1032 SMILES Strings for Mitotic checkpoint serine/threonine-protein kinase BUB1
Compound Name
SMILES String
Brc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Brc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
C=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
C=CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:3.2|
C=CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 |w:3.2|
C=CCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(=O)N(C(C)=O)c1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
CC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:5.4|
CC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC(F)(F)C1 |w:14.31,14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC(F)C1 |w:14.31,14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC2(COC2)C1 |w:14.31,14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC2CC1CO2 |w:14.31,14.15,TLB:28:30:33:35.36|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(C)(C)O |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(O)=O
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(C)(C)O |w:14.30|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(O)=O |w:14.30|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)\C=C\CCC(O)=O
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CCCCC(O)=O)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CCl)CC(=O)c2c1Nc1ccccc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CF)CC(=O)c2c1Nc1ccccc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CN)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CN=[N+]=[N-])CC(=O)c2c1Nc1ccccc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CNS(C)(=O)=O)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CO)CC(=O)c2c1Nc1ccccc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CS(=O)(=O)C(C)(C)C)CC(=O)c2c1Nc1ccccc1 |w:15.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CS(=O)(=O)Cc3ccc(F)cc3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CS(=O)(=O)c3nccs3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSC(C)(C)C)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSCc3ccc(F)cc3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(Cl)c(Cl)c3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(Cl)cc3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(F)c(F)c3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(F)c(O)c3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(F)cc3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccccn3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ncco3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3nccs3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccc(F)c(F)c1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1cccc(F)c1
CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2C[C@@]3(C)C[C@H]3C(=O)c2c1Nc1ccccc1 |r|
CC(=O)Nc1cc(ccn1)-c1[nH]c2[C@H]3C[C@@H](C(=O)c2c1Nc1ccccc1)C3(C)C |r,TLB:17:16:27:14,THB:11:12:27:14|
CC(=O)Nc1cc(ncn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CC(=O)Nc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC(=O)O\N=C1/CC(C)(C)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
CC(=O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C(F)(F)F
CC(C)(C#N)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(C)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CC(C)(C)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CC(C)(C)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CC(C)(C)NC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(C)NC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(C)OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CC(C)(C)OC(=O)N1CC(C1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(C)OC(=O)N1CC(CNc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)C1
CC(C)(C)OC(=O)N1CCCC1C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:15.16|
CC(C)(C)OC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CC(C)(C)OC(=O)NCCOCCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
CC(C)(C)OC(=O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC(C)(C)OC(=O)n1ccc2c1CC(C)(C)CC2=O
CC(C)(C)Oc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:14|
CC(C)(C)[Si](C)(C)OC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CC(C)(C)[Si](C)(C)OCCn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
CC(C)(C)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC(C)(C)n1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CC(C)(C)n1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(CF)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(CO)C(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CC(C)(CO)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(CO)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
CC(C)(F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CC(C)(F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CCCC1 |w:17.18,17.34|
CC(C)(F)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(F)C(=O)Nc1cc(ccn1)-c1[nH]c2C[C@]3(C)C[C@@H]3C(=O)c2c1Nc1ccccc1 |r|
CC(C)(O)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)(O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
CC(C)(O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:4.3|
CC(C)(O)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CC(C)(O)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CC(C)(O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
CC(C)(O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
CC(C)(O)c1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
CC(C)C(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
CC(C)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CC(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CC(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)C(=O)Nc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC(C)C1Cc2[nH]c(c(Nc3ccc(F)c(F)c3)c2C(=O)C1)-c1ccnc(N)c1
CC(C)C1Cc2[nH]c(c(Nc3ccc(F)cc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2)c1
CC(C)C1Cc2[nH]c(c(Nc3ccc(F)cc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
CC(C)C1Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(N)c1
CC(C)C1Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2)c1
CC(C)C1Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2)c1
CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CC(C)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CC(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CC(C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:8.8,8.7|
CC(C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:8.7,8.8|
CC(C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:8.7,8.8|
CC(C)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
CC(C)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.6|
CC(C)CNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)N(C(C)C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
CC(C)N(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
CC(C)N(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
CC(C)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
CC(C)NC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CC(C)NC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)Nc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(C)Oc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC(C)Oc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:13|
CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1 |w:7.6|
CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:6.6|
CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)N2CCOCC2)c1 |w:7.6|
CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)NC2CC2)c1 |w:7.6|
CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:6.6|
CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)N(C)C(=O)c1ccc(F)cc1 |w:7.6|
CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.6|
CC(C)S(=O)(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1 |w:6.5|
CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:6.5,3.2|
CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 |w:6.5,3.2|
CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(Cl)cc2)c1 |w:6.5,3.2|
CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:6.5,3.2|
CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:6.5,3.2|
CC(C)SCC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
CC(C)SCC1=NC(NC(C)=O)=C(Nc2ccccc2)C(=O)C1c1cc2CCCCc2[nH]1 |t:5,11|
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:5.4|
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@@H]2F)c1 |r,w:5.4|
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)NC2CC2)c1 |w:5.4|
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 |w:5.4|
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(Cl)cc2)c1 |w:5.4|
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:5.4|
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:5.4|
CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4|
CC(C)[C@@H]1Cc2[nH]c(c(Nc3ccc(F)cc3)c2C(=O)C1)-c1ccnc(N)c1 |r|
CC(C)[n+]1ccc(cc1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CC(C)c1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
CC(C)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC(C)c1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
CC(F)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC(Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1)C(F)F
CC(O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC1(C)CC(=O)C(C(=S)Nc2cccc(Br)c2)=C(C1)NCc1ccnc(N)c1 |c:17|
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1cc(Cl)ncc1F |c:16|
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccnc(Cl)c1Cl |c:16|
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccnc(Cl)c1F |c:16|
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1OCC(F)(F)F |c:16|
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1OCC(F)F |c:16|
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1OCCO |c:16|
CC1(C)CC(=O)c2c(Nc3ccccc3)c([nH]c2C1O)-c1ccncc1
CC1(C)CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC1(C)Cc2[nH]c(c(Nc3cc(Cl)cc(Cl)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cc(Cl)ccc3Cl)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cc(Cl)ccc3F)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cc(F)c(F)c(F)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cc(F)cc(Cl)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cc(F)cc(F)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cc(F)ccc3CO)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cc(ccn3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(Br)cc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(Cc4ccccc4)cc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(Cl)cc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(CO)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(Cl)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(F)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(OC(F)(F)F)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(c3)C#N)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(c3)C(F)(F)F)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(F)cc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(F)cc3CO)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(Oc4ccccc4)cc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)C#N)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)N([O-])=O)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)S(N)(=O)=O)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4[nH]ccc4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4[nH]ncc4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4cc[nH]c4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4ccccc4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4ccoc4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4ccsc4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4cn[nH]c4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4nc[nH]c4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4occc4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccc4sccc4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(Br)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(Cc4ccccc4)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(Cl)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(Cl)c3F)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(F)c1
CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(Nc2cccc(F)c2)c1
CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(c1)C(F)F
CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3CO)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(N)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(O)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(OC(F)(F)F)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(OC(F)F)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(OCCO)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(OCc4ccccc4)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(Oc4ccccc4)c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)-c3ccco3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)-c3cccs3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)-c3ccsc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C#C)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C#N)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C(F)(F)F)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C(N)=O)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C(O)C(F)(F)F)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C3OCCO3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(c3)[N+]([O-])=O)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc(n3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccc4ccccc34)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1c(F)cncc1F |(-5.6,-3.03,;-4.06,-3.03,;-5.15,-4.12,;-2.72,-3.8,;-1.39,-3.03,;.07,-3.51,;.98,-2.26,;.07,-1.02,;.47,.47,;.07,1.96,;1.16,3.05,;.76,4.53,;-.72,4.93,;-1.81,3.84,;-1.41,2.36,;-1.39,-1.49,;-2.72,-.72,;-2.72,.82,;-4.06,-1.49,;2.52,-2.26,;3.29,-.93,;2.52,.4,;4.83,-.93,;5.6,-2.26,;4.83,-3.6,;3.29,-3.6,;2.52,-4.93,)|
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc(Cl)nc(Cl)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc(Cl)ncc1Cl
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc(N)ncn1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc[n+](CC(F)(F)F)cc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc[n+](CC(F)F)cc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc[n+](CCCO)cc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(Br)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(CO)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(Cl)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(F)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)n1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(F)F)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCC(F)(F)F)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCc2ccccc2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCc2ccccn2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCc2cccnc2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@H]2F)c1 |r|
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@H]2C[C@@H]2F)c1 |r|
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@H]2C[C@H]2F)c1 |r|
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cc(F)cc(F)c2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)c(F)c2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccn[nH]2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cnn(Cc3ccccc3)c2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cscn2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2nccs2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC2CCC2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCC(F)(F)F)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCC2CC2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCCC(F)(F)F)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCCCCc2ccccc2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCCCc2ccccc2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCCc2ccccc2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCc2cncs2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NS(C)(=O)=O)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(Nc2cnn(Cc3ccccc3)c2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(O)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(OCc2ccccc2)c1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)C#N
