Compound Name

SMILES String

Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|

Brc1ccc(o1)-c1nc2ccc(cc2[nH]1)N1C(=O)c2ccccc2C1=O

Brc1ccc(o1)-c1nc2ccccc2c(=O)o1

Brc1ccc(o1)C(=O)Oc1ccc(cc1)-c1cnc2ccccc2n1

Brc1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1

C(N1CCOCC1)c1ccc2ccc3cccc4ccc1c2c34

C.CCCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)NC[C@@H]2C)C3(C)C)n1 |r|

C.CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(CCO)NC[C@@H]2C)C3(C)C)n1 |r|

C.C[C@@H]1CN([C@@H](C)CN1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C.C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(OCCCO)ncc3F)n[nH]c2C1(C)C |r|

C.C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(OCCCO)ncc3F)n[nH]c2C1(C)C |r|

C.C[C@H]1CNC(CCO)CN1C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C1Cc2c([nH]c3ccccc23)-c2n[nH]cc12

C=CCn1c(SCC(=O)N2CCCC2)nc2scc(-c3cccs3)c2c1=O

CC(=O)Nc1ccc(Nc2ncc(c(Nc3ccc(NC(C)=O)cc3)n2)[N+]([O-])=O)cc1

CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1

CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2)cc1

CC(C)(C)C(=O)Nc1nc-2c(COc3ccccc-23)s1

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)n(n1)-c1ccccc1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

CC(C)CNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CC(C)NC(=O)c1cc2cccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c2[nH]1

CC(C)NC(C)c1ccc(Nc2nc3NCCc3c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)cc1

CC(C)NS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CO)cc2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(C)=O)cc2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(OC(F)(F)F)cc2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N(C)C)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(C)N2CCCCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(C)O)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(F)(F)F)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2C(F)(F)F)N2CCOCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2C)N2CCOCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2F)N2CCOCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cn2)N2CCOCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(nc2)N2CCOCC2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(C)=O)c2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NS(C)(=O)=O)c2)nc2NCCc12

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2nc(C)cs2)nc2NCCc12

CC(C)Nc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CC(C)c1nc(SCC(=O)N2CCCC2)c2ccccc2n1

CC(C)c1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1

CC(C)c1nc(SCC(=O)Nc2nnc(C)s2)c2ccccc2n1

CC(C)c1nc2n[nH]c(N)c2c2CCCCc12

CC(C)c1nc2n[nH]c(N)c2c2CCCc12

CC(C)c1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O

CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

CC1CCN(CC1)c1ncnc2nc[nH]c12

CC1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|

CCC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

CCC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12

CCC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

CCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

CCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

CCCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1

CCCCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O

CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)c12

CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12

CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

CCCn1c(NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)nc2ccccc12

CCN(CC)C(=O)CSc1nc(N)c2c3CCC(C)Cc3sc2n1

CCN(CC)C(=O)CSc1nc2ccc(CC)cc2cc1C#N

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

CCN(CC)S(=O)(=O)c1cc(ccc1NNC(=O)Nc1ccccc1)[N+]([O-])=O

CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

CCN1CCc2c(C1)sc(N)c2C#N

CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(C)nc(C)c3F)n[nH]c2C1(C)C |r|

CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(OC)ncc3F)n[nH]c2C1(C)C |r|

CCN1c2ccc(Nc3nc4NCC(C)(C)c4c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O

CCN1c2ccc(Nc3nc4NCCc4c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O

CCNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|

CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12

CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC4CCCN4C[C@@H]2C)C3(C)C)n1 |r,@@:25|

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1 |r|

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCC(F)(F)F)C[C@@H]2C)C3(C)C)n1 |r|

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCOC)C[C@@H]2C)C3(C)C)n1 |r|

CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C[C@@H]2C)C2CCOCC2)C3(C)C)n1 |r|

CCNc1nccc(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCOC(=O)C1=C(OC(=N)C(C#N)C1C1CCCCC1)c1ccccc1 |t:5|

