1454 SMILES Strings for MAP kinase-interacting serine/threonine-protein kinase 1

Compound Name
SMILES String
O=C1NCCc2[nH]c(cc12)-c1ccncc1
O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCOc1cc(ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(N)=O
COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12)C(=O)NCCN1CCOCC1
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(nc3OC3CCOCC3)C(F)(F)F)c2c1C
Fc1ccc(Nc2ncnc3sc4CNCCc4c23)c(OC2CCOCC2)c1
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4ncon4)CC3)c12)C(N)=O
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12)C(N)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)N=S1(=O)CCCC1
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)(C)O
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(F)(F)F |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCc3ccon3)c12)N=S(C)(C)=O
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC(C(F)(F)F)C(F)(F)F |r|
CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(C)(C)O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](CNC(=O)C(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCNC(=O)N1CCS(=O)(CC1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F |r|
CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C
O=C1NC2(CCCC2)n2c1ccc(Nc1ccncn1)c2=O
CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC(C)C1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C1CCCC1
CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(F)cc1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cccc(F)c1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(Cl)cc1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C(F)(F)F
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccsc1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cccc(Cl)c1
CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1ccc(Nc3ccncn3)c(=O)n21
O=C(Nc1cc(Nc2ccc3C(=O)NC4(CCCC4)n3c2=O)ncn1)C1CC1
CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C1CCCC1
CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C(F)(F)F
O=C(OCc1ccccc1)N1CCC2(C1)NC(=O)c1ccc(Nc3ccncn3)c(=O)n21
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(F)cc(F)c1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(F)cc(Cl)c1
CC(C)C1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(F)c1
CC1(NC(=O)c2ccc(Nc3cc(\C=C\C4CC4)ncn3)c(=O)n12)C(F)(F)F
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(Cl)cc(Cl)c1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccccn1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)C(F)(F)F
CC1(C)CCCC11NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(NC(=O)c2ccc(Nc3ncnc4[nH]c(cc34)C3CC3)c(=O)n12)C(F)(F)F
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCC1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCC1
CC1(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C1CCCC1
CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)C1CCCC1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C(F)(F)F
FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(F)c1
Clc1ccc2C(=O)NC3(CCC[C@@H](C3)N3C(=O)c4ccccc4C3=O)n2c1=O |r|
CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccc(F)c1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccc(Cl)c1
CC1(NC(=O)c2ccc(Nc3cc(NC(C4CC4)C(F)(F)F)ncn3)c(=O)n12)C(F)(F)F
CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCOCC1
FC1(F)CC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
CC1(C)CCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCOCC1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CSC1
FC1CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
CC1(C)NC(=O)c2c(cc(Nc3ccncn3)c(=O)n12)C1CC1
CC1(C)NC(=O)c2c(F)cc(Nc3ccncn3)c(=O)n12
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCOCC4)n3c2=O)ncn1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccnc1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccncc1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1ccccn1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1ccncc1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccn1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccnc1
FC1CCCCC11NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(c1)C(F)(F)F
COc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
CSc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
Cc1cccc(c1)C1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC(C)(C)C1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
FC(F)(F)C1NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC(C)(C)OC(=O)N1CC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
CNc1cc(Nc2cc(Cl)c3C(=O)NC(C)(c4cccc(Cl)c4)n3c2=O)ncn1
Cc1cccc(n1)C1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
Fc1cccc(c1)C1NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(Cl)c1
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CS(=O)C1
CC1(C)CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccc1
Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCC1
CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4cc(ncc34)C3CC3)c(=O)n12
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1
Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC(C)(n3c2=O)C(C)(C)C)ncn1
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCN(CC1)C(=O)OC(C)(C)C