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)C(F)F
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)N1CCC1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)N1CCCC1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)N1CCOCC1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)S(N)(=O)=O
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc2OCCOc12
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc2[nH]ccc12
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc2[nH]cnc12
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc2[nH]ncc12
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1Br
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1C(F)(F)F
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1Cl
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1O
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncn1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnnc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2\C(C1)=N\O)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3-c3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3Br)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3C#N)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3C(N)=O)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3CCO)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3CO)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3Cc3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3Cl)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3F)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccc3Oc3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccccn3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cccnc3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ccnc4ccccc34)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cnc4ccccc4c3)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cncc4ccccc34)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3cnccc3CO)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2[nH]c(c(Nc3ncccc3CO)c2C(=O)C1)-c1ccncc1
CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2CC(F)(F)F)C(=O)C1
CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2CC(F)F)C(=O)C1
CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2CC(N)=O)C(=O)C1
CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2CCO)C(=O)C1
CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2Cc2ccccc2)C(=O)C1
CC1(C)OC[C@H](CNc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)O1 |r|
CC1(C)OC[C@H](O1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
CC1(C)[C@@H]2C[C@H]1C(=O)C(C(=S)Nc1ccccc1)=C2O |r,c:19,TLB:19:18:1:4,THB:7:6:1:4,9:8:1:4|
CC1(C)[C@@H]2C[C@H]1C(=O)c1c(Nc3ccccc3)c([nH]c21)-c1ccnc(NC(=O)C2CC2)c1 |r,TLB:18:19:1:4,THB:7:6:1:4|
CC1(C)[C@@H]2C[C@H]1C(=O)c1c(Nc3ccccc3)c([nH]c21)-c1ccnc(NC(=O)NC2CC2)c1 |r,TLB:18:19:1:4,THB:7:6:1:4|
CC1(C)[C@H]2C[C@@H]1C(=O)c1c(Nc3ccccc3)c([nH]c21)-c1ccnc(N)c1 |r,TLB:7:6:4:1,THB:18:19:4:1|
CC1(C)[C@H]2C[C@@H]1C(NCc1ccnc(N)c1)=C(C(=S)Nc1ccccc1)C2=O |r,t:17,TLB:7:6:1:4,THB:27:26:1:4,17:16:1:4|
CC1(C)[C@H]2C[C@@H]1C(NCc1ccncc1F)=C(C(=S)Nc1ccccc1)C2=O |r,t:17,TLB:7:6:1:4,THB:27:26:1:4,17:16:1:4|
CC1(CC1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC1(CC1)C(=O)Nc1cc(ccn1)-c1[nH]c2c(c1Nc1ccccc1)C(=O)[C@@H]1C[C@]1(C)C2=O |r|
CC1(CO)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccnc(N)c1 |w:1.1,1.0,c:17|
CC1(CO)CC(O)=C(C(=S)Nc2ccccc2)C(=O)C1 |w:1.0,1.1,t:6|
CC1(CO)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
CC1(CO)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CC1(COS(C)(=O)=O)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NS(C)(=O)=O)c1 |w:1.1,1.0|
CC1(Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1)C(O)=O |w:1.28,1.0|
CC1(Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1)C(=O)N1CCCC1 |r,w:1.35,1.0|
CC1(Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1)C(=O)N1CCCCC1 |r,w:1.35,1.0|
CC1(OCCO1)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CC1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CC1CCC(=O)c2c(C1)[nH]c(c2Nc1ccccc1)-c1ccnc(N)c1 |w:1.0|
CC1CCC(=O)c2c(C1)[nH]c(c2Nc1ccccc1)-c1ccnc(NC(C)=O)c1 |w:1.0|
CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CC1Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2C)C(=O)C1
CCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCC(=O)Nc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CCC(O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CCCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCCC(=O)Nc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CCCCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCCN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:7.7,7.6|
CCCN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:7.6,7.7|
CCCN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.6,7.7|
CCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CCCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
CCCNC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCCOc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CCCOc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCCOc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:13|
CCCc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)cc1
CCCc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C(N)=O)n3)c3ccccc23)cc1
CCCn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
CCCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
CCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
CCN(CC)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:7.7,7.6|
CCN(CC)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:7.6,7.7|
CCN(CC)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.6,7.7|
CCN(CC)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CCN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4|
CCNC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CCNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCNC(=O)Nc1cc(ccn1)-c1[nH]c2[C@H]3C[C@@H](C(=O)c2c1Nc1ccccc1)C3(C)C |r,TLB:19:18:29:16,THB:13:14:29:16|
CCNC(=O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CCNC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCOC(=O)C(C)(C)c1cccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c1
CCOC(=O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(OCC)cc2F)c2ccccc12
CCOC(=O)Cc1cccc(Cn2nc(-c3ncc(OC)c(NC4=CCNC=C4)n3)c3ccccc23)c1 |c:27,t:23|
CCOC(=O)c1cnccc1Nc1ccnc(n1)-c1nn(Cc2c(F)cc(OCC)cc2F)c(C2CC2)c1Cl
CCOC(=O)c1cnccc1Nc1nc(ncc1O)-c1nn(Cc2ccccc2F)c2ccccc12
CCOC(=O)c1cnccc1Nc1nc(ncc1OC)-c1nn(Cc2c(F)cc(OCC)cc2F)c(C)c1F
CCOC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
CCOC(=O)c1cnccc1Nc1nc(ncc1Oc1ccccc1C(=O)OCC)-c1nn(Cc2ccccc2F)c2CCCc12
CCOC(C)(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CCO\N=C1/CC(C)(C)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
CCOc1cc(F)c(CN(c2ccncc2)c2nc(ncc2OC)-c2nn(Cc3c(F)cc(OCC)cc3F)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2cc(Cl)c(n2)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2cc(Cl)c(n2)-c2ncc(OC)c(Nc3ccncc3C(=O)NC)n2)c(F)c1
CCOc1cc(F)c(Cn2cc(Cl)c(n2)-c2ncc(OC)c(Nc3ccncc3C(N)=O)n2)c(F)c1
