C[NH+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1,halo,thiol80760914,Please substitute a hydroxyl in the molecule C=CCN(CCO)C(=O)Nc1cc(-c2ncco2)ccc1C by thiol.,C=CCN(CCO)C(=O)Nc1cc(-c2ncco2)ccc1C,hydroxyl,thiol808243562,Modify the molecule C[C@@]1(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)CC1(Cl)Cl by substituting a halo with carboxyl.,C[C@@]1(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)CC1(Cl)Cl,halo,carboxyl80973701,Modify the molecule CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 by replacing a nitrile by aldehyde.,CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(C3CC3)n2)CC1,nitrile,aldehyde81031554,Please replace a halo in the molecule CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1ccc(C)cc12 with aldehyde.,CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1ccc(C)cc12,halo,aldehyde811243705,Substitute a halo in the molecule O=C(CCc1cc(Cl)cs1)N1CCC[C@H]1c1ccccc1 with nitro.,O=C(CCc1cc(Cl)cs1)N1CCC[C@H]1c1ccccc1,halo,nitro812135368,Substitute a halo in the molecule CC[C@H]1CCC[C@H](n2cc(C)c(I)n2)C1 with nitrile.,CC[C@H]1CCC[C@H](n2cc(C)c(I)n2)C1,halo,nitrile813194016,Substitute a halo in the molecule COc1ccc([C@H](Cl)[C@]2(C)CCCO2)c(Br)c1 with aldehyde.,COc1ccc([C@H](Cl)[C@]2(C)CCCO2)c(Br)c1,halo,aldehyde814148187,Please replace a halo in the molecule COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)c1ccc(F)cc1 with nitrile.,COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)c1ccc(F)cc1,halo,nitrile815172876,Modify the molecule CCCn1ccnc1-c1nc(Cl)ncc1F by substituting a halo with hydroxyl.,CCCn1ccnc1-c1nc(Cl)ncc1F,halo,hydroxyl816120768,Modify the molecule CC(C)(C)Oc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1 by substituting a nitrile with hydroxyl.,CC(C)(C)Oc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1,nitrile,hydroxyl817214121,Modify the molecule Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O by substituting a halo with nitrile.,Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O,halo,nitrile81817882,Replace a halo in the molecule C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)C[C@@H](C)O1 by aldehyde.,C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)C[C@@H](C)O1,halo,aldehyde819130775,Substitute a halo in the molecule C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 with hydroxyl.,C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,halo,hydroxyl820218420,Modify the molecule CN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2cccc(F)c12 by substituting a halo with thiol.,CN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2cccc(F)c12,halo,thiol821116951,Modify the molecule CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12 by substituting a nitro with hydroxyl.,CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12,nitro,hydroxyl822227901,Please replace a halo in the molecule O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)[N-]/N=C/c2ccccc2Cl)c1 with hydroxyl.,O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)[N-]/N=C/c2ccccc2Cl)c1,halo,hydroxyl82317488,Please replace a halo in the molecule CC(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1 with nitrile.,CC(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1,halo,nitrile824173624,Please substitute a halo in the molecule O=S(=O)(c1ccccc1Br)N1CCN(Cc2csc3ccccc23)CC1 by nitrile.,O=S(=O)(c1ccccc1Br)N1CCN(Cc2csc3ccccc23)CC1,halo,nitrile825137312,Replace a hydroxyl in the molecule COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1O by thiol.,COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1O,hydroxyl,thiol826243470,Replace a halo in the molecule C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)CC[C@H]1[NH3+] by nitro.,C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)CC[C@H]1[NH3+],halo,nitro827201255,Modify the molecule [NH3+]C[C@@]1([C@]2(O)CCC[C@@H](C3CC3)C2)CCOC1 by replacing a hydroxyl by thiol.,[NH3+]C[C@@]1([C@]2(O)CCC[C@@H](C3CC3)C2)CCOC1,hydroxyl,thiol828185203,Please substitute a halo in the molecule C[C@@H]([C@@H](C)O)n1cc(Br)cc([N+](=O)[O-])c1=O by hydroxyl.,C[C@@H]([C@@H](C)O)n1cc(Br)cc([N+](=O)[O-])c1=O,halo,hydroxyl829149333,Substitute a halo in the molecule Cc1nnsc1C(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 with carboxyl.,Cc1nnsc1C(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2,halo,carboxyl830137907,Please substitute a nitro in the molecule Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)C(C)C by nitrile.,Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)C(C)C,nitro,nitrile83194237,Please substitute a halo in the molecule O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1 by nitro.,O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1,halo,nitro832135302,Modify the molecule CC[C@H](Sc1ccc2nnc(C(F)F)n2n1)c1ccccc1 by replacing a halo by nitro.,CC[C@H](Sc1ccc2nnc(C(F)F)n2n1)c1ccccc1,halo,nitro833248309,Substitute a halo in the molecule Cn1ncc2c(S[C@@H]3CCN(c4ccccc4F)C3=O)ncnc21 with thiol.,Cn1ncc2c(S[C@@H]3CCN(c4ccccc4F)C3=O)ncnc21,halo,thiol83415128,Please replace a hydroxyl in the molecule CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 with nitro.,CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1,hydroxyl,nitro835689,Please replace a nitrile in the molecule C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C#N with nitro.,C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C#N,nitrile,nitro83635774,Substitute a nitro in the molecule C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)Cc1ccccc1N1CCCCC1 with thiol.,C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)Cc1ccccc1N1CCCCC1,nitro,thiol837205644,Replace a halo in the molecule CCn1ncc(Cl)c1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 by thiol.,CCn1ncc(Cl)c1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1,halo,thiol838197575,Modify the molecule CCc1nn(C)cc1C(=O)NC[C@H](CC)CCO by substituting a hydroxyl with carboxyl.,CCc1nn(C)cc1C(=O)NC[C@H](CC)CCO,hydroxyl,carboxyl83994173,Modify the molecule C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H](C)O1 by replacing a halo by nitrile.,C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H](C)O1,halo,nitrile840202021,Please substitute a halo in the molecule CSc1ccc(Cl)cc1NC(=O)NCCc1cccc(F)c1 by hydroxyl.,CSc1ccc(Cl)cc1NC(=O)NCCc1cccc(F)c1,halo,hydroxyl84188614,Substitute a nitro in the molecule O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1 with halo.,O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1,nitro,halo84296190,Please replace a halo in the molecule C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@@H](C)O1 with nitrile.,C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@@H](C)O1,halo,nitrile843127950,Please replace a halo in the molecule COc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1OC(F)F with aldehyde.,COc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1OC(F)F,halo,aldehyde844107116,Replace a halo in the molecule CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1 by aldehyde.,CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1,halo,aldehyde845124822,Please substitute a halo in the molecule Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)no1 by thiol.,Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)no1,halo,thiol84630197,Please replace a halo in the molecule CC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccc(F)cn2)no1 with thiol.,CC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccc(F)cn2)no1,halo,thiol84723060,Modify the molecule O=C(NCCc1cccc(O)c1)NC[C@]1(O)CCCc2ccccc21 by replacing a hydroxyl by carboxyl.,O=C(NCCc1cccc(O)c1)NC[C@]1(O)CCCc2ccccc21,hydroxyl,carboxyl848124796,Modify the molecule C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1 by substituting a nitro with hydroxyl.,C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1,nitro,hydroxyl8495373,Modify the molecule SCC1(COC/C=C/c2ccccc2)CCC1 by substituting a thiol with nitro.,SCC1(COC/C=C/c2ccccc2)CCC1,thiol,nitro85069802,Substitute a nitro in the molecule O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1 with aldehyde.,O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1,nitro,aldehyde851106391,Please replace a halo in the molecule COC1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 with nitro.,COC1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1,halo,nitro852166872,Modify the molecule CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H](C)n1cc[nH+]c1C(C)C by replacing a halo by nitrile.,CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H](C)n1cc[nH+]c1C(C)C,halo,nitrile85377734,Modify the molecule O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 by substituting a halo with aldehyde.,O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1,halo,aldehyde854202025,Substitute a nitrile in the molecule COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1F