CCOC(=O)C1=C(OC(=N)C(C#N)C1c1cccs1)c1ccccc1 |t:5|

CCOC(=O)CNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C

CCOC(=O)CSc1nc(nc2ccccc12)C(C)C

CCOC(=O)CSc1nc(nc2ccccc12)C1CC1

CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|

CCOC(=O)c1cccc2C(N=O)c3ccccc3-c12

CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(cc1)N1CCOCC1

CCOC(=O)c1cnn(c1N)-c1ncnc2sc(CC)cc12

CCOC(=O)c1sc2N=C3CCCC(=O)C3C(c3cccs3)c2c1C |t:8|

CCOCCCNC(=O)c1cc2cccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c2[nH]1

CCOCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:30,t:16|

CCOc1cc(\C=C2\NC(=S)NC2=O)ccc1OCc1ccc(cc1)[N+]([O-])=O

CCOc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1ccc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(Cl)cc2)cc1 |w:14.15,t:8|

CCOc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1

CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1

CCOc1ccc2nc(NC3=NC(CC(=O)N3)c3ccc(OC)cc3)nc(C)c2c1 |t:10|

CCOc1ccnc(Nc2n[nH]c3c2CN(C(=O)C2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ccnc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2CCN(CC2)C2CCOCC2)C3(C)C)n1

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2CCN(CCC(F)(F)F)CC2)C3(C)C)n1

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(CCO)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CCN(C)C(C)C2)C3(C)C)n1

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CCN(C)[C@H](C)C2)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CCN(CC4(O)CCOCC4)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CCN4CCC[C@@H]4C2)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)CC2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCC(F)(F)F)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCOC)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C[C@@H]2C)C2CCOCC2)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C(C)C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@]4(C)CCCN4C[C@@H]2C)C3(C)C)n1 |r|

CCOc1nccc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)C(C)C[C@@H]2C)C3(C)C)n1 |r|

CCS(=O)(=O)N(CCCCC(O)=O)c1ccccc1CNc1nc(Nc2ccc3NCCc3c2)ncc1C(F)(F)F

CCS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23

CCS(=O)(=O)Nc1ccc2NC(=O)C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 |w:15.15|

CC[C@@H]1CN(CCN1C)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

CC[C@H]1CN(CCN1C)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C

CCc1ccc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1

CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1

CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1

CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1

CCc1ccc2nc3n[nH]c(N)c3cc2c1

CCc1n[nH]c2cccc3c(OC)ccc1c23

CCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1

CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1

CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1

CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1 |r|

CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCC(F)(F)F)C[C@@H]2C)C3(C)C)n1 |r|

CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

CCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c1=O

CN(C)C=NC(=O)C(C#N)C1=Nc2ccccc2CC1 |w:4.4,t:10|

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C

CN(C)CCN1CCc2ccccc12

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC2)ncc1C(F)(F)F |r|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(N)(=C)=O)ncc1C(F)(F)F |r|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3C4CCC(N4C(C)=O)c3c2)ncc1C(F)(F)F |r,TLB:26:25:19.18:21,THB:15:16:19.18:21,22:21:19.18:16.25|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F |r|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F |r|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CCCNC3=O)c2)ncc1C(F)(F)F |r|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CCS3(=O)=O)c2)ncc1C(F)(F)F |r|

CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CN(C)S3(=O)=O)c2)ncc1C(F)(F)F |r|

CN(C)c1cc(N(C)C)c2C(=O)c3ccccc3C(=O)c2c1

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

CN(C)c1ncnc2nc[nH]c12

CN(CCc1ccccn1)C(=O)c1cc2cccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c2[nH]1