CCOc1cc(F)c(Cn2cc(N(C)C)c(n2)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(O)c(n3)N(C(F)F)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC(F)F)c(Cc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC(F)F)c(n3)N(C(F)F)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4c(F)cncc4F)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4cc[nH]c(=O)c4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3c(C)cccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(OC)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C#N)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C(N)=O)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4CO)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(=O)N4CC(F)(F)C4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(=O)N4CC(F)C4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(F)(F)F)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(O)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(O)CN4CCCCC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4(CO)COC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4CN(CCO4)C(=O)OC(C)(C)C)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4CNCCO4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN(C)C)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN4CCOCC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCNC(=O)OC(C)(C)C)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCO)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCOC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCOCCO)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCS(C)(=O)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCS(C)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCSC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 |r|
CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 |r|
CCOc1cc(F)c(Cn2nc(-c3nccc(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(=O)C3CCOCC3)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(=O)COC)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(=O)COCCOC)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(C)=O)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(F)F)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(CC3(CO)COC3)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(CCO)c3ccncc3)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(\C(N=C)=N\C(\Nc3ccncc3)=C\OC)c3ccccc23)c(F)c1
CCOc1cc(F)c(Cn2nc(c(Br)c2C)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(C#N)c2C)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(C)c2Br)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(C)c2C#N)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(Cl)c2C)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(=O)NC)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(=O)NCCO)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(N)=O)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(O)=O)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(F)c2C)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(F)c2C)-c2ncc(OC)c(Nc3ccncc3C(=O)NC)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c(F)c2C)-c2ncc(OC)c(Nc3ccncc3C(N)=O)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OCC3(CO)COC3)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OCCN(C)C)c(Nc3ccncc3)n2)c(F)c1
CCOc1cc(F)ccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
CCOc1cc(O)c(Cn2nc(-c3ncc(OC)c(Nc4cc(C)nc(C)c4)n3)c3ccccc23)c(F)c1
CCOc1ccc(CN(c2ccncc2)c2nc(ncc2OC)-c2nn(Cc3ccc(OCC)c(F)c3F)c3ccccc23)c(F)c1F
CCOc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1F
CCOc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CCOc1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
CCOc1cnccc1-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:6.5|
CCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.5|
CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:4.3|
CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
CCc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
CCc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CCc1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
CCn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccnc(NC(C)=O)c1
CCn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
CCn1c2CC(CO)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1 |w:5.5|
CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1Cl |(-1.39,-4.42,;-.3,-3.33,;-.7,-1.84,;-2.16,-1.37,;-3.49,-2.14,;-4.83,-1.37,;-4.83,.17,;-3.49,.94,;-3.49,2.48,;-2.16,.17,;-.7,.65,;-.3,2.14,;1.19,2.53,;2.28,1.45,;3.77,1.84,;4.16,3.33,;3.08,4.42,;1.59,4.02,;.21,-.6,;1.75,-.6,;2.52,.74,;4.06,.74,;4.83,-.6,;4.06,-1.93,;2.52,-1.93,;1.75,-3.27,)|
CN(C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C(C)(C)C |w:4.3|
CN(C(C)=O)c1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1
CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1
CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:5.4,5.5|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1 |w:5.4,28.32|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@H]2F)c1 |r,w:5.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:5.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:5.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:3.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:5.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC(F)F |w:5.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 |w:5.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCCO |w:5.4|
CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccn3)c2C(=O)C1)-c1ccncc1 |w:5.4|
CN(C)C(=O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
CN(C)C(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
CN(C)C1CCN(CC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)CC1 |w:8.7|
CN(C)CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CN(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
CN(C)CCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.8|
CN(C)CCN(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CN(C)CCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
CN(C)CCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(F)cc2)c2ccccc12
CN(C)CCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
CN(C)CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.6|
CN(C)C\C=C\C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
CN(C)[C@@H]1CCN(C1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:10.10,10.11|
CN(C)[C@@H]1CCN(C1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |r,w:10.10,10.11|
CN(C)c1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
CN(C1CCC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.8|
CN(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C(=O)OC(C)(C)C
CN(CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C(=O)OC(C)(C)C
CN(CC(C)(C)C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:9.8,9.9|
CN(CC(C)(C)C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
CN(CC(C)(C)O)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.8|
CN(CC(F)(F)F)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.8|
CN(CC(F)F)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
CN(CC1(O)CCC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:10.10|
CN(CC1CC1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:8.9,8.8|
CN(CC1CC1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:8.8,8.9|
CN(CC1CC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.8|
CN(CCC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C(=O)OC(C)(C)C |w:7.6|
CN(CCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C(=O)OC(C)(C)C
CN(CCC(F)(F)F)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:10.10,10.9|
CN(CCC(F)(F)F)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:10.9,10.10|
CN(CCC(F)(F)F)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:10.9|
CN(CCN1CCCC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:11.11|