with aldehyde.,COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1F,nitrile,aldehyde85534028,Modify the molecule CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2F)CC1 by substituting a halo with nitrile.,CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2F)CC1,halo,nitrile85687173,Replace a halo in the molecule Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1 by aldehyde.,Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1,halo,aldehyde857119205,Modify the molecule Cc1nc2sccc2c(=O)n1NC(=O)c1cccc(C(F)(F)F)c1 by substituting a halo with thiol.,Cc1nc2sccc2c(=O)n1NC(=O)c1cccc(C(F)(F)F)c1,halo,thiol858162653,Replace a halo in the molecule NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 by nitro.,NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1,halo,nitro859105626,Modify the molecule CCc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl by substituting a halo with hydroxyl.,CCc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl,halo,hydroxyl86063742,Substitute a halo in the molecule O=C(NCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F with thiol.,O=C(NCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F,halo,thiol86190268,Please replace a halo in the molecule CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2 with nitrile.,CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2,halo,nitrile862145652,Substitute a halo in the molecule C[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(C#N)cc(Cl)n1 with carboxyl.,C[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(C#N)cc(Cl)n1,halo,carboxyl863100750,Replace a halo in the molecule CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)C(N)=O by nitrile.,CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)C(N)=O,halo,nitrile86446113,Modify the molecule O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)c1ccccc1 by replacing a halo by nitro.,O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)c1ccccc1,halo,nitro865230849,Modify the molecule CC(=O)Nc1cccc2c1CCN(CN1C(=O)C(=O)c3cccc(F)c31)C2 by replacing a halo by nitro.,CC(=O)Nc1cccc2c1CCN(CN1C(=O)C(=O)c3cccc(F)c31)C2,halo,nitro866154892,Modify the molecule Nc1c(C(=O)NNC(=O)c2ccco2)cnc2ccc(Cl)cc12 by replacing a halo by aldehyde.,Nc1c(C(=O)NNC(=O)c2ccco2)cnc2ccc(Cl)cc12,halo,aldehyde867145604,Modify the molecule CC1(C)CN(C(=O)C/C(N)=N/O)CCO1 by replacing a hydroxyl by thiol.,CC1(C)CN(C(=O)C/C(N)=N/O)CCO1,hydroxyl,thiol868219341,Modify the molecule COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1 by substituting a hydroxyl with aldehyde.,COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1,hydroxyl,aldehyde86978453,Modify the molecule CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccc(C(C)C)cc1 by substituting a hydroxyl with halo.,CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccc(C(C)C)cc1,hydroxyl,halo870190585,Modify the molecule COc1sc(C[NH+](C)CC(=O)Nc2cc(C)ccn2)cc1Br by replacing a halo by nitro.,COc1sc(C[NH+](C)CC(=O)Nc2cc(C)ccn2)cc1Br,halo,nitro871120950,Replace a nitrile in the molecule COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1O by aldehyde.,COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1O,nitrile,aldehyde872172123,Replace a halo in the molecule CCn1c(N/N=C/c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C by nitro.,CCn1c(N/N=C/c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C,halo,nitro873217289,Substitute a hydroxyl in the molecule CC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C with nitrile.,CC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,hydroxyl,nitrile874137122,Replace a hydroxyl in the molecule CC(C)N(CCO)c1ncnc2c1CCCCC2 by aldehyde.,CC(C)N(CCO)c1ncnc2c1CCCCC2,hydroxyl,aldehyde875185290,Modify the molecule Cc1ccnc2nc(C(=O)N3CCC[NH+](Cc4cn5cc(Cl)ccc5n4)CC3)nn12 by substituting a halo with thiol.,Cc1ccnc2nc(C(=O)N3CCC[NH+](Cc4cn5cc(Cl)ccc5n4)CC3)nn12,halo,thiol876205150,Modify the molecule O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccc(Cl)cc1 by replacing a halo by hydroxyl.,O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccc(Cl)cc1,halo,hydroxyl87780944,Modify the molecule COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1[N+](=O)[O-] by replacing a nitro by halo.,COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1[N+](=O)[O-],nitro,halo87813776,Please substitute a halo in the molecule CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1 by carboxyl.,CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1,halo,carboxyl8795441,Substitute a halo in the molecule CCNC(=O)c1ccc(Cl)nn1 with aldehyde.,CCNC(=O)c1ccc(Cl)nn1,halo,aldehyde880104781,Please replace a hydroxyl in the molecule O[C@H]1[C@@H]2CC[C@@](O)(N2)[C@H](O)[C@@H]1O with thiol.,O[C@H]1[C@@H]2CC[C@@](O)(N2)[C@H](O)[C@@H]1O,hydroxyl,thiol881101293,Modify the molecule COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1F by substituting a halo with thiol.,COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1F,halo,thiol882126970,Modify the molecule Cc1cc(Br)c(C(=O)[C@]2(C)CCCO2)s1 by replacing a halo by nitro.,Cc1cc(Br)c(C(=O)[C@]2(C)CCCO2)s1,halo,nitro8832950,Please replace a hydroxyl in the molecule CCOCCCC(=O)N1CCN(CCO)CC1 with nitro.,CCOCCCC(=O)N1CCN(CCO)CC1,hydroxyl,nitro88435923,Substitute a halo in the molecule O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1 with nitrile.,O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1,halo,nitrile885219677,Replace a halo in the molecule O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1 by carboxyl.,O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1,halo,carboxyl886143954,Please replace a nitro in the molecule O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21 with nitrile.,O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21,nitro,nitrile887136605,Substitute a halo in the molecule CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@H]1C with hydroxyl.,CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@H]1C,halo,hydroxyl88894536,Modify the molecule O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Br)cn1 by replacing a halo by carboxyl.,O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Br)cn1,halo,carboxyl88911119,Please replace a halo in the molecule C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H](C)O1 with carboxyl.,C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H](C)O1,halo,carboxyl890243458,Modify the molecule Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=N/c1sc2c(c1C#N)CCCC2 by replacing a hydroxyl by nitrile.,Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=N/c1sc2c(c1C#N)CCCC2,hydroxyl,nitrile891224130,Replace a halo in the molecule COc1ccc(C)nc1NC(=O)CCCc1cc(F)ccc1F by hydroxyl.,COc1ccc(C)nc1NC(=O)CCCc1cc(F)ccc1F,halo,hydroxyl89276279,Modify the molecule Cc1[nH]c2ccccc2c1C(=O)NCCc1c(F)cccc1F by replacing a halo by carboxyl.,Cc1[nH]c2ccccc2c1C(=O)NCCc1c(F)cccc1F,halo,carboxyl893229011,Modify the molecule COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)=O)cc1 by replacing a nitrile by carboxyl.,COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)=O)cc1,nitrile,carboxyl894203324,Modify the molecule C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccsc1 by replacing a hydroxyl by nitrile.,C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccsc1,hydroxyl,nitrile895128324,Substitute a halo in the molecule C[C@@H]1C[C@@H]([NH3+])CN(c2cccc(F)c2C(N)=O)C1 with nitrile.,C[C@@H]1C[C@@H]([NH3+])CN(c2cccc(F)c2C(N)=O)C1,halo,nitrile89620928,Please replace a halo in the molecule C[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)Oc1ccccc1F with carboxyl.,C[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)Oc1ccccc1F,halo,carboxyl89770165,Modify the molecule O=S(=O)(/N=C(\[O-])c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1 by replacing a halo by nitro.,O=S(=O)(/N=C(\[O-])c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1,halo,nitro8986684,Modify the molecule O=C(NCc1ccc(F)c(Cl)c1)NC[C@@H]1CCCN(c2ncccn2)C1 by replacing a halo by aldehyde.,O=C(NCc1ccc(F)c(Cl)c1)NC[C@@H]1CCCN(c2ncccn2)C1,halo,aldehyde89932282,Modify the molecule Cn1c(=O)c2ccccc2n2c(CNc3cccc(Br)c3)nnc12 by substituting a halo with aldehyde.,Cn1c(=O)c2ccccc2n2c(CNc3cccc(Br)c3)nnc12,halo,aldehyde90073611,Please substitute a halo in the molecule Cc1nc2cc(Cl)ccc2cc1N by nitrile.,Cc1nc2cc(Cl)ccc2cc1N,halo,nitrile901234832,Please substitute a nitro in the molecule O=[N+]([O-])c1c(NCCc2cccc3cccnc23)ccc2ncccc12 by thiol.,O=[N+]([O-])c1c(NCCc2cccc3cccnc23)ccc2ncccc12,nitro,thiol902176024,Modify the molecule C[C@H](Nc1cccc2ncccc12)c1ccc(Cl)s1 by replacing a halo by nitro.,C[C@H](Nc1cccc2ncccc12)c1ccc(Cl)s1,halo,nitro903217298,Substitute a halo in the molecule Cc1cc(F)ccc1-c1cnc(Br)cn1 with hydroxyl.,Cc1cc(F)ccc1-c1cnc(Br)cn1,halo,hydroxyl90494210,Modify the molecule CCOC(=O)C1(C)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 