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCN(CC4)C(=O)OC(C)(C)C)n3c2=O)ncn1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCc5ccc(Cl)cc45)n3c2=O)ncn1
Fc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21Cc2ccccc2C1=O
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCc5ccc(F)cc45)n3c2=O)ncn1
Clc1cc(Nc2ncncc2Cl)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
C[Si](C)(C)CCOCn1cnc2ncnc(Nc3cc(Cl)c4C(=O)NC5(CCCCC5)n4c3=O)c12
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CNCNC4)n3c2=O)ncn1
Clc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCCC1
CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)OC(C)(C)C)ncn3)c(=O)n21
CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CN1CCCC2(C1)NC(=O)c1c(C)cc(Nc3ccncn3)c(=O)n21
O=c1c(Nc2ccncn2)ccc2C(=S)NC3(CCCCC3)n12
Clc1cc(Nc2ncncc2C#N)c(=O)n2c1C(=O)NC21CCCCC1
Cn1cc(cn1)-c1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
CC(C)C(=O)N(COCC[Si](C)(C)C)c1ncnc2n(COCC[Si](C)(C)C)nnc12
CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4cnccc34)c(=O)n12
CN1CCCC2(C1)NC(=O)c1c(C)cc(Nc3cc(NC(=O)OC(C)(C)C)ncn3)c(=O)n21
COc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N |r|
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3C#N)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3C#N)c12)N=S(C)(C)=O |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
O[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
CN1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3OCCF)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3OCCF)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CN(C[C@@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1ccccc1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CNC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)S(C)(=O)=O |r|
COc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCCF)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCC(F)F)c12)N=S(C)(C)=O |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
O=C1NCc2cc(Nc3ncnc4[nH]cnc34)ccc12
CN1Cc2cc(Nc3ncnc4[nH]cnc34)ccc2C1=O
O=C1NCc2cc(Nc3ccncn3)ccc12
Clc1cc(Nc2ccc3C(=O)NCc3c2)ncn1
O=C1CCc2cc(Nc3ccncn3)ccc12
Cn1cc(Nc2cc(Nc3ccc4C(=O)NCc4c3)ncn2)cn1
CC1NC(=O)c2ccc(Nc3ccncn3)cc12
O=C1NCCc2cc(Nc3ccncn3)ccc12
CC(=O)Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1
O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1
CC(C)C1NC(=O)c2ccc(Nc3ccncn3)cc12
CC1(C)NC(=O)c2ccc(Nc3ccncn3)cc12
CC1NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
CC1CC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
CC1CNC(=O)c2ccc(Nc3ccncn3)cc12
CC1Cc2cc(Nc3ccncn3)ccc2C(=O)N1
CC1NC(=O)c2ccc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
CC1NC(=O)c2c1cc(Nc1ccncn1)cc2C
CC1NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
CC1(C)NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
O=C1NC(c2ccsc2)c2cc(Nc3ccncn3)ccc12
CC1NC(=O)c2ccc(Nc3ncnc4NCCOc34)cc12
CC1NC(=O)c2ccc(Nc3ncnc4NCCc34)cc12
CC1(CN)NC(=O)c2ccc(Nc3ccncn3)cc12
CC1NC(=O)c2cnc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
CC1(C)NC(=O)c2c1cc(Nc1cc(N)ncn1)cc2Cl
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCCN3CCN(C)C(=O)C3)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCCN3CCCC3)c(C)c12)C(F)(F)F |r|
CCOc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)c(OCCCN3CCOCC3)c(C)c12)C(F)(F)F |r|
COc1c(cc2ncnc(Nc3cc4cn[nH]c4cc3OC(C)C)c2c1C)N=S(C)(C)=O
COc1c(C)c2c(Nc3cccnc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3cc4cn[nH]c4cc3OC(C)C)ncnc2cc1N=S1(=O)CCC1
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCN3CCN(C)C(=O)C3)c(C)c12)C(F)(F)F |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCCC3)c(OC)c(C)c12 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S1(=O)CCCC1 |r,wU:16.16,wD:19.20,(3.48,-1.69,;3.48,-3.23,;2.15,-4,;.82,-3.23,;.82,-1.69,;-.52,-4,;-1.85,-3.23,;-1.85,-1.69,;-3.19,-.92,;-4.52,-1.69,;-5.85,-.92,;-5.85,.62,;-7.19,1.39,;-4.52,1.39,;-3.19,.62,;-1.85,1.39,;-1.85,2.93,;-3.19,3.7,;-3.19,5.24,;-1.85,6.01,;-1.85,7.55,;-.52,5.24,;-.52,3.7,;-3.19,-4,;-3.19,-5.54,;-1.85,-6.31,;-.52,-5.54,;.82,-6.31,;2.15,-5.54,;3.48,-6.31,;4.82,-5.54,;4.82,-4,;4.82,-7.08,;6.28,-7.55,;7.19,-6.31,;6.28,-5.06,)|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC)c(C)c12 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S1(=O)CCC1 |r,wU:16.16,wD:19.20,(3.72,-1.95,;3.72,-3.49,;2.39,-4.26,;1.06,-3.49,;1.06,-1.95,;-.28,-4.26,;-1.61,-3.49,;-1.61,-1.95,;-2.94,-1.18,;-4.28,-1.95,;-5.61,-1.18,;-5.61,.36,;-6.94,1.13,;-4.28,1.13,;-2.94,.36,;-1.61,1.13,;-1.61,2.67,;-2.94,3.44,;-2.94,4.98,;-1.61,5.75,;-1.61,7.29,;-.28,4.98,;-.28,3.44,;-2.94,-4.26,;-2.94,-5.8,;-1.61,-6.57,;-.28,-5.8,;1.06,-6.57,;2.39,-5.8,;3.72,-6.57,;5.06,-5.8,;5.06,-4.26,;5.46,-7.29,;6.94,-6.89,;6.55,-5.4,)|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCC3CC3)c(C)c12)C(F)(F)F |r|
COCCOc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
CC(C)Oc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC3CCOC3)c(C)c12)C(F)(F)F |r|
CCN(CCO)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CCCN(CCO)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CN(C[C@H](O)c1cccc(O)c1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