CN(CCN1CCOCC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:12.12|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@H]2F)c1 |r,w:7.6|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:7.6|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:7.6|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:5.6|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:7.6|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC(F)F |w:7.6|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 |w:7.6|
CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCCO |w:7.6|
CN1C(CCC1=O)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CN1CC2CC1CN2C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:10.11,10.12,THB:8:7:4:2.1|
CN1CCCC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CN1CCN(CC1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:9.9,9.10|
CN1CCN(CC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.9|
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
CN1CCN(CC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)CC1 |w:6.5|
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
CNC(=O)c1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
CNC(=O)c1ccc(Cl)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c1Cl
CNC(=O)c1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(Cl)c1
CNC(=O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
CNC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CNC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CNC(C)(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CNCCC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CNCCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CNCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
CNCCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
CN[C@@H](C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
CN[C@H](C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
CNc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CNc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
COC(=O)C1CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccnc(N)c1 |w:4.3,c:18|
COC(=O)C1CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1F |w:4.3,c:18|
COC(=O)C1CC(O)=C(C(=S)Nc2ccccc2)C(=O)C1 |w:4.3,t:7|
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1 |w:4.3,27.31|
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@H]2F)c1 |r,w:4.3|
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:4.3|
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:4.3|
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:4.3|
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OC
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC(F)F
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1
COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCCO
COC(=O)C1Cc2[nH]c(c(Nc3ccccn3)c2C(=O)C1)-c1ccncc1
COC(=O)CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
COC(=O)C[n+]1ccc(cc1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
COC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
COC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1cccc(F)c1
COC(=O)Nc1cc(ccn1)-c1[nH]c2[C@H]3C[C@@H](C(=O)c2c1Nc1ccccc1)C3(C)C |r,TLB:18:17:28:15,THB:12:13:28:15|
COC(=O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
COC(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
COC(=O)c1ccc(CN(c2ccncc2)c2nc(ncc2OC)-c2nn(Cc3ccc(cc3Cl)C(=O)OC)c3ccccc23)c(Cl)c1
COC(=O)c1ccc(Cl)c(Cn2nc(-c3ncc(OC)c(NC4=CCNC=C4)n3)c3ccccc23)c1Cl |c:26,t:22|
COC(=O)c1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(Cl)c1
COC(=O)c1cnccc1Nc1nc(ncc1OC)-c1nn(Cc2ccccc2F)c2ccccc12
COC(C)(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
COC(C)(C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:10.9,10.10|
COC(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
COC(C)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
COC1=C(N\C=C\C=N/C=C)NC(N=C1)c1nn(Cc2ccc(F)c(OC)c2Cl)c2ccccc12 |c:2,13|
COC1=C(N\C=C\C=N/C=C)NC(N=C1)c1nn(Cc2ccc(cc2F)C#N)c2ccccc12 |c:2,13|
COCC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
COCC(C)(C)N(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:10.9|
COCCC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.7|
COCCN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:8.7,8.8|
COCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
COCCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
COCCNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
COCCOC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)C |w:15.31|
COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)CCO |w:15.31|
COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)OC
COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(O)=O |w:15.31|
COCCOc1cnccc1-c1[nH]c2CC(CC=C)CC(=O)c2c1Nc1ccccc1 |w:15.16|
COCCOc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:14|
COCCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.7|
COCCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:6.5|
COC[C@H](C)N(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
COC[C@H](C)N(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:9.8|
COCc1noc(COc2cnc(nc2Nc2ccncc2)-c2nn(Cc3ccccc3F)c3ccccc23)n1
CO[C@@H](C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
CO\C=C(/Nc1ccncc1)\N=C(/N=C)c1nn(Cc2c(F)c(F)c(OCC(F)(F)F)c(F)c2F)c2ccccc12
CO\C=C(/Nc1ccncc1)\N=C(/N=C)c1nn(Cc2cc(F)ccc2Cl)c2ccccc12
CO\N=C1/CC(C)(C)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
COc1cc(Cn2nc(-c3ncc(OC)c(NC4=CCNC=C4)n3)c3ccccc23)cc(OC)c1 |c:21,t:17|
COc1cc(F)ccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
COc1cc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)ccc1F
COc1cc(SCC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccnc(NC(C)=O)c2)ccc1F |w:6.6|
COc1cc(ccc1Cn1nc(-c2ncc(OC)c(Nc3ccncc3)n2)c2ccccc12)C(F)(F)F
COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(CS(=O)(=O)C(C)C)CC(=O)c2c1Nc1ccccc1 |w:23.24|
COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSC(C)C)CC(=O)c2c1Nc1ccccc1 |w:22.24|
COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2c(c1Nc1ccccc1)C(=O)[C@H]1C[C@@]1(C)C2=O |r|
COc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
COc1ccc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
COc1ccc(Cn2cc(cn2)C(=O)Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cc1
COc1ccc(Cn2cc(cn2)C(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
COc1ccc(Cn2nc(-c3ncc(O)c(Nc4ccncc4)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4cc(F)nc(F)c4)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4cc[nH]c(=O)c4)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccnc(C)c4)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccnc(F)c4)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(Cl)c1
COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C(F)(F)F)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4F)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OC4CC4)c(Nc4ccncc4)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3ncc(OCC(F)(F)F)c(Nc4ccncc4)n3)c3ccccc23)cc1
COc1ccc(Cn2nc(-c3nccc(Nc4ccncc4)n3)c3ccccc23)cc1
COc1ccc(F)c(CN(\N=C\c2ncc(OC)c(Nc3ccncc3)n2)c2ccccc2)c1F
COc1ccc(F)c(CN(c2ccncc2)c2nc(ncc2OC)-c2nn(Cc3c(F)ccc(OC)c3F)c3ccccc23)c1F
COc1ccc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c1F
COc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c(OC)c1
COc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
COc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1OC
COc1ccc(OC)c(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
COc1ccc(SCC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccnc(NC(C)=O)c2)cc1 |w:7.7|
COc1ccc(cc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2C[C@@]3(C)C[C@H]3C(=O)c2c1Nc1ccccc1 |r|
COc1ccc(cc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2C[C@]3(C)C[C@@H]3C(=O)c2c1Nc1ccccc1 |r|
COc1cccc(F)c1Cn1nc(-c2ncc(OC)c(Nc3ccncc3)n2)c2ccccc12
COc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
COc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1OC
COc1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
COc1cnc(\C=N\N(Cc2ccc(cc2Cl)C(=O)OC(C)(C)C)c2ccccc2)nc1Nc1ccncc1