by replacing a halo by hydroxyl.,CCOC(=O)C1(C)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1,halo,hydroxyl905208572,Please substitute a hydroxyl in the molecule CN1CCO[C@@H](CNC(=O)c2ccc(C#CCCO)s2)C1 by nitro.,CN1CCO[C@@H](CNC(=O)c2ccc(C#CCCO)s2)C1,hydroxyl,nitro906234636,Please replace a nitro in the molecule C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]1C with thiol.,C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]1C,nitro,thiol90731450,Modify the molecule CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 by substituting a halo with hydroxyl.,CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,halo,hydroxyl9084039,Please substitute a halo in the molecule O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F by hydroxyl.,O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F,halo,hydroxyl909105313,Replace a halo in the molecule COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 by nitrile.,COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1,halo,nitrile910118111,Substitute a halo in the molecule Brc1ccccc1[C@@H]1CN(Cc2ccon2)CCO1 with nitrile.,Brc1ccccc1[C@@H]1CN(Cc2ccon2)CCO1,halo,nitrile911115394,Please substitute a halo in the molecule Cc1ccc([C@@H](C)N[C@H]2CC[NH+](C3CC3)C2)cc1F by aldehyde.,Cc1ccc([C@@H](C)N[C@H]2CC[NH+](C3CC3)C2)cc1F,halo,aldehyde91226613,Modify the molecule Cc1cc(C)c(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c(C)c1 by replacing a hydroxyl by nitrile.,Cc1cc(C)c(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c(C)c1,hydroxyl,nitrile91360353,Modify the molecule CCCn1ncnc1C[C@@H]([NH2+]CC)c1c(F)cccc1F by substituting a halo with aldehyde.,CCCn1ncnc1C[C@@H]([NH2+]CC)c1c(F)cccc1F,halo,aldehyde91446654,Replace a halo in the molecule COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 by carboxyl.,COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1,halo,carboxyl915102946,Replace a hydroxyl in the molecule CC(C)[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 by aldehyde.,CC(C)[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1,hydroxyl,aldehyde91699788,Modify the molecule O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc2sccc2c1 by substituting a hydroxyl with halo.,O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc2sccc2c1,hydroxyl,halo91742914,Modify the molecule COc1cccc([C@@H](CO)NC(=O)Cc2c(C)nn(C(F)F)c2C)c1 by replacing a hydroxyl by thiol.,COc1cccc([C@@H](CO)NC(=O)Cc2c(C)nn(C(F)F)c2C)c1,hydroxyl,thiol918171519,Please substitute a hydroxyl in the molecule O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCN(CCO)CC1 by thiol.,O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCN(CCO)CC1,hydroxyl,thiol91936277,Please replace a halo in the molecule Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)cc1F with hydroxyl.,Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)cc1F,halo,hydroxyl920146332,Modify the molecule [NH3+][C@@H](CCc1ccccc1)Cc1ccc(O)cc1 by substituting a hydroxyl with halo.,[NH3+][C@@H](CCc1ccccc1)Cc1ccc(O)cc1,hydroxyl,halo921203410,Substitute a nitrile in the molecule N#Cc1ccc(CNc2ccccc2[NH+]2CCC(O)CC2)cc1 with hydroxyl.,N#Cc1ccc(CNc2ccccc2[NH+]2CCC(O)CC2)cc1,nitrile,hydroxyl922142155,Modify the molecule Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)n1 by replacing a halo by thiol.,Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)n1,halo,thiol923119071,Please replace a halo in the molecule CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 with nitro.,CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1,halo,nitro924120778,Please substitute a nitrile in the molecule C[C@H](C#N)[C@@]1(O)CCCC1(C)C by halo.,C[C@H](C#N)[C@@]1(O)CCCC1(C)C,nitrile,halo92551927,Modify the molecule Nc1cc(C(=O)[O-])c(-c2ccc(F)cc2O)cn1 by replacing a hydroxyl by carboxyl.,Nc1cc(C(=O)[O-])c(-c2ccc(F)cc2O)cn1,hydroxyl,carboxyl926241798,Please substitute a halo in the molecule CCC[C@@H](C[NH3+])[C@H](O)c1ccc(C)cc1F by carboxyl.,CCC[C@@H](C[NH3+])[C@H](O)c1ccc(C)cc1F,halo,carboxyl927189305,Replace a halo in the molecule N/C(CC(=O)Nc1ccc(Cl)cc1)=N\OC(=O)c1ccc(C(F)(F)F)cc1 by thiol.,N/C(CC(=O)Nc1ccc(Cl)cc1)=N\OC(=O)c1ccc(C(F)(F)F)cc1,halo,thiol92845858,Replace a nitro in the molecule Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H]1C=CCC1 by aldehyde.,Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H]1C=CCC1,nitro,aldehyde929213823,Modify the molecule CC[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1F by substituting a halo with aldehyde.,CC[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1F,halo,aldehyde93064621,Please replace a halo in the molecule Fc1ccc([C@@H](Cl)[C@@H]2COc3ccccc3O2)cc1Br with thiol.,Fc1ccc([C@@H](Cl)[C@@H]2COc3ccccc3O2)cc1Br,halo,thiol93113834,Modify the molecule COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1 by replacing a halo by carboxyl.,COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1,halo,carboxyl932248878,Please replace a halo in the molecule CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F with nitrile.,CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F,halo,nitrile93341515,Substitute a halo in the molecule COc1ccc(F)c(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 with nitro.,COc1ccc(F)c(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1,halo,nitro934914,Substitute a halo in the molecule Cn1cnn(C[NH+](Cc2ccc(F)cc2)C2CC2)c1=S with thiol.,Cn1cnn(C[NH+](Cc2ccc(F)cc2)C2CC2)c1=S,halo,thiol935184575,Substitute a hydroxyl in the molecule CCCCOc1cccc(NC(=O)C(=O)NC2CCC(O)CC2)c1 with nitrile.,CCCCOc1cccc(NC(=O)C(=O)NC2CCC(O)CC2)c1,hydroxyl,nitrile93625241,Please substitute a halo in the molecule CN(CCc1ccncc1)c1cnn(C)c(=O)c1Br by hydroxyl.,CN(CCc1ccncc1)c1cnn(C)c(=O)c1Br,halo,hydroxyl937134166,Please substitute a hydroxyl in the molecule CC(C)(C)OC(=O)N1CC[C@H]([NH+]2C[C@H](O)[C@H](O)C2)C1 by carboxyl.,CC(C)(C)OC(=O)N1CC[C@H]([NH+]2C[C@H](O)[C@H](O)C2)C1,hydroxyl,carboxyl93841451,Modify the molecule CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(F)cc3)CCN2C1=O by substituting a halo with nitrile.,CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(F)cc3)CCN2C1=O,halo,nitrile9391158,Please substitute a hydroxyl in the molecule CC(C)[NH+]1CCC(N2CCN(CC3=c4ccccc4=[NH+]C3)C[C@@H]2CCO)CC1 by nitro.,CC(C)[NH+]1CCC(N2CCN(CC3=c4ccccc4=[NH+]C3)C[C@@H]2CCO)CC1,hydroxyl,nitro94091469,Please replace a halo in the molecule C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O with nitro.,C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O,halo,nitro94156732,Modify the molecule O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 by substituting a hydroxyl with nitro.,O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1,hydroxyl,nitro942201673,Modify the molecule O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1)N[C@@H]1CCCc2ccccc21 by replacing a hydroxyl by halo.,O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1)N[C@@H]1CCCc2ccccc21,hydroxyl,halo943108575,Modify the molecule CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1c1ccc(F)cc1 by substituting a halo with hydroxyl.,CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1c1ccc(F)cc1,halo,hydroxyl94437960,Substitute a halo in the molecule CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 with aldehyde.,CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1,halo,aldehyde945244580,Replace a halo in the molecule Brc1cnc2n1CCCC2 by hydroxyl.,Brc1cnc2n1CCCC2,halo,hydroxyl946116280,Substitute a halo in the molecule CCCCCNc1cc(-n2cnnn2)ccc1F with nitro.,CCCCCNc1cc(-n2cnnn2)ccc1F,halo,nitro947243956,Please replace a halo in the molecule Fc1cccc2[nH]c(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)nc12 with thiol.,Fc1cccc2[nH]c(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)nc12,halo,thiol948233051,Please substitute a halo in the molecule COc1ccccc1NC(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(Cl)c1 by carboxyl.,COc1ccccc1NC(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(Cl)c1,halo,carboxyl94912956,Replace a hydroxyl in the molecule Cc1cc2ncn(C[C@H](O)COc3ccc(C(C)C)cc3)c2cc1C by aldehyde.,Cc1cc2ncn(C[C@H](O)COc3ccc(C(C)C)cc3)c2cc1C,hydroxyl,aldehyde950179410,Replace a halo in the molecule C[S@](=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1 by carboxyl.,C[S@](=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1,halo,carboxyl951134167,Please substitute a halo in the molecule C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccc(F)c(F)c1 by aldehyde.,C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccc(F)c(F)c1,halo,aldehyde95231377,Please replace a hydroxyl in the molecule O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCO with halo.,O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCO,hydroxyl,halo95396267,Please substitute a nitro in the molecule CCC[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])c(N)c2)CC1 