CN(Cc1ccccc1N(CCCCC(O)=O)S(C)(=O)=O)c1nc(Nc2ccc3NCCc3c2)ncc1C(F)(F)F

CN(Cc1ccncc1N(CC=C)S(C)(=O)=O)c1nc(Nc2ccc(N3CCOCC3)c(Br)c2)ncc1C(F)(F)F

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

CN(c1cccc(CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)c1)S(C)(=O)=O

CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1

CN(c1ccccc1CNc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)S(C)(=O)=O

CN(c1ccccc1CNc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F)S(C)(=O)=O

CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O

CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O

CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O

CN1C(=O)\C(=C\c2cn(CC(=O)N3CCCCC3)c3ccccc23)c2ccccc12

CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1ccco1

CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3cccc(C)n3)n[nH]c2C1(C)C

CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C

CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C

CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

CN1CCN(CC1)c1ccc(N)c(c1)N1CCN(C)CC1

CN1CCN(CC1)c1ccc(N)cc1

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

CN1CCc2c(C1)sc1N=CN3N\C(N=C3c21)=C1/C=CC=CC1=O |c:10,15,22,24|

CN1Cc2ccccc2N(CCCCC(=O)N2CCc3cc(Nc4ncc(c1n4)C(F)(F)F)ccc23)S(C)(=O)=O

CN1Cc2cccnc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O |t:12|

CN1Cc2ccncc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O |t:12|

CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

CNC(=O)c1cc2cccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c2[nH]1

CNC(=O)c1ccc(Nc2nc3NCCc3c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)cc1

CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1

CNC(=O)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1

CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1

CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1

CNC(=O)c1ccc2OCOc2c1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

CNC(=O)c1ccc2OCOc2c1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

CNC(=O)c1cccc(Nc2nc3NCCc3c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)c1

CNC(=O)c1ccccc1Nc1nc(Nc2cc(C)nn2C)nc2NCC(C)(C)c12

CNC(=O)c1ccccc1Nc1nc(Nc2cc(C)nn2C)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2NCC(C)(C)c12

CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)c3OCCOc23)nc2NCC(C)(C)c12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)c3OCCOc23)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2CO)N2CCOCC2)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)c12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NC[C@@H](C)c12 |r|

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NC[C@H](C)c12 |r|

CNC(=O)c1ccccc1Nc1nc(Nc2ccc3n(CCCN4CCOCC4)ccc3c2)nc2NCC(C)(C)c12

CNC(=O)c1ccccc1Nc1nc(Nc2cccc3OCCOc23)nc2NCC(C)(C)c12

CNC(=O)c1ccccc1Nc1nc(Nc2cccc3OCCOc23)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2cccc3ccoc23)nc2NCC(C)(C)c12

CNC(=O)c1ccccc1Nc1nc(Nc2cccc3ccoc23)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2cccc3n(CCCN4CCOCC4)ccc23)nc2NCCc12

CNC(=O)c1ccccc1Nc1nc(Nc2ccccc2OC)nc2NCCc12

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|

CNS(=O)(=CC)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|

CNS(=O)(=O)c1ccc(Nc2nc3NCCc3c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)cc1

CNS(=O)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2NCC3(CC3)c12

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)c12

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1

CNc1ccn(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1

CNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

COC(=O)C1C(NC(=O)N=C1CSCc1ccco1)c1cc(C)ccc1C |c:9|

COC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:26,t:12|

COC(=O)CSc1nc(nc2ccccc12)C(C)C

COC(=O)Cc1ccc2c(c1)n(C)c1ccccc21

COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc12

COC(=O)c1cc(Cl)c(NC(=O)\C=C\c2ccc(Cl)cc2)cc1OC

COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

COC(=O)c1cccc2C(N=O)c3ccccc3-c12

COC(=O)c1ccccc1NC(=O)c1c(Br)cnn1C

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|

COCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

COCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

COCCCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1

COCCN(Cc1ccccc1)P(O)(=O)c1ccccc1OCC(O)=O

COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12

COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12

COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12

COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1

COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)ccc23)cn1

COCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:29,t:15|

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

COCCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1

COCCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

COCCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

COCc1ncc(F)c(Nc2c[nH]c3c2CN(C(=O)C2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|

COCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1 |r|

COCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(CCO)N(C)C[C@@H]2C)C3(C)C)n1 |r|