COc1cnc(nc1)-c1nn(Cc2c(F)c(F)c(OC)c(F)c2F)c2ccccc12
COc1cnc(nc1)-c1nn(Cc2c(F)cccc2F)c2ccccc12
COc1cnc(nc1N(C)c1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
COc1cnc(nc1N(Cc1c(Cl)cc(OC(F)(F)F)cc1Cl)\C=C\C=N/C=C)-c1nn(Cc2c(Cl)cc(OC(F)(F)F)cc2Cl)c2ccccc12
COc1cnc(nc1N(Cc1c(Cl)cccc1Cl)c1ccncc1)-c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12
COc1cnc(nc1N(Cc1c(F)c(F)c(OCC(F)(F)F)c(F)c1F)c1ccncc1)-c1nn(Cc2c(F)c(F)c(OCC(F)(F)F)c(F)c2F)c2ccccc12
COc1cnc(nc1N(Cc1c(F)cc(F)cc1F)c1ccncc1)-c1nn(Cc2c(F)cc(F)cc2F)c2ccccc12
COc1cnc(nc1N(Cc1c(F)cc(OC(F)F)cc1F)c1ccncc1)-c1nn(Cc2c(F)cc(OC(F)F)cc2F)c2ccccc12
COc1cnc(nc1N(Cc1c(F)cccc1F)c1ccncc1)-c1nn(Cc2c(F)cccc2F)c2ccccc12
COc1cnc(nc1N(Cc1ccc(C)c(F)c1F)c1ccncc1)-c1nn(Cc2ccc(C)c(F)c2F)c2ccccc12
COc1cnc(nc1N(Cc1ccc(cc1F)C#N)c1ccncc1)-c1nn(Cc2ccc(cc2F)C#N)c2ccccc12
COc1cnc(nc1N(Cc1ccccc1Br)c1ccncc1)-c1nn(Cc2ccccc2Br)c2ccccc12
COc1cnc(nc1N(Cc1ccccc1Cl)c1ccncc1)-c1nn(Cc2ccccc2Cl)c2ccccc12
COc1cnc(nc1N(c1ccncc1)c1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
COc1cnc(nc1NC1=CCNC=C1)-c1nn(Cc2c(Cl)ccc(c2Cl)C(F)(F)F)c2ccccc12 |c:14,t:10|
COc1cnc(nc1NC1=CCNC=C1)-c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 |c:14,t:10|
COc1cnc(nc1NC1=CCNC=C1)-c1nn(Cc2ccc(F)cc2)c2ccccc12 |c:14,t:10|
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)cc(OC(F)(F)F)cc2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(=O)N(C)C)c2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(=O)NCCO)c2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(N)=O)c2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(O)=O)c2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C)c2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(CO)c2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(N)c2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(NC(C)=O)c2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(c2Cl)C(C)(C)O)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(c2Cl)[N+]([O-])=O)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)cccc2C(F)(F)F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(Br)cc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(Br)cc2OCC(F)(F)F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(F)cc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(OC(F)F)cc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(OCCOC(C)=O)cc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(\C=C\C)cc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C#N)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C(C)=O)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C(N)=O)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C2CC2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)ccc(C)c2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(OCC(F)(F)F)cc(Br)cc2OCC(F)(F)F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cc(C)c(C)cc2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cc3OCOc3cc2Br)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(C)c(F)c2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(CC(O)=O)cc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(I)cc2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(I)cc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(SC(F)(F)F)cc2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)-n2cccn2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)C#N)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)S(=O)(=O)N2CCOCC2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)S(=O)(=O)NC2CC2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)S(F)(F)(F)(F)F)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2Cl)C(C)(C)O)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2Cl)C(O)=O)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2F)C#C)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc3CC(=O)Oc3c2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc3CCC(=O)Nc3c2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc3c(C)cc(=O)oc3c2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(CC(C)(C)O)c2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(CCO)c2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(SC(F)(F)F)c2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(c2)-c2noc(C)n2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(c2)-n2cccc2)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(c2)C#N)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(c2)C(C)(C)CO)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc3OCCCOc23)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2Br)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2C#N)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2Cl)c2ccccc12
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1C#N)-c1nn(Cc2ccccc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1C(N)=O)-c1nn(Cc2c(F)cc(O)cc2F)c2ccccc12
COc1cnc(nc1Nc1ccncc1C(N)=O)-c1nn(Cc2ccccc2F)c2ccccc12
COc1cnccc1-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
COc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)C |w:12.28|
COc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)CCO |w:12.28|
COc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(O)=O |w:12.28|
COc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CS(=O)(=O)CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CS(=O)(=O)CCOc1cnc(nc1Nc1ccncc1C(N)=O)-c1nn(Cc2ccccc2F)c2CCCc12
CS(=O)(=O)CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
CS(=O)(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
CS(=O)(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CS(=O)(=O)OCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
CS(=O)c1cnccc1-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CSCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CSCCNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
CSc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
CSc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:11|
C[C@@H](CO)N(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.7|
C[C@@H](CO)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
C[C@@H](N(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
C[C@@H](O)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:7.6|
C[C@@H](O)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.7|
C[C@@H](O)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:7.6|
C[C@@H]1CCC(=O)c2c(C1)[nH]c(c2Nc1ccccc1)-c1ccnc(NC(C)=O)c1 |r|
C[C@@]12C[C@@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)C2(F)CC2)c1 |r|
C[C@@]12C[C@@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r|
C[C@@]12C[C@@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)c2cc[nH]n2)c1 |r|
C[C@@]12C[C@@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccncc1 |r|
C[C@@]12C[C@@H]1C(=O)c1c(Nc3ccccc3)c([nH]c1C2=O)-c1ccnc(NC(=O)C2(F)CC2)c1 |r|
C[C@@]12C[C@@H]1C(=O)c1c(Nc3ccccc3)c([nH]c1C2=O)-c1ccnc(NC(=O)C2CC2)c1 |r|
C[C@H](CO)N(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.7|
C[C@H](CO)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
C[C@H](N)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:7.6|
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:13.13|
C[C@H](O)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:6.6|
C[C@H](O)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:7.6|
C[C@H](O)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.7|
C[C@H](O)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:5.6|
C[C@H]1CN(C[C@@H](C)O1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |r,w:10.10,10.11|
C[C@]12C[C@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)C2(F)CC2)c1 |r|
C[C@]12C[C@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)c2c(F)cccc2F)c1 |r|
C[C@]12C[C@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccncc1 |r|
Cc1c(Cl)cccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
Cc1cc(CC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)on1
Cc1cc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)no1