by hydroxyl.,CCC[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])c(N)c2)CC1,nitro,hydroxyl954241685,Modify the molecule CCCCN(CCCO)c1ncc(C)c(C)n1 by substituting a hydroxyl with nitro.,CCCCN(CCCO)c1ncc(C)c(C)n1,hydroxyl,nitro955202224,Modify the molecule O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 by substituting a halo with nitrile.,O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1,halo,nitrile956126634,Please substitute a hydroxyl in the molecule C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCCC2 by halo.,C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCCC2,hydroxyl,halo95746291,Please replace a hydroxyl in the molecule COCCN1CCC[C@](O)(CN2CCN(c3[nH+]cccc3C)CC2)C1=O with halo.,COCCN1CCC[C@](O)(CN2CCN(c3[nH+]cccc3C)CC2)C1=O,hydroxyl,halo958117468,Modify the molecule CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N by substituting a halo with thiol.,CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N,halo,thiol959216294,Modify the molecule O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc2c(c1)OCO2 by substituting a hydroxyl with nitrile.,O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc2c(c1)OCO2,hydroxyl,nitrile96051731,Please replace a halo in the molecule COc1cc(NC(=O)c2cc3c(F)cccc3s2)c(OC)cc1Cl with thiol.,COc1cc(NC(=O)c2cc3c(F)cccc3s2)c(OC)cc1Cl,halo,thiol96198424,Replace a nitrile in the molecule Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 by aldehyde.,Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1,nitrile,aldehyde96253515,Please replace a halo in the molecule CCN1CCO[C@@H](COc2ccc(Br)c(F)c2)C1 with carboxyl.,CCN1CCO[C@@H](COc2ccc(Br)c(F)c2)C1,halo,carboxyl9638127,Modify the molecule COc1cc(CNc2ccc(C)cc2OC)c([N+](=O)[O-])cc1O by replacing a hydroxyl by aldehyde.,COc1cc(CNc2ccc(C)cc2OC)c([N+](=O)[O-])cc1O,hydroxyl,aldehyde96490652,Please replace a halo in the molecule CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCc3ccc(F)cc32)C1 with carboxyl.,CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCc3ccc(F)cc32)C1,halo,carboxyl96554343,Please substitute a halo in the molecule CCC(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1F)N1CCOCC1 by nitro.,CCC(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1F)N1CCOCC1,halo,nitro966128374,Modify the molecule COc1ccc(OC)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1 by replacing a hydroxyl by nitro.,COc1ccc(OC)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1,hydroxyl,nitro96726348,Modify the molecule CCc1cccc(NC(=O)c2cc(Br)ccc2F)c1 by substituting a halo with nitrile.,CCc1cccc(NC(=O)c2cc(Br)ccc2F)c1,halo,nitrile968189082,Please substitute a hydroxyl in the molecule Cc1ccc(C(=O)NO[C@H]2CCCCO2)c(O)c1 by halo.,Cc1ccc(C(=O)NO[C@H]2CCCCO2)c(O)c1,hydroxyl,halo96958407,Please substitute a nitro in the molecule Cc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 by carboxyl.,Cc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1,nitro,carboxyl970169068,Modify the molecule Nc1nc2c[nH+]ccc2n1Cc1cc(Br)cs1 by substituting a halo with carboxyl.,Nc1nc2c[nH+]ccc2n1Cc1cc(Br)cs1,halo,carboxyl9712181,Please replace a hydroxyl in the molecule Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCCO3)N=[NH+]1 with nitro.,Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCCO3)N=[NH+]1,hydroxyl,nitro972110142,Substitute a nitro in the molecule Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C1 with halo.,Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C1,nitro,halo973192040,Replace a halo in the molecule COc1cc(NC(=O)CCN2[C@@H](C)COC[C@@H]2C)c(OC)cc1Cl by carboxyl.,COc1cc(NC(=O)CCN2[C@@H](C)COC[C@@H]2C)c(OC)cc1Cl,halo,carboxyl974133509,Replace a nitrile in the molecule CC[NH+]1CCN(c2ncnc(N(CCC#N)CCC#N)c2N)CC1 by nitro.,CC[NH+]1CCN(c2ncnc(N(CCC#N)CCC#N)c2N)CC1,nitrile,nitro975145713,Replace a halo in the molecule Cc1nccn1-c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1F by nitro.,Cc1nccn1-c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1F,halo,nitro976153867,Substitute a halo in the molecule CCN1C(=O)[C@](C)(C(=O)Nc2ccc(F)cc2)Sc2ccccc21 with thiol.,CCN1C(=O)[C@](C)(C(=O)Nc2ccc(F)cc2)Sc2ccccc21,halo,thiol97732503,Modify the molecule C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCC[C@H]1O by replacing a halo by nitrile.,C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCC[C@H]1O,halo,nitrile978194925,Replace a hydroxyl in the molecule CCS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1 by halo.,CCS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1,hydroxyl,halo97955764,Please substitute a halo in the molecule OCc1ccc(Oc2ncc(Br)cn2)cc1 by carboxyl.,OCc1ccc(Oc2ncc(Br)cn2)cc1,halo,carboxyl980234281,Modify the molecule O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCn1nc(-c2cccs2)ccc1=O by substituting a halo with nitrile.,O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCn1nc(-c2cccs2)ccc1=O,halo,nitrile981182054,Modify the molecule CC[C@H](C(=O)N1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 by substituting a hydroxyl with thiol.,CC[C@H](C(=O)N1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1,hydroxyl,thiol982128178,Please replace a halo in the molecule Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl with thiol.,Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl,halo,thiol983146115,Replace a hydroxyl in the molecule COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1O by halo.,COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1O,hydroxyl,halo98468158,Substitute a halo in the molecule CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C(/C)c2ccc(F)cc2)cc1 with nitro.,CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C(/C)c2ccc(F)cc2)cc1,halo,nitro98551054,Substitute a halo in the molecule O=C(NCc1cccc(Br)c1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 with aldehyde.,O=C(NCc1cccc(Br)c1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1,halo,aldehyde98629747,Replace a halo in the molecule Cc1csc([C@H](C)NC(=O)c2cccc(Br)n2)n1 by aldehyde.,Cc1csc([C@H](C)NC(=O)c2cccc(Br)n2)n1,halo,aldehyde98781309,Please replace a nitrile in the molecule Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1 with thiol.,Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1,nitrile,thiol9889910,Please replace a halo in the molecule CCOC(=O)[C@H]1CCCN(c2nncc(-c3cccc(F)c3)n2)C1 with hydroxyl.,CCOC(=O)[C@H]1CCCN(c2nncc(-c3cccc(F)c3)n2)C1,halo,hydroxyl98951874,Please replace a nitrile in the molecule C#CCN1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 with halo.,C#CCN1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1,nitrile,halo990239551,Please substitute a hydroxyl in the molecule COCC[C@]1(CO)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1 by nitrile.,COCC[C@]1(CO)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1,hydroxyl,nitrile991175233,Modify the molecule CC[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 by substituting a hydroxyl with thiol.,CC[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1,hydroxyl,thiol992149520,Modify the molecule COc1ccc(/C=C2/N=C(c3ccc(OC)c(Br)c3)OC2=O)c(OC)c1 by replacing a halo by hydroxyl.,COc1ccc(/C=C2/N=C(c3ccc(OC)c(Br)c3)OC2=O)c(OC)c1,halo,hydroxyl993174312,Substitute a halo in the molecule N/C(=N/O)c1ccc(Sc2cccc(F)c2)c(F)c1 with aldehyde.,N/C(=N/O)c1ccc(Sc2cccc(F)c2)c(F)c1,halo,aldehyde994102089,Substitute a halo in the molecule N#Cc1c(NC(=O)c2cc(F)ccc2Br)sc2c1CCC2 with nitrile.,N#Cc1c(NC(=O)c2cc(F)ccc2Br)sc2c1CCC2,halo,nitrile99572997,Please replace a hydroxyl in the molecule CCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1O with nitro.,CCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1O,hydroxyl,nitro996110809,Please substitute a halo in the molecule COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1cc2c(cc1Br)OCO2 by hydroxyl.,COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1cc2c(cc1Br)OCO2,halo,hydroxyl997123040,Modify the molecule CC1(C)CC(/C=C/c2cccc([N+](=O)[O-])c2)=Nc2ccccc2N1 by substituting a nitro with aldehyde.,CC1(C)CC(/C=C/c2cccc([N+](=O)[O-])c2)=Nc2ccccc2N1,nitro,aldehyde998109675,Replace a halo in the molecule CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(F)c(F)c1 by nitro.,CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(F)c(F)c1,halo,nitro999104079,Substitute a halo in the molecule COc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1F with nitro.,COc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1F,halo,nitro100067141,Please substitute a halo in the molecule C[NH+](C)[C@@H](CNC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1 by carboxyl.,C[NH+](C)[C@@H](CNC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1,halo,carboxyl100111092,Replace a halo in the molecule Cc1nn(C)c(C)c1C(=O)Nc1ccc(Br)c2cccnc12 by hydroxyl.,Cc1nn(C)c(C)c1C(=O)Nc1ccc(Br)c2cccnc12,halo,hydroxyl100284860,Please substitute