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

COc1cc(NCCN2CCOCC2)ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1

COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

COc1cc(OCCN2CCOCC2)ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

COc1cc(cc(OC)c1O)C1Nc2ccc3ncccc3c2C2=C1C(=O)CC(C)(C)C2 |c:26|

COc1cc(cc(OC)c1O)C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:26|

COc1cc(cc(OC)c1OC)N=CC1C(=O)Nc2ccccc12 |w:12.12|

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(NC2CCCCC2N(C)S(C)(=O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccc(F)c(F)c2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2cccc(C)n2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2C(=O)N2CCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2NC(C)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)N(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NC(C)(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NC2CCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NC2CCCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NCC(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NCC2CC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NCCN(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)NCCO)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)(C)c2c(Nc2ccccc2S(=O)(=O)Nc2ccccc2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccc(F)c(F)c2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2cccc(C)n2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2C(=O)N2CCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2NC(C)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2S(=O)(=O)NC2CCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2S(=O)(=O)NC2CCCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccc(F)c(F)c2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2cccc(C)n2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2NC(C)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)N(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC(C)(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC2CC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC2CCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC2CCCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NCC(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NCC2CC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NCC=C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NCCO)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)Nc2ccccc2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccc(F)c(F)c2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2cccc(C)n2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2C(=O)N2CCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2C(O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2C=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2CCO)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2NC(C)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCNCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)N(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1cc(C)nc1C

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1ccccc1=O

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1cccn1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1ccnc1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1ncnn1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1C(=O)CCc2ccccc12

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1C(C)COCC1C

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(C1)N(C)C

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CC1)N(C)C

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CC1)N1CCCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CC1)N1CCCCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CC1)N1CCNCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CC1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CO)CC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(O)C1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(O)CC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCCC(O)C1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCCCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCCCC1=O

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCS(=O)(=O)CC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC2CC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC2CCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC2CCCCC2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NCC(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NCCN(C)C)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)Nc2ccccc2)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(N)(=O)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1nc2NC[C@@H](C)c2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1 |r|

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

COc1cc2nc(oc(=O)c2cc1OC)-c1ccc(Br)o1

COc1cc2nccc(Oc3ccc(NC(=O)c4c(NC5CCOCC5)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4c(Nc5ccccc5)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4c(ccn(-c5ccccc5)c4=O)N(C)C)nc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4c(ccn(-c5ccccc5)c4=O)N4CCN(C)CC4)nc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4cc(Cc5ccccc5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cccnc4)nc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cccs4)nc3)c2cc1OC

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

COc1ccc(-c2cc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)[nH]n2)c(C)c1

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1

COc1ccc(cc1)-c1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)[nH]n1

COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1ccc(OC)c(OC)c1

COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12

COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O

COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1

COc1ccc(cc1)-n1nc(C(=O)Nc2ccc(OC)c(OC)c2)c2c3ccccc3n(C)c2c1=O

COc1ccc(cc1)C(=O)Nc1nc2ccc3nc(C)sc3c2s1

COc1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:8.8|

COc1ccc(cc1COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12)[N+]([O-])=O

COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O

COc1ccc(cc1F)-c1coc2cc3oc(=O)cc(C)c3cc12

COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O

COc1ccc(cc1NC(=S)NC(=O)c1ccc2OCCOc2c1)-c1cc2ccccc2oc1=O

COc1ccc(cc1OC)-c1nc(-c2cccs2)c([nH]1)-c1cccs1

COc1ccc(cc1OC)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1

COc1ccc(cc1OC)N=CC1C(=O)Nc2ccccc12 |w:10.10|

COc1ccc(cn1)-c1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)[nH]n1

COc1ccc(nc1)-c1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)[nH]n1

COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1

COc1ccc2c(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cccnc4)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cnccn4)nc3)ccnc2c1

COc1ccc2nc(C)cc(SCC(=O)NN=Cc3cccc4ccccc34)c2c1 |w:16.15|

COc1cccc(Cn2cc(O)c(c2N)-c2nc(cs2)-c2ccc(Cl)cc2)c1

COc1cccc(c1)\N=c1/oc2ccc(OC)cc2cc1-c1nc2ccccc2[nH]1

COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1

COc1ccnc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1 |r|

COc1ccnc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C[C@@H]2C)C2CCOCC2)C3(C)C)n1 |r|

COc1cnc(cn1)-c1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)[nH]n1

COc1nc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1

COc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(CCO)N(C)C[C@@H]2C)C3(C)C)n1 |r|