Cc1cc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)on1
Cc1cc(F)cc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
Cc1cc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)ccc1F
Cc1cc(OCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)no1
Cc1cc(cc(C)n1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Cc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Cc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Cc1ccc(=O)c2c(Nc3ccccc3)c([nH]c2c1)-c1ccnc(N)c1
Cc1ccc(CO)c(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
Cc1ccc(Cl)cc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
Cc1ccc(F)c(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
Cc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c(CO)c1
Cc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
Cc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1Cl
Cc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
Cc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1CO
Cc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1F
Cc1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
Cc1cnc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)o1
Cc1cnccc1-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Cc1ncsc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Cc1nnc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)o1
Cc1nnc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)s1
Cc1noc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)n1
ClCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
ClCCNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Clc1cc(CNC2=C(C(=S)Nc3ccccc3)C(=O)CCC2)cc(Cl)n1 |c:6|
Clc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Clc1sccc1OCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Cn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
Cn1c2CC(CO)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1 |w:4.4|
Cn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
Cn1cc(NC(=O)Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cn1
Cn1cc(NC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cn1
Cn1cc(Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cn1
Cn1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Cn1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2c(c1Nc1ccccc1)C(=O)[C@H]1C[C@@]1(C)C2=O |r|
Cn1cccc1C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.10|
Cn1ccnc1CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Cn1ccnc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Cn1nccc1-c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
Cn1nccc1C(=O)Nc1cc(ccn1)-c1[nH]c2C[C@]3(C)C[C@@H]3C(=O)c2c1Nc1ccccc1 |r|
Cn1nccc1CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Cn1nccc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Cn1ncnc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Cn1nnnc1Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)(F)C(F)(F)COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)(F)C1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)(F)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
FC(F)(F)CCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
FC(F)(F)CCNc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)(F)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
FC(F)(F)CNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)(F)CNC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)(F)COc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)(F)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
FC(F)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.6|
FC(F)CNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)COc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC(F)c1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC1(CC1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FC1(F)CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
FCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
FCCOC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
F[C@@H]1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
F[C@H]1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
Fc1cc(-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)c(F)cn1
Fc1cc(F)cc(c1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Fc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
Fc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Fc1ccc(CNc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
Fc1ccc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
Fc1ccc(NC(=O)NCC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)cc1Cl |w:10.9|
Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccnc(NC(=O)C3CC3)c2)cc1
Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccnc(NC(=O)C3CC3)c2)cc1F
Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccncc2)cc1
Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccncc2)cc1F
Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccncc2Cl)cc1
Fc1ccc(OCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
Fc1ccc(\C=C\C2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)cc1 |w:7.6|
Fc1ccc(cc1)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:10.11|
Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Fc1ccc(cc1)S(=O)(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:12.12|
Fc1ccc(cc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Fc1cccc(Nc2c([nH]c3CC(CC(=O)c23)C(F)(F)F)-c2ccncc2)c1
Fc1cccc(Nc2c([nH]c3CC(CC(=O)c23)C(F)(F)F)-c2ccncc2Cl)c1
Fc1cccc(Nc2c([nH]c3CCCC(=O)c23)-c2c(F)cncc2F)c1 |(-.3,5.37,;-1.07,4.03,;-2.61,4.03,;-3.38,2.7,;-2.61,1.37,;-1.07,1.37,;-.3,.03,;-.7,-1.45,;.21,-2.7,;-.7,-3.95,;-2.16,-3.47,;-3.49,-4.24,;-4.83,-3.47,;-4.83,-1.93,;-3.49,-1.16,;-3.49,.38,;-2.16,-1.93,;1.75,-2.7,;2.52,-1.37,;1.75,-.03,;4.06,-1.37,;4.83,-2.7,;4.06,-4.03,;2.52,-4.03,;1.75,-5.37,;-.3,2.7,)|
Fc1cccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccnc(NC(=O)C3CC3)c2)c1
Fc1cccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccnc(c2)N(C(=O)C2CC2)C(=O)C2CC2)c1
Fc1cccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccncc2)c1
Fc1cccc(Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)c1
Fc1cccc(OCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)c1
Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Fc1ccccc1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Fc1ccccc1Cn1nc(-c2ncc(C#N)c(Nc3ccncc3)n2)c2ccccc12
Fc1ccccc1Cn1nc(-c2ncc(OCCc3nnn[nH]3)c(Nc3ccncc3)n2)c2ccccc12
Fc1ccccc1Cn1nc(-c2ncc(OCCc3nnn[nH]3)c(n2)N(CCc2nnn[nH]2)c2ccncc2)c2ccccc12
Fc1ccccc1Cn1nc(-c2ncc(OCc3nnn[nH]3)c(Nc3ccncc3)n2)c2ccccc12
Fc1ccccc1Cn1nc(-c2ncc(Oc3ccncc3C#N)c(Nc3ccncc3C#N)n2)c2ccccc12
Fc1ccccc1Cn1nc(-c2nccc(Nc3ccncc3)n2)c2ccccc12
Fc1ccccc1OCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Fc1cnccc1-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:3.2|
NC(=O)CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
NC(=O)c1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
NC(=O)c1cnccc1N(CCO)c1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2CCCc12
NC(=O)c1cnccc1Nc1nc(ncc1O)-c1nn(Cc2ccccc2F)c2ccccc12
NC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:1.0|
NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:2.1|
NS(=O)(=O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Nc1cc(CNC2=C(C(=S)Nc3ccc(F)cc3)C(=O)CCC2)ccn1 |c:6|
Nc1cc(CNC2=C(C(=S)Nc3ccccc3)C(=O)CC(CO)C2)ccn1 |w:20.21,c:6|
Nc1cc(ccn1)-c1[nH]c2CC(CO)CC(=O)c2c1Nc1ccccc1
Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccc(F)c(F)c1
Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1cccc(F)c1
Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
O=C(C1CC1)N(C(=O)C1CC1)c1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)N1CCC1 |w:2.1|
O=C(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)N1CCCC1 |w:2.1|
O=C(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)N1CCCCC1 |w:2.1|
O=C(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)N1CCOCC1 |w:2.1|