a halo in the molecule CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl by hydroxyl.,CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl,halo,hydroxyl100321311,Replace a halo in the molecule COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 by carboxyl.,COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1,halo,carboxyl1004192023,Modify the molecule CCOc1ccccc1OCCN(C)CC#N by replacing a nitrile by nitro.,CCOc1ccccc1OCCN(C)CC#N,nitrile,nitro10056173,Please replace a nitro in the molecule Cc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 with carboxyl.,Cc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1,nitro,carboxyl10067504,Substitute a nitro in the molecule Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 with halo.,Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,nitro,halo1007115570,Please substitute a nitrile in the molecule C[C@H]([NH3+])c1cc(F)ccc1OCCCC#N by carboxyl.,C[C@H]([NH3+])c1cc(F)ccc1OCCCC#N,nitrile,carboxyl1008174400,Substitute a halo in the molecule O=C(/C=C/c1ccc(F)cc1)NC(=S)NCCc1ccccc1 with hydroxyl.,O=C(/C=C/c1ccc(F)cc1)NC(=S)NCCc1ccccc1,halo,hydroxyl100972431,Replace a hydroxyl in the molecule CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc3c(c2)OCCO3)n2nc(CO)nc2N1 by aldehyde.,CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc3c(c2)OCCO3)n2nc(CO)nc2N1,hydroxyl,aldehyde101057453,Modify the molecule COc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 by replacing a nitro by thiol.,COc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1,nitro,thiol1011137088,Modify the molecule CS[C@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 by replacing a nitrile by halo.,CS[C@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1,nitrile,halo101223245,Modify the molecule C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(C)(C)C by substituting a halo with carboxyl.,C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(C)(C)C,halo,carboxyl1013134358,Modify the molecule O=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1 by replacing a halo by nitro.,O=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1,halo,nitro101468644,Modify the molecule CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 by replacing a halo by thiol.,CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1,halo,thiol101511063,Substitute a halo in the molecule COCCN(c1nc(Cl)ncc1C)[C@H](C)COC with thiol.,COCCN(c1nc(Cl)ncc1C)[C@H](C)COC,halo,thiol1016197255,Please substitute a nitro in the molecule CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC by halo.,CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC,nitro,halo1017242299,Modify the molecule CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 by substituting a nitro with halo.,CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1,nitro,halo101854307,Please substitute a nitrile in the molecule CC1(C)CC[NH+]([C@@H]2CCCC[C@@H]2C#N)C1 by nitro.,CC1(C)CC[NH+]([C@@H]2CCCC[C@@H]2C#N)C1,nitrile,nitro101968399,Replace a hydroxyl in the molecule CCCCCC[C@H](O)c1cscc1C by carboxyl.,CCCCCC[C@H](O)c1cscc1C,hydroxyl,carboxyl102034097,Please substitute a nitrile in the molecule Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(OCC#N)c1 by halo.,Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(OCC#N)c1,nitrile,halo1021153664,Replace a hydroxyl in the molecule CCOC(OCC)[C@@H](O)Cc1ccccn1 by nitro.,CCOC(OCC)[C@@H](O)Cc1ccccn1,hydroxyl,nitro1022146887,Please substitute a hydroxyl in the molecule Cc1ccc(C)c(OC[C@H](O)CN2CCN(S(C)(=O)=O)CC2)c1 by halo.,Cc1ccc(C)c(OC[C@H](O)CN2CCN(S(C)(=O)=O)CC2)c1,hydroxyl,halo1023145834,Please replace a hydroxyl in the molecule CN(Cc1ccccc1O)C(=O)c1cnc([C@H]2CCCO2)s1 with thiol.,CN(Cc1ccccc1O)C(=O)c1cnc([C@H]2CCCO2)s1,hydroxyl,thiol10249370,Please replace a hydroxyl in the molecule Cc1cccc(-n2c([S-])nnc2-c2ccccc2O)c1C with nitrile.,Cc1cccc(-n2c([S-])nnc2-c2ccccc2O)c1C,hydroxyl,nitrile1025248804,Please substitute a halo in the molecule C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)c1ccccc1 by nitrile.,C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)c1ccccc1,halo,nitrile102699976,Please replace a hydroxyl in the molecule CCN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(C(=O)[O-])cc1 with nitro.,CCN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(C(=O)[O-])cc1,hydroxyl,nitro1027238823,Substitute a halo in the molecule COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)Cc1cccs1 with thiol.,COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)Cc1cccs1,halo,thiol102855321,Modify the molecule COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5F)CC4)sc3n2)cc1 by substituting a halo with nitrile.,COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5F)CC4)sc3n2)cc1,halo,nitrile1029188577,Modify the molecule O=S(=O)(c1ccc(CSc2ccccn2)cc1)C(F)F by replacing a halo by thiol.,O=S(=O)(c1ccc(CSc2ccccn2)cc1)C(F)F,halo,thiol1030226655,Modify the molecule CC[NH2+][C@@H](c1cc(F)ccc1Br)[C@H](C)c1ccccn1 by replacing a halo by hydroxyl.,CC[NH2+][C@@H](c1cc(F)ccc1Br)[C@H](C)c1ccccn1,halo,hydroxyl103193962,Modify the molecule COCC[NH+]1CC[C@@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1 by replacing a halo by hydroxyl.,COCC[NH+]1CC[C@@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1,halo,hydroxyl103244131,Modify the molecule Cc1cc(NC(=O)Cn2ncc3cc(-c4ccccc4Cl)ccc32)n(C)n1 by replacing a halo by thiol.,Cc1cc(NC(=O)Cn2ncc3cc(-c4ccccc4Cl)ccc32)n(C)n1,halo,thiol103320740,Modify the molecule Cc1ccc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1C by substituting a nitro with halo.,Cc1ccc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1C,nitro,halo1034249284,Please replace a halo in the molecule CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C with nitrile.,CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C,halo,nitrile103518468,Please replace a hydroxyl in the molecule COc1cc(C(=O)/C=C/c2ccccc2C)ccc1O with carboxyl.,COc1cc(C(=O)/C=C/c2ccccc2C)ccc1O,hydroxyl,carboxyl1036208113,Modify the molecule O=C(C[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CC1)Nc1ccc(F)cc1 by replacing a halo by nitrile.,O=C(C[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CC1)Nc1ccc(F)cc1,halo,nitrile103728785,Modify the molecule COc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 by replacing a hydroxyl by nitro.,COc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1,hydroxyl,nitro103864147,Please replace a halo in the molecule Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1 with carboxyl.,Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1,halo,carboxyl103997261,Please substitute a hydroxyl in the molecule C[C@H](C(=O)[O-])[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO by nitro.,C[C@H](C(=O)[O-])[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO,hydroxyl,nitro1040240659,Modify the molecule Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1 by replacing a halo by aldehyde.,Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1,halo,aldehyde104135150,Modify the molecule C[C@@](O)(Cc1cccc(O)c1)C1CC1 by substituting a hydroxyl with nitrile.,C[C@@](O)(Cc1cccc(O)c1)C1CC1,hydroxyl,nitrile104253043,Substitute a halo in the molecule Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 with nitro.,Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1,halo,nitro104362185,Substitute a halo in the molecule COC(=O)[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(C)(C)C with nitro.,COC(=O)[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(C)(C)C,halo,nitro1044169496,Modify the molecule N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1F by replacing a nitrile by nitro.,N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1F,nitrile,nitro104532406,Please substitute a halo in the molecule COCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F by nitrile.,COCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F,halo,nitrile104636841,Please substitute a nitro in the molecule N#Cc1cc(F)cc(-c2nc(N)ccc2[N+](=O)[O-])c1 by carboxyl.,N#Cc1cc(F)cc(-c2nc(N)ccc2[N+](=O)[O-])c1,nitro,carboxyl1047156,Modify the molecule O=C(NCc1cccs1)C1(c2cccc(Cl)c2)CCC1 by substituting a halo with aldehyde.,O=C(NCc1cccs1)C1(c2cccc(Cl)c2)CCC1,halo,aldehyde1048141861,Please replace a halo in the molecule O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 with aldehyde.,O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1,halo,aldehyde10494149,Modify the molecule Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1 by substituting a nitrile with halo.,Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1,nitrile,halo1050139047,Please substitute a halo in the molecule O=C(CCCCl)NNC(=O)c1ccc(Cl)cc1 by nitrile.,O=C(CCCCl)NNC(=O)c1ccc(Cl)cc1,halo,nitrile1051125189,Replace a halo in the molecule O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 by