CCCCN(CCCCO)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CN(CC(O)CO)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CN(CCCO)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CN(CCC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CN(CCC1(O)CCCC1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
COc1cccc2oc(cc12)-c1cnc2ccc(nn12)N(C)C[C@H](O)c1cccc(O)c1 |r|
CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CN(CC(O)c1cccnc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:3.3|
CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
CC(O)CN(C)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.1|
COc1cccc2oc(cc12)-c1cnc2ccc(nn12)N(C)CC(C)O |w:23.28|
OC(CN(C1CC1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |w:1.0|
COc1nccc2oc(cc12)-c1cnc2ccc(nn12)N(C)C(C)CO |w:22.26|
OC(CN(C1CC1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1 |w:1.0|
CC(CO)N(C)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
CC(C)CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:6.6|
CC(C)N(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:5.5|
CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccncc4o3)n2n1 |w:3.3|
CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4cnccc4o3)n2n1 |w:3.3|
COc1nccc2oc(cc12)-c1cnc2ccc(nn12)N(C)CC(O)c1ccccc1 |w:23.27|
CCOc1nccc2oc(cc12)-c1cnc2ccc(nn12)N(C)CC(O)c1ccccc1 |w:24.28|
C(Nc1ccc2ncc(-c3ccncc3)n2n1)c1ccccc1
N(c1ccccc1)c1ccc2ncc(-c3ccncc3)n2n1
C1CCC(CC1)Nc1ccc2ncc(-c3ccncc3)n2n1
N(c1ccncc1)c1ccc2ncc(-c3ccncc3)n2n1
C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1
C(Cc1ccccn1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
CN(C)CCNc1ccc2ncc(-c3cc4ccccc4o3)n2n1
C(Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccncc1
OC[C@H]1C[C@@H](C1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:4.6,wD:2.1,(-6.7,5.12,;-6.7,3.58,;-5.37,2.81,;-4.97,1.32,;-3.48,1.72,;-3.88,3.21,;-2.15,.95,;-.81,1.72,;-.81,3.26,;.52,4.03,;1.86,3.26,;3.32,3.74,;4.23,2.49,;3.32,1.24,;4.09,-.09,;3.18,-1.34,;4.09,-2.58,;3.77,-4.09,;4.91,-5.12,;6.38,-4.64,;6.7,-3.14,;5.55,-2.11,;5.55,-.57,;1.86,1.72,;.52,.95,)|
Clc1ccc2ncc(-c3cc4ccccc4o3)n2n1
O[C@H]1CCC[C@H]1Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
O[C@@H]1CCC[C@H]1Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
O[C@@H]1CCCC[C@@H]1Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
O[C@H]1CCC[C@@H]1Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
O[C@@H]1CCC[C@@H]1Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
O[C@H]1CCCC[C@@H]1Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
O[C@@H]1CCCC[C@H]1Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:1.0,wD:4.7,(-7.09,4.57,;-5.76,3.8,;-4.42,4.57,;-3.09,3.8,;-3.09,2.26,;-4.42,1.49,;-5.76,2.26,;-1.76,1.49,;-.42,2.26,;-.42,3.8,;.91,4.57,;2.25,3.8,;3.71,4.28,;4.62,3.03,;3.71,1.79,;4.48,.45,;3.58,-.79,;4.48,-2.04,;4.16,-3.54,;5.3,-4.57,;6.77,-4.1,;7.09,-2.59,;5.95,-1.56,;5.95,-.02,;2.25,2.26,;.91,1.49,)|
O[C@H]1C[C@@H](C1)Nc1ccc2ncc(-c3cc4cnccc4o3)n2n1 |r,wU:3.5,wD:1.0,(-6.7,4.12,;-5.37,3.35,;-4.97,1.87,;-3.48,2.26,;-3.88,3.75,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.86,3.8,;3.32,4.28,;4.23,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;4.91,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.86,2.26,;.52,1.49,)|
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)N1CCOCC1
CC1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
CC(C)(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCOCC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CNC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCN(CC1)C1CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
OC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC1(N)CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCC2(COC2)CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC(C)(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
Cc1cc(ccc1C(=O)N1CCC(N)CC1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
Cc1cc(ccc1C(=O)N1CCC(C)(N)CC1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
NC1CCN(CC1)C(=O)c1ccc(cc1F)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC1(N)CCN(CC1)C(=O)c1ccc(cc1F)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
NC1CCN(CC1)C(=O)c1ccc(cc1Cl)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC1(N)CCN(CC1)C(=O)c1ccc(cc1Cl)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(c(O)c1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(cc1CO)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
NC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)N1CCC(=O)CC1
CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCNCC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
FC(F)(F)C(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
OC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CC(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CC1(N)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CNC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CCC1(CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1)NC(C)=O
O=C(N1CCNC(=O)C1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1=O)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCC2(CCCCN2)CC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1Cl)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1F)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