O=C(CC1CC1)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.7|
O=C(CC1CC1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(CCCc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(CCc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(CN1CCCC1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(COCC#C)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(COCC1CCCCO1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(COCc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(COCc1ccco1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(COc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(COc1ccccn1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(COc1ccon1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(COc1ccsc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Cc1cc[nH]c1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Cc1ccc[nH]1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Cc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Cc1ccco1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Cc1cccs1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Cc1cscn1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Cc1nccs1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(NC1CC1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CC1 |w:3.2|
O=C(NCC1CC1)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.7|
O=C(NCC1CCCO1)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:11.11,3.3|
O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CC1 |w:4.3|
O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CCC1 |w:4.3|
O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CCCN1 |w:4.3|
O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CCOCC1 |w:3.3|
O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)NC1CC1 |w:4.3|
O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)NCc1ccco1 |w:4.3|
O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)c1ccco1 |w:3.3|
O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)c1nccs1 |w:3.3|
O=C(NCc1ccco1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1)C1CC1
O=C(Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1)c1cocn1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1(CC1)C#N
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CC1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CC1c1ccccc1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CCC(=O)N1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CCC1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CNC1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccccc1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccccn1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cccnc1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccn[nH]1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccncc1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccns1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccsn1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cnco1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cncs1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cnn(Cc2ccccc2)c1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cnn[nH]1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cocn1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cscn1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ncc[nH]1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1nccs1
O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1nnn[nH]1
O=C(Nc1ccccn1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C(Nc1ccncc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
O=C1CC(CN2CCOCC2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |w:3.3|
O=C1CC(CS(=O)(=O)c2nc3ccccc3s2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |w:3.3|
O=C1CC(CSc2nc3ccccc3s2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |w:3.3|
O=C1CC(Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1)c1ccccc1
O=C1CC2(CC2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
O=C1CC2(CCC2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
O=C1CCC=Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |c:4|
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NC(=S)NC2CC2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NC(=S)NC2CCCC2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NC(=S)NCC2CC2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCC2CC2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCCCCc2ccccc2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCCCc2ccccc2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCCc2ccccc2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2ccccc2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2cccnc2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2ccncc2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2cncs2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2cscn2)c1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1C#N
O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1OCC1CC1
O=C1CCCc2[nH]c(c(Nc3ccccn3)c12)-c1ccncc1
O=C1[C@@H]2C[C@@H]2Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |r|
O=C1[C@H]2C[C@H]2Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |r|
O=c1ccccc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1 |w:3.2,26.30|
OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:3.2|
OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:3.2|
OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:3.2|
OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:3.2|
OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC(F)F |w:3.2|
OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 |w:3.2|
OC(=O)C1Cc2[nH]c(c(Nc3ccccn3)c2C(=O)C1)-c1ccncc1 |w:3.2|
OC(=O)CCC=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6,5.4|
OC(=O)CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
OC(=O)CNc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
OC(=O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
OC(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@H]2F)c1 |r|
OC(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
OC(=O)c1cnccc1Nc1nc(ncc1O)-c1nn(Cc2ccccc2F)c2ccccc12
OC1(CNC(=O)C2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)CC1 |w:6.5|
OC1(CNC(=O)C2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)CCC1 |w:6.5|
OC1=C(C(=S)Nc2ccccc2)C(=O)CC(C1)C(=O)Nc1ccccc1 |w:15.18,c:1|
OC1=C(C(=S)Nc2ccccc2)C(=O)CC(COCc2ccccc2)C1 |w:16.16,c:1|
OC1CCC(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccncc1
OC1CN(C1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.7|
OC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:1.0|
OCC(O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
OCC1(COc2cnc(nc2N(CC2(CO)COC2)c2ccncc2)-c2nn(Cc3ccccc3F)c3ccccc23)COC1
OCC1(COc2cnc(nc2Nc2ccncc2)-c2nn(Cc3ccccc3F)c3ccccc23)COC1
OCC1CC(O)=C(C(=S)Nc2ccccc2)C(=O)C1 |w:2.1,t:5|
OCC1COc2cnc(nc2N1c1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
OCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
OCCCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
OCCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
OCCOC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
OCCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
OCCOc1cnc(nc1Nc1ccncc1C(O)=O)-c1nn(Cc2ccccc2F)c2ccccc12
OCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(O)=O |w:14.30|
OCCOc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
OC[C@@H](O)CNc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
OC[C@@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12 |r|
OC[C@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12 |r|
O[C@@H]1CCN(C1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.8|
O[C@H]1CCN(C1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.8|
Oc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(F)cc2)c2ccccc12
Oc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
Oc1cnc(nc1Nc1ccncc1C#N)-c1nn(Cc2ccccc2F)c2ccccc12