nitrile.,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1,halo,nitrile1052176201,Please replace a halo in the molecule CCCCN(C)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl with thiol.,CCCCN(C)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl,halo,thiol1053138413,Please substitute a halo in the molecule O=C1COCC(=O)N1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 by nitro.,O=C1COCC(=O)N1Cc1nnc(-c2ccc(Cl)cc2Cl)o1,halo,nitro1054196502,Please substitute a halo in the molecule CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 by carboxyl.,CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1,halo,carboxyl105519335,Replace a halo in the molecule O=C(Nc1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1 by carboxyl.,O=C(Nc1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1,halo,carboxyl105671476,Please substitute a halo in the molecule O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Cl)c[nH]1 by nitro.,O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Cl)c[nH]1,halo,nitro105769078,Substitute a halo in the molecule Cc1cc([C@@H]2[NH+]=C(C(C)C)N(C3CC3)C2=[NH2+])ccc1Br with aldehyde.,Cc1cc([C@@H]2[NH+]=C(C(C)C)N(C3CC3)C2=[NH2+])ccc1Br,halo,aldehyde1058104558,Modify the molecule Cc1nnnn1-c1cc(NC(=O)N[C@@H]2C[C@@H]2C)ccc1F by substituting a halo with thiol.,Cc1nnnn1-c1cc(NC(=O)N[C@@H]2C[C@@H]2C)ccc1F,halo,thiol1059244972,Modify the molecule Clc1ccccc1C#CCN1CCOC[C@@H]1C1CC1 by substituting a halo with aldehyde.,Clc1ccccc1C#CCN1CCOC[C@@H]1C1CC1,halo,aldehyde1060135609,Modify the molecule CC(C)=NNC(=O)Nc1ccc(C)c(Cl)c1 by replacing a halo by aldehyde.,CC(C)=NNC(=O)Nc1ccc(C)c(Cl)c1,halo,aldehyde1061189427,Replace a halo in the molecule CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 by nitrile.,CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1,halo,nitrile106247088,Modify the molecule COc1cc2c(cc1Cl)[C@H](C)[C@H](CC(=O)NC1[NH+]=c3ccccc3=[NH+]1)C(=O)O2 by substituting a halo with nitrile.,COc1cc2c(cc1Cl)[C@H](C)[C@H](CC(=O)NC1[NH+]=c3ccccc3=[NH+]1)C(=O)O2,halo,nitrile106370066,Substitute a nitro in the molecule CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 with carboxyl.,CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1,nitro,carboxyl1064103319,Modify the molecule COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCCCC2)cc1OC by substituting a nitrile with carboxyl.,COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCCCC2)cc1OC,nitrile,carboxyl1065141941,Substitute a halo in the molecule C[C@H]1CCC[C@H](C)N1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 with nitrile.,C[C@H]1CCC[C@H](C)N1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1,halo,nitrile106626668,Please replace a halo in the molecule O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(Br)cc1 with aldehyde.,O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(Br)cc1,halo,aldehyde106737072,Substitute a halo in the molecule CC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccccc2Br)C1 with carboxyl.,CC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccccc2Br)C1,halo,carboxyl1068154957,Modify the molecule N#Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 by replacing a hydroxyl by thiol.,N#Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1,hydroxyl,thiol1069232206,Substitute a nitro in the molecule CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 with aldehyde.,CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1,nitro,aldehyde107027345,Substitute a halo in the molecule Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 with aldehyde.,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3,halo,aldehyde1071133413,Modify the molecule O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCCO2 by replacing a halo by nitro.,O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCCO2,halo,nitro1072165395,Please replace a nitrile in the molecule N#C/C(=C1/SC[C@@H]([C@H]2CC=CC=C2Cl)S1)n1ccnc1 with thiol.,N#C/C(=C1/SC[C@@H]([C@H]2CC=CC=C2Cl)S1)n1ccnc1,nitrile,thiol1073161305,Please substitute a halo in the molecule C[NH+](C)CCNC(=O)CN1CCN(c2cccc(Cl)c2)C1=O by nitro.,C[NH+](C)CCNC(=O)CN1CCN(c2cccc(Cl)c2)C1=O,halo,nitro107466238,Modify the molecule O=S(=O)([N-]c1nnc(C2CC2)s1)c1c(Cl)cccc1Cl by substituting a halo with nitro.,O=S(=O)([N-]c1nnc(C2CC2)s1)c1c(Cl)cccc1Cl,halo,nitro1075230778,Replace a halo in the molecule CN(Cc1ccc(C[NH3+])cn1)c1ccc(F)cc1 by thiol.,CN(Cc1ccc(C[NH3+])cn1)c1ccc(F)cc1,halo,thiol1076112539,Replace a halo in the molecule COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 by nitro.,COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3Cl)C[C@H]21,halo,nitro1077229021,Please substitute a halo in the molecule CCOc1ccc(Nc2scc(-c3ccc(Cl)cc3)[n+]2N2CCOCC2)cc1 by thiol.,CCOc1ccc(Nc2scc(-c3ccc(Cl)cc3)[n+]2N2CCOCC2)cc1,halo,thiol1078205973,Substitute a hydroxyl in the molecule CN(C[C@@H](O)CN1CCOCC1)C(=O)c1nccc2ccccc12 with thiol.,CN(C[C@@H](O)CN1CCOCC1)C(=O)c1nccc2ccccc12,hydroxyl,thiol107924264,Modify the molecule CSc1ccc(C(=O)Oc2ccccc2F)cn1 by substituting a halo with hydroxyl.,CSc1ccc(C(=O)Oc2ccccc2F)cn1,halo,hydroxyl1080216113,Please replace a halo in the molecule CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 with aldehyde.,CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1,halo,aldehyde1081221792,Replace a nitrile in the molecule N#Cc1c(NC(=O)CCCc2nc(-c3ccccc3)no2)sc2c1CCCC2 by nitro.,N#Cc1c(NC(=O)CCCc2nc(-c3ccccc3)no2)sc2c1CCCC2,nitrile,nitro108276887,Replace a halo in the molecule Nc1cccc(Br)c1CO by carboxyl.,Nc1cccc(Br)c1CO,halo,carboxyl108339784,Please replace a halo in the molecule Cc1nc(-c2cncc(Br)c2)nc(NN)c1F with nitrile.,Cc1nc(-c2cncc(Br)c2)nc(NN)c1F,halo,nitrile108431995,Please substitute a halo in the molecule O=C(Nc1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1)c1ccccc1Cl by thiol.,O=C(Nc1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1)c1ccccc1Cl,halo,thiol1085163756,Substitute a hydroxyl in the molecule C[C@@H]1CCC[C@H](NC(=O)C/C(N)=N/O)C1 with aldehyde.,C[C@@H]1CCC[C@H](NC(=O)C/C(N)=N/O)C1,hydroxyl,aldehyde108673619,Please substitute a halo in the molecule CC1(C(=O)N2CCCC[C@@H]2CCCl)CCCC1 by hydroxyl.,CC1(C(=O)N2CCCC[C@@H]2CCCl)CCCC1,halo,hydroxyl108710200,Please replace a halo in the molecule N#Cc1ccc(F)c(CN[C@H]2CCOc3c(Cl)cccc32)c1 with nitro.,N#Cc1ccc(F)c(CN[C@H]2CCOc3c(Cl)cccc32)c1,halo,nitro1088239860,Modify the molecule Cc1ccc(O[C@H](C)CNC(=O)N2CCC[C@@H](CCO)C2)cc1 by replacing a hydroxyl by halo.,Cc1ccc(O[C@H](C)CNC(=O)N2CCC[C@@H](CCO)C2)cc1,hydroxyl,halo1089203537,Replace a halo in the molecule O=C(CNC(=O)c1cccc(Br)n1)Nc1ccc(F)cc1 by thiol.,O=C(CNC(=O)c1cccc(Br)n1)Nc1ccc(F)cc1,halo,thiol1090135735,Please substitute a halo in the molecule COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(OC)c1 by carboxyl.,COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(OC)c1,halo,carboxyl1091107037,Please substitute a hydroxyl in the molecule CC(C)NC(=O)CN1CCN(c2ccc(O)cc2)CC1 by nitro.,CC(C)NC(=O)CN1CCN(c2ccc(O)cc2)CC1,hydroxyl,nitro1092152614,Substitute a halo in the molecule CN(Cc1cccc(NN)[nH+]1)Cc1cc(Br)cs1 with thiol.,CN(Cc1cccc(NN)[nH+]1)Cc1cc(Br)cs1,halo,thiol1093171605,Please replace a halo in the molecule O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCC1 with hydroxyl.,O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCC1,halo,hydroxyl1094134217,Substitute a halo in the molecule CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 with thiol.,CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1,halo,thiol10954926,Substitute a halo in the molecule CNC(=O)NC(=O)COc1ccc(C#N)cc1Cl with nitro.,CNC(=O)NC(=O)COc1ccc(C#N)cc1Cl,halo,nitro109666404,Please substitute a halo in the molecule C=C(C)n1c(=O)n(C[C@@H]2CC2(Cl)Cl)c2cc(C)c(C)cc21 by thiol.,C=C(C)n1c(=O)n(C[C@@H]2CC2(Cl)Cl)c2cc(C)c(C)cc21,halo,thiol109770040,Please replace a halo in the molecule C[C@@](N)(c1cc(F)cc(F)c1)c1ccccc1C(F)(F)F with aldehyde.,C[C@@](N)(c1cc(F)cc(F)c1)c1ccccc1C(F)(F)F,halo,aldehyde1098241353,Modify the molecule O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1 by substituting a halo with aldehyde.,O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1,halo,aldehyde1099191679,Substitute a halo in the molecule COC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccc(Cl)cc1 with nitrile.,COC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccc(Cl)cc1,halo,nitrile110050985,Please substitute a halo in the molecule C[C@@H](c1ccon1)N(C)C(=O)c1cn(Cc2ccccc2F)nn1 by hydroxyl.,C[C@@H](c1ccon1)N(C)C(=O)c1cn(Cc2ccccc2F)nn1,halo,hydroxyl1101174856,Please replace a halo in the molecule Fc1cc(Br)cc(CO[C@@H]2CC[NH2+]C2)c1 with hydroxyl.,Fc1cc(Br)cc(CO[C@@H]2CC[NH2+]C2)c1,halo,hydroxyl110288902,Please substitute a halo in the molecule O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 by nitro.,O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1,halo,nitro1103157145,Please