COc1nnc(-c2ccc(N3CCCCC3)c(NC(C)=O)c2)c2ccccc12

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2ccc(N3CCOCC3)c(Br)c2)ncc1C(F)(F)F

CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2cccc(Br)c2)ncc1C(F)(F)F

CS(=O)(=O)N1CCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23

CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23

CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23

CS(=O)(=O)N1CCCc2cc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)ccc2N1CCOCC1

CS(=O)(=O)N1CCCc2cccc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)c2

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

CS(=O)(=O)N1C\C=C\c2cc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)ccc2N1CCOCC1 |t:6|

CS(=O)(=O)N1C\C=C\c2cccc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)c2 |t:6|

CS(=O)(=O)N1Cc2cccc(c2)C(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1

CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)c1

CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3cccc(C)n3)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3ccnc(n3)C#N)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(ncc3F)N3CCOCC3)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nccc(C)n3)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nccc(n3)C(F)(F)F)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1CC1(O)CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)cc(C)n3)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(Nc3nccc(C)n3)n[nH]c2C1(C)C |r|

C[C@@H]1CN([C@@H](C)CN1CCCO)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r|

C[C@H]1CC(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|

C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1

C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3ccnc(n3)N(C)C)n[nH]c2C1(C)C |r|

C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(NC4CC4)ncc3F)n[nH]c2C1(C)C |r|

C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(NCC4CC4)ncc3F)n[nH]c2C1(C)C |r|

C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|

C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(ncc3F)N(C)C)n[nH]c2C1(C)C |r|

C[C@H]1CN(C)C2(CCCC2)CN1C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C[C@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C[C@H]1CN2CCC[C@@]2(C)CN1C(=O)N1Cc2c(Nc3cccc(C)n3)n[nH]c2C1(C)C |r|

C[C@H]1CN2CCC[C@@]2(C)CN1C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|

C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|

C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|

C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

Cc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C

Cc1cc(C)cc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1

Cc1cc(N)ccc1N1CCCC1

Cc1cc(NC(=O)Cc2cccs2)no1

Cc1cc(OCC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)c2ccco2)cc(C)c1Cl

Cc1cc2cc3c(N)[nH]nc3nc2cc1C

Cc1ccc(Cl)cc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:12.13,t:10|

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

Cc1ccc(OC(=O)c2ccccc2P(O)(O)=O)cc1

Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3ncccc3o2)c(C)c1

Cc1ccc(cc1)-c1cc(nc2ncnc(N)c12)-c1ccc(F)cc1

Cc1ccc(cc1)-c1onc2ccc(C=O)cc12

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(CO)n[nH]1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(COc2cccnc2)n[nH]1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc(=O)[nH]c1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc(=O)[nH]n1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc(=O)n(C)c1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2OCCOc2c1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2ncccc2c1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2nccn2c1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2nccnc2c1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2cc([nH]c12)C(=O)N1CCC2(CCNC2)C1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2cc([nH]c12)C(=O)N1CCCC1)C(C)(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2cc([nH]c12)C(=O)Nc1cccc(Cl)c1)C(C)(C)C

Cc1ccc(cc1)C(=O)NNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21

Cc1ccc(cc1C)C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12

Cc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1

Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(o3)-c3ccccc3)c2n1

Cc1ccc2cc3cc(oc3nc2c1)C(=O)NCc1ccc2OCOc2c1

Cc1ccc2nc(oc(=O)c2c1)-c1ccc(Br)o1

Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2nsnc12

Cc1ccccc1-c1ccc(Nc2ccc(cc2)N2CCOCC2)nn1

Cc1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:11.12,t:9|

Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CC(C)(C)C2 |c:21|

Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:21|

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

Cc1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

Cc1n[nH]c(C)c1N=Nc1cc(Cl)ccc1Cl |w:8.9|

Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1 |(8.76,5.94,;7.85,4.69,;6.31,4.69,;5.84,3.23,;7.08,2.32,;7.08,.78,;5.75,.01,;5.75,-1.53,;7.08,-2.3,;8.41,-1.53,;7.08,-3.84,;5.75,-4.61,;4.98,-5.94,;6.52,-5.94,;4.41,-3.84,;4.41,-2.3,;3.08,-1.53,;8.33,3.23,;9.79,2.75,;10.11,1.25,;11.58,.77,;12.72,1.8,;14.19,1.33,;12.4,3.31,;10.94,3.78,)|

Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1 |(8.76,5.94,;7.85,4.69,;6.31,4.69,;5.84,3.23,;7.08,2.32,;7.08,.78,;5.75,.01,;5.75,-1.53,;4.41,-2.3,;3.08,-1.53,;4.41,-3.84,;5.75,-4.61,;4.98,-5.94,;6.52,-5.94,;7.08,-3.84,;7.08,-2.3,;8.41,-1.53,;8.33,3.23,;9.79,2.75,;10.11,1.25,;11.58,.77,;12.72,1.8,;12.4,3.31,;10.94,3.78,)|

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

Cc1nn2C(C3C(=O)CCCC3=Nc2c1-c1ccccc1)c1ccccc1 |c:12|

Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1

Cc1oc(cc1C(=O)Nc1cccc2ccccc12)-c1ccccc1

Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21

Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1

Clc1c(sc2ccccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1

Clc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|

Clc1cc(NC(=O)c2cccnc2)ccc1-c1cc2ccccc2oc1=O

Clc1ccc(CSc2nc(ccc2C#N)-c2cccnc2)c(Cl)c1

Clc1ccc(Cl)c2c3CCNC(=O)c3[nH]c12

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

Clc1ccc(c(Cl)c1Cl)-c1cc(C(=O)OCC(=O)N2CCN(CC2)C(=O)c2ccco2)c2ccccc2n1

Clc1ccc(cc1)C(=O)NN=c1c2cccc3cccc(c23)c1=O |w:10.10|

Clc1ccc(cc1S(=O)(=O)Nc1ccccc1)C(=O)Nc1ccccc1C(=O)NCC=C

Clc1ccc2[nH]cc(-c3nnnn3-c3ccccc3)c2c1

Clc1ccc2nc(N=NCc3ccccc3C#N)nc(-c3ccccc3)c2c1 |w:7.6|

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

Clc1cccc(c1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O

Clc1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1

Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1

Cn1c2ccccc2c(=O)n2c1cc1ccccc1c2=O

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

Cn1ccc2cc(Nc3ncc(c(NCc4ccccn4)n3)C(F)(F)F)ccc12

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

FC(F)(F)c1cnc(Nc2ccc3NC(=O)CCCc3c2)nc1NC1CCC1

FC(F)(F)c1cnc(Nc2ccc3NC(=O)CCc3c2)nc1NCc1ccccn1

FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccc1

FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccc1S(=O)(=O)N1CCCC1

FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1

FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1N[C@@H]1CCCCNC1=O |r|

FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1

FC(F)(F)c1cnc2Nc3ccc4N(CCc4c3)C(=O)CCCNS(=O)(=O)c3ncccc3CNc1n2

FC(F)(F)c1cnc2Sc3ccccc3Nc2c1

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 |w:6.6|

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

Fc1ccc(cc1)-c1onc2ccc(C=O)cc12

Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|

Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1

N#CCSc1nc(Nc2ccc3OCOc3c2)c2ccccc2n1

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

N#Cc1cnn2c1nc(N1CCCCC1)c1ccccc21

N#Cc1cnn2c1nc(N1CCOCC1)c1ccccc21

NC(=O)C(C#N)C1=Nc2ccccc2CC1 |t:6|

NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N

NNC(=O)C(=NNc1c(Cl)cccc1Cl)C#N |w:5.5|

NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1 |w:9.8|

NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1

Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1

Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