substitute a halo in the molecule CC[C@@H](C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1 by nitro.,CC[C@@H](C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1,halo,nitro110492419,Replace a halo in the molecule Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2nc(C)cc2C)C3)n1 by hydroxyl.,Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2nc(C)cc2C)C3)n1,halo,hydroxyl1105157131,Modify the molecule CC(=O)Nc1ccc(F)c(NC(=O)c2c(C)nn(C)c2C)c1 by replacing a halo by carboxyl.,CC(=O)Nc1ccc(F)c(NC(=O)c2c(C)nn(C)c2C)c1,halo,carboxyl1106189602,Substitute a halo in the molecule CC(C)(C)[NH2+]C[C@@H](Cc1nccs1)c1ccc(Br)cc1 with aldehyde.,CC(C)(C)[NH2+]C[C@@H](Cc1nccs1)c1ccc(Br)cc1,halo,aldehyde1107118564,Modify the molecule NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1 by substituting a halo with hydroxyl.,NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1,halo,hydroxyl1108102111,Substitute a halo in the molecule O=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 with nitrile.,O=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2,halo,nitrile110914580,Replace a halo in the molecule NS(=O)(=O)c1ccc(NC(=O)NCCc2c(F)cccc2F)cc1 by nitro.,NS(=O)(=O)c1ccc(NC(=O)NCCc2c(F)cccc2F)cc1,halo,nitro1110146371,Substitute a halo in the molecule COc1ccc([C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F)cc1 with thiol.,COc1ccc([C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F)cc1,halo,thiol1111160103,Modify the molecule O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccc2ccccc2n1 by substituting a halo with nitro.,O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccc2ccccc2n1,halo,nitro111227304,Please substitute a nitro in the molecule CCC(=O)Oc1cccc([N+](=O)[O-])c1C by aldehyde.,CCC(=O)Oc1cccc([N+](=O)[O-])c1C,nitro,aldehyde1113134049,Please substitute a hydroxyl in the molecule Cc1cccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 by carboxyl.,Cc1cccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1,hydroxyl,carboxyl1114102367,Please replace a halo in the molecule COCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 with carboxyl.,COCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1,halo,carboxyl1115198222,Modify the molecule CNc1ncc(Br)cc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 by replacing a halo by aldehyde.,CNc1ncc(Br)cc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1,halo,aldehyde1116135560,Please substitute a halo in the molecule O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1 by thiol.,O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1,halo,thiol1117215769,Modify the molecule CC1(C)C[C@H]([NH2+]C[C@H](O)C2CCOCC2)C(C)(C)O1 by substituting a hydroxyl with nitrile.,CC1(C)C[C@H]([NH2+]C[C@H](O)C2CCOCC2)C(C)(C)O1,hydroxyl,nitrile1118187453,Please substitute a nitrile in the molecule N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 by thiol.,N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1,nitrile,thiol111962202,Modify the molecule O=C(COc1ccc(F)cc1Br)Nc1ccc2c(c1)OCCCO2 by substituting a halo with aldehyde.,O=C(COc1ccc(F)cc1Br)Nc1ccc2c(c1)OCCCO2,halo,aldehyde1120141396,Please replace a nitro in the molecule O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1 with thiol.,O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1,nitro,thiol112188851,Please substitute a hydroxyl in the molecule OCc1nc2ccc(-c3ccc4c(c3)OCCO4)cc2[nH]1 by thiol.,OCc1nc2ccc(-c3ccc4c(c3)OCCO4)cc2[nH]1,hydroxyl,thiol1122229563,Please replace a halo in the molecule C=C(C)Cc1ccccc1Br with nitro.,C=C(C)Cc1ccccc1Br,halo,nitro112330265,Please replace a halo in the molecule CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 with aldehyde.,CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1,halo,aldehyde1124134755,Please substitute a nitrile in the molecule CN(C(=O)c1ccc(C#N)cc1)C1Cc2ccccc2C1 by halo.,CN(C(=O)c1ccc(C#N)cc1)C1Cc2ccccc2C1,nitrile,halo11253017,Modify the molecule O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c2cccc(F)c12 by replacing a halo by carboxyl.,O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c2cccc(F)c12,halo,carboxyl1126186994,Please replace a halo in the molecule O=C1CCC[C@H]1[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1Cl with nitrile.,O=C1CCC[C@H]1[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1Cl,halo,nitrile1127193537,Substitute a halo in the molecule COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F with nitrile.,COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F,halo,nitrile112867061,Please substitute a hydroxyl in the molecule CC#CC[C@H](O)[C@]1([NH+](C)C)CCC[C@H](C)C1 by halo.,CC#CC[C@H](O)[C@]1([NH+](C)C)CCC[C@H](C)C1,hydroxyl,halo1129127965,Please substitute a hydroxyl in the molecule C[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1 by nitrile.,C[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1,hydroxyl,nitrile1130246395,Modify the molecule CC(C)[C@@H](O)[C@@H](C)c1cccc(F)c1 by replacing a hydroxyl by nitro.,CC(C)[C@@H](O)[C@@H](C)c1cccc(F)c1,hydroxyl,nitro113179240,Please replace a halo in the molecule CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1 with hydroxyl.,CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1,halo,hydroxyl1132207735,Substitute a halo in the molecule CC[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1 with thiol.,CC[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1,halo,thiol1133164354,Substitute a halo in the molecule Brc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2 with nitro.,Brc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2,halo,nitro1134192791,Substitute a nitrile in the molecule N#C[C@@]1(NC2CC2)CC[C@@H](Oc2ccc(F)cc2F)C1 with hydroxyl.,N#C[C@@]1(NC2CC2)CC[C@@H](Oc2ccc(F)cc2F)C1,nitrile,hydroxyl1135116206,Please substitute a hydroxyl in the molecule Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)nc1 by nitro.,Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)nc1,hydroxyl,nitro113687384,Modify the molecule COc1cc2[nH]c3c(N4CCN(c5cccc(Cl)c5)CC4)ncnc3c2cc1OC by substituting a halo with hydroxyl.,COc1cc2[nH]c3c(N4CCN(c5cccc(Cl)c5)CC4)ncnc3c2cc1OC,halo,hydroxyl1137131411,Modify the molecule Cc1ccccc1-c1noc([C@H](C)SCC2(CO)COC2)n1 by substituting a hydroxyl with carboxyl.,Cc1ccccc1-c1noc([C@H](C)SCC2(CO)COC2)n1,hydroxyl,carboxyl1138234614,Modify the molecule O=C(C[NH2+]C1CCCCC1)Nc1ccc(F)c(Cl)c1 by substituting a halo with nitro.,O=C(C[NH2+]C1CCCCC1)Nc1ccc(F)c(Cl)c1,halo,nitro1139130271,Substitute a halo in the molecule O=C1NC[C@H](C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)N1 with carboxyl.,O=C1NC[C@H](C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)N1,halo,carboxyl1140101537,Modify the molecule COc1ccc(CC(=O)NC[C@@](C)(O)C2CC2)cc1OC by replacing a hydroxyl by thiol.,COc1ccc(CC(=O)NC[C@@](C)(O)C2CC2)cc1OC,hydroxyl,thiol1141196601,Please substitute a nitro in the molecule CCCN(CCC)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] by aldehyde.,CCCN(CCC)c1ccc(C(=O)[O-])cc1[N+](=O)[O-],nitro,aldehyde114244066,Please replace a halo in the molecule COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC with hydroxyl.,COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC,halo,hydroxyl1143158369,Substitute a halo in the molecule CC[C@@H]1CC(=O)N(S(=O)(=O)c2sc(Cl)nc2C)C1 with carboxyl.,CC[C@@H]1CC(=O)N(S(=O)(=O)c2sc(Cl)nc2C)C1,halo,carboxyl114495505,Please substitute a halo in the molecule COc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)c1 by hydroxyl.,COc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)c1,halo,hydroxyl114597668,Please substitute a halo in the molecule O=C(NCc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 by thiol.,O=C(NCc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1,halo,thiol114691269,Replace a halo in the molecule COCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 by nitro.,COCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1,halo,nitro1147165662,Replace a halo in the molecule O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1I by aldehyde.,O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1I,halo,aldehyde114832609,Replace a halo in the molecule O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1cc(Cl)ccc1Cl by thiol.,O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1cc(Cl)ccc1Cl,halo,thiol114918320,Replace a hydroxyl in the molecule O=C(c1cc(F)cc(Br)c1)N1CCCC[C@H]1CCO by aldehyde.,O=C(c1cc(F)cc(Br)c1)N1CCCC[C@H]1CCO,hydroxyl,aldehyde1150186529,Modify the molecule COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccccc2F)C1 by substituting a halo with carboxyl.,COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccccc2F)C1,halo,carboxyl1151150241,Substitute a hydroxyl in the molecule CC(=O)Nc1cc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)ccc1C with