Nc1ncnc2nc(cc(-c3ccc(F)cc3)c12)-c1ccccc1

Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12

O=C(COc1ccccc1)Nc1sc2CCCCc2c1C(=O)NCc1cccnc1

O=C(CSc1ccc2-c3ccccc3C(=O)c3cccc1c23)Nc1cccc(c1)C#N

O=C(CSc1nc(nc2ccccc12)C1CC1)N1CCc2ccccc2C1

O=C(CSc1nc(nc2ccccc12)C1CC1)NCc1ccc2OCOc2c1

O=C(CSc1nc(nc2ccccc12)C1CC1)Nc1ccc2OCCOc2c1

O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

O=C(NCCc1c[nH]c2ccccc12)C1CCN(CC1)c1nnc(s1)N1CCCC1=O

O=C(NN=Cc1ccc2ccccc2c1)c1ccc(COc2ccc3CCCc3c2)o1 |w:3.2|

O=C(Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1)c1cccs1

O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O

O=C(Nc1ccc(cc1)N1CCCC1)C(c1ccccc1)c1ccccc1

O=C(Nc1ccc2oc(nc2c1)-c1cccnc1)c1cc2ccccc2o1

O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O

O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1

O=C(OCCN=C1NS(=O)(=O)c2ccccc12)c1cccnc1 |w:5.4|

O=C(c1coc-2c1C(=O)C(=O)c1ccccc-21)c1ccccc1

O=C1C(=O)c2ccccc2-c2ccccc12

O=C1C(C(=O)c2ccccc12)c1ccnc2ccccc12

O=C1CCCC2=C1C(Nc1ccc3ncccc3c21)c1cccs1 |c:5|

O=C1Cc2cc(Nc3ncc(C#N)c(NCc4ccccn4)n3)ccc2N1

O=C1Cc2cc(Nc3nccc(NCc4ccccn4)n3)ccc2N1

O=C1Cc2ccccc2C(=O)N1CCc1ccccc1

O=C1Cc2ccccc2C(=O)N1Cc1ccccc1

O=C1Nc2ccc(NS(=O)(=O)c3cccs3)c3cccc1c23

O=C1Nc2ccccc2C1=Cc1cnc[nH]1 |w:10.12|

O=C1Nc2ccccc2C1C=Nc1ccc2OCCOc2c1 |w:11.13|

O=Cc1ccc2noc(-c3ccccc3)c2c1

O=NCc1c(Nc2ccccc2)nc2ccccn2c1=O

O=c1[nH]c(Nc2ccccc2)cc2ccccc12

O=c1cc(oc2c3ccccc3ccc12)-c1ccco1

O=c1n(CN2CCOCC2)nc2-c3ccccc3-c3cccc1c23

O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc12

OC(=O)c1ccc(F)c(c1)S(=O)(=O)Nc1ccccc1

OC(=O)c1ccc(F)c(c1)S(=O)(=O)Nc1ccccc1Cl

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl

OC(=O)c1ccccc1OCCOCCOc1ccccc1C(O)=O

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

OP(=O)(c1nc2ccccc2n1CC=C)c1ccccc1

OP(O)(=O)C(=C)c1cccc2ccccc12

OP(O)(=O)c1cccc(Cl)c1C(=O)Oc1ccccc1

OP(O)(=O)c1ccccc1C(=O)Oc1ccccc1Cl

OP(O)(=O)c1ccccc1OCCCCCOc1ccccc1P(O)(O)=O

OP(O)(=O)c1ccccc1OCc1ccccc1

Oc1c(C(=O)Nc2cccnc2)c(=O)c2cccc3CCn1c23

Oc1ccc(\C=C2/C3Nc4ccccc4C3=C(C2=O)C2=C3C(=Nc4ccccc34)\C(=C/c3ccc(O)cc3)C2=O)cc1 |c:17,24,t:22|

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

Oc1ccc2ccccc2c1C=Nc1ccc(cc1)N1CCOCC1 |w:12.14|

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

Oc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1

Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2)cc1

[#6]C([#6])([#6])[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)P([#8])([#8])=O

[#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)c1sc2nc3CCN(C)Cc3cc2c1N |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

[O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O |w:7.6|

[O-][N+](=O)c1ccc(N2CCCCCC2)c([CH+][N-]NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c1

[O-][N+](=O)c1ccc(\C=C\C=N\NC(=O)c2cccs2)cc1

[O-][N+](=O)c1cccc(C=Cc2nc3ccc(cc3[nH]2)[N+]([O-])=O)c1 |w:9.9|

[O-][N+](=O)c1ccccc1NC(=O)[C-]1c2[nH]c3ccccc3[n+]2CCC1=O

c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1