nitro.,CC(=O)Nc1cc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)ccc1C,hydroxyl,nitro115257025,Please replace a halo in the molecule O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 with nitro.,O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1,halo,nitro11534465,Please replace a halo in the molecule OC[C@@H](Br)C(F)(F)Br with hydroxyl.,OC[C@@H](Br)C(F)(F)Br,halo,hydroxyl1154219322,Modify the molecule C[C@H](O)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1 by replacing a hydroxyl by nitro.,C[C@H](O)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1,hydroxyl,nitro1155112471,Modify the molecule CCN(CCOC)c1cccc(F)c1C[NH3+] by substituting a halo with hydroxyl.,CCN(CCOC)c1cccc(F)c1C[NH3+],halo,hydroxyl115649861,Substitute a halo in the molecule CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 with aldehyde.,CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1,halo,aldehyde1157126476,Please substitute a halo in the molecule COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(OC(F)F)c1 by hydroxyl.,COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(OC(F)F)c1,halo,hydroxyl1158137367,Please replace a nitrile in the molecule N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NCCc1ccccc1 with hydroxyl.,N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NCCc1ccccc1,nitrile,hydroxyl1159204986,Modify the molecule CCCCN(CCCC)c1nc(Cl)ncc1F by replacing a halo by nitro.,CCCCN(CCCC)c1nc(Cl)ncc1F,halo,nitro116045989,Modify the molecule O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 by substituting a halo with hydroxyl.,O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1,halo,hydroxyl116158061,Replace a nitro in the molecule CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 by aldehyde.,CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1,nitro,aldehyde1162128183,Substitute a halo in the molecule Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 with nitro.,Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1,halo,nitro1163159216,Please substitute a halo in the molecule CC[C@@H](NC(=O)NCCC[S@](C)=O)c1ccc(C)c(F)c1 by carboxyl.,CC[C@@H](NC(=O)NCCC[S@](C)=O)c1ccc(C)c(F)c1,halo,carboxyl116477702,Modify the molecule Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 by substituting a nitro with hydroxyl.,Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1,nitro,hydroxyl1165187365,Modify the molecule COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1 by replacing a halo by aldehyde.,COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1,halo,aldehyde1166160211,Please substitute a hydroxyl in the molecule NS(=O)(=O)CCN(CCO)Cc1cc(Br)ccc1F by halo.,NS(=O)(=O)CCN(CCO)Cc1cc(Br)ccc1F,hydroxyl,halo1167165655,Replace a halo in the molecule O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1c1ccccc1 by carboxyl.,O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1c1ccccc1,halo,carboxyl116865316,Modify the molecule O=C1N=C([O-])N(c2ccc(Cl)cc2)[C@@H](O)[C@H]1[C@@H]1NCCC2=c3ccccc3=[NH+][C@H]21 by substituting a halo with hydroxyl.,O=C1N=C([O-])N(c2ccc(Cl)cc2)[C@@H](O)[C@H]1[C@@H]1NCCC2=c3ccccc3=[NH+][C@H]21,halo,hydroxyl116981962,Replace a halo in the molecule Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)nn3)c12 by hydroxyl.,Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)nn3)c12,halo,hydroxyl1170220596,Modify the molecule CONC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 by substituting a halo with carboxyl.,CONC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1,halo,carboxyl117181769,Modify the molecule CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1 by substituting a hydroxyl with thiol.,CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1,hydroxyl,thiol1172239230,Replace a hydroxyl in the molecule C[C@@H]1CCC[NH+]1Cc1cc(F)cc(C#CCCO)c1 by halo.,C[C@@H]1CCC[NH+]1Cc1cc(F)cc(C#CCCO)c1,hydroxyl,halo117321771,Substitute a hydroxyl in the molecule C[C@H]([C@H]1Cc2ccccc2O1)[NH+](C)Cc1ccc(CO)o1 with carboxyl.,C[C@H]([C@H]1Cc2ccccc2O1)[NH+](C)Cc1ccc(CO)o1,hydroxyl,carboxyl1174181521,Please substitute a halo in the molecule COCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br by aldehyde.,COCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br,halo,aldehyde1175222707,Modify the molecule C/C(=N\O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C by replacing a hydroxyl by aldehyde.,C/C(=N\O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C,hydroxyl,aldehyde1176101878,Substitute a aldehyde in the molecule CCN(CC)C(=O)COC(=O)c1ccc(C=O)cc1 with thiol.,CCN(CC)C(=O)COC(=O)c1ccc(C=O)cc1,aldehyde,thiol1177159309,Please substitute a hydroxyl in the molecule C[C@H]1CCN(C(=O)c2c(F)cccc2F)C[C@H]1O by nitro.,C[C@H]1CCN(C(=O)c2c(F)cccc2F)C[C@H]1O,hydroxyl,nitro117878338,Substitute a hydroxyl in the molecule COc1ccccc1C[C@H](O)C(C)(C)[NH+]1CCCCCC1 with thiol.,COc1ccccc1C[C@H](O)C(C)(C)[NH+]1CCCCCC1,hydroxyl,thiol1179175081,Modify the molecule O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 by replacing a nitro by hydroxyl.,O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1,nitro,hydroxyl1180144494,Please replace a hydroxyl in the molecule Cn1cc[nH+]c1C[C@@H](O)c1cccnc1 with halo.,Cn1cc[nH+]c1C[C@@H](O)c1cccnc1,hydroxyl,halo118112368,Substitute a hydroxyl in the molecule O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 with carboxyl.,O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21,hydroxyl,carboxyl118264082,Please substitute a halo in the molecule O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 by hydroxyl.,O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1,halo,hydroxyl118389951,Please replace a halo in the molecule Cc1c(Cl)ccc2s/c(=N/C(=O)[C@@H]3CCCCN3S(C)(=O)=O)n(C)c12 with nitrile.,Cc1c(Cl)ccc2s/c(=N/C(=O)[C@@H]3CCCCN3S(C)(=O)=O)n(C)c12,halo,nitrile1184141815,Substitute a thiol in the molecule S/C(=N\N=C\c1c(Cl)cccc1Cl)Nc1ccccc1 with nitro.,S/C(=N\N=C\c1c(Cl)cccc1Cl)Nc1ccccc1,thiol,nitro1185106107,Please substitute a halo in the molecule Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O by nitrile.,Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O,halo,nitrile1186161244,Please replace a hydroxyl in the molecule Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] with thiol.,Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-],hydroxyl,thiol1187192763,Modify the molecule COc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 by substituting a nitro with nitrile.,COc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1,nitro,nitrile1188192105,Substitute a hydroxyl in the molecule CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 with halo.,CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1,hydroxyl,halo118951505,Replace a halo in the molecule Cc1cccc(C)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1F by aldehyde.,Cc1cccc(C)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1F,halo,aldehyde1190179968,Please replace a halo in the molecule NC(=O)[C@@H](N[C@@H]1CCc2c(Br)cccc21)c1ccccc1 with carboxyl.,NC(=O)[C@@H](N[C@@H]1CCc2c(Br)cccc21)c1ccccc1,halo,carboxyl1191213141,Please replace a halo in the molecule Cc1cc(C)c(OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 with carboxyl.,Cc1cc(C)c(OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1,halo,carboxyl1192244955,Please substitute a hydroxyl in the molecule CC(C)(O)CC[NH2+]Cc1cccc2c1OCO2 by carboxyl.,CC(C)(O)CC[NH2+]Cc1cccc2c1OCO2,hydroxyl,carboxyl1193193043,Modify the molecule O[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1 by substituting a hydroxyl with carboxyl.,O[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1,hydroxyl,carboxyl119451861,Please substitute a hydroxyl in the molecule Cc1nn(CCO)c(C)c1C[NH+]1CC[C@H](C)C[C@H](C)C1 by carboxyl.,Cc1nn(CCO)c(C)c1C[NH+]1CC[C@H](C)C[C@H](C)C1,hydroxyl,carboxyl119528495,Please replace a halo in the molecule C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C)c1ccc(F)cc1 with nitro.,C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C)c1ccc(F)cc1,halo,nitro119667373,Please substitute a halo in the molecule Cc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1C by nitro.,Cc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1C,halo,nitro1197157860,Please replace a hydroxyl in the molecule CCc1c(N2CC[C@](O)(CC)[C@H](O)C2)nc(C)[nH+]c1C with carboxyl.,CCc1c(N2CC[C@](O)(CC)[C@H](O)C2)nc(C)[nH+]c1C,hydroxyl,carboxyl1198143208,Replace a hydroxyl in the molecule CCCCN(CCO)C(=O)N[C@H](C)C(C)C by halo.,CCCCN(CCO)C(=O)N[C@H](C)C(C)C,hydroxyl,halo1199164901,Modify the molecule CC[C@]1(c2ccc(NC(=O)C3(C#N)CCCC3)cc2)CCC(=O)NC1=O by replacing a nitrile by hydroxyl.,CC[C@]1(c2ccc(NC(=O)C3(C#N)CCCC3)cc2)CCC(=O)NC1=O,nitrile,hydroxyl1200172147,Substitute a halo in the molecule Cc1cc(F)c([C@H](O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1F with thiol.,Cc1cc(F)c([C@H](O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1F,halo,thiol