COc1cc(ccc1-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc(cc1[N+]([O-])=O)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
[O-][N+](=O)c1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(I)n2n1
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1NC(C)=O)-c1ccc2ncc(I)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4[nH]cnc4c3)n2n1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1
O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)NC1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CCN(CC)C1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN(CC(=O)N1CCOCC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCNC(=O)C1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCC(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC1(O)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CS(=O)(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CCC1(N)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(CNC(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)N1CCOCC1
O=C(NCCN1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCC2(CCCCN2)CC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)N1CCCCC11CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCCCC11CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN(C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)c1ccncc1
NCC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
NCCC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCC(CC1)c1ccncc1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)c1ccccc1
NC(=O)c1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2ccc3ncc(-c4ccc(cc4)C#N)n3c2)cc1
CN1CCN(CC1=O)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Cc1nnc(o1)C1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Cc1cc2ncc(-c3ccc(cc3)C#N)n2cc1-c1ccc(cc1)C(=O)N1CCC(C)(N)CC1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cc1C)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(c(F)c1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1Cl)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1F)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1O)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(c(O)c1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1C(F)(F)F)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1N)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN(C)c1cc(ccc1C(=O)N1CCN(C)CC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1NC(C)=O)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CNc1cc(ccc1C(=O)N1CCN(C)CC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CNc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(c(Cl)c1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Cc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1OC(F)(F)F)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
FC(F)(F)Oc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
OCc1cc(ccc1C(=O)N1CCNCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCOCC1)c1ccc(cc1N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Fc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC1(CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)N1CCOCC1
CN1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)Nc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
OCc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)Nc1cc(ccc1C(=O)N1CCNCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)Nc1cc(ccc1C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
COC1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC1(N)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(Cl)cc3)n2c1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(Cl)cc3)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(I)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
O=C(N1CCCOCC1)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
CC(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
OCc1cc(ccc1C(=O)N1CCOCC1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
N=COCc1cc(ccc1C(=O)N1CCOCC1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
CCc1ccc(cc1)-c1ccc2ncn(-c3ccc(cc3)C#N)c2c1
Clc1cc(Nc2nncs2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncns2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cnns2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncn[nH]2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cncs2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2nnco2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cn[nH]n2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2nccnn2)c(=O)n2c1C(=O)NC21CCCCC1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCc2ccncc2)n1
CCNc1nccc(n1)-c1cnn(c1)-c1cccc(OC)c1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCc2c[nH]cn2)n1
Clc1cccc(c1)-n1cc(cn1)-c1ccnc(NCc2ccncc2)n1
Clc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCc2c[nH]cn2)n1
CCn1cncc1CNc1nccc(n1)-c1cnn(c1)-c1cccc(OC)c1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCN2CCOCC2)n1
CCCn1ncc(c1C)-c1ccnc(NCc2nccn2CC)n1
Cn1cc(cn1)-c1ccnc(NCCN2CCOCC2)n1
Cn1cc(cn1)-c1ccnc(NCCCN2CCCCC2)n1
Cn1cc(cn1)-c1ccnc(n1)N1CCC[C@H]1CO |r|
Cn1cc(cn1)-c1ccnc(NCc2ccc(F)cc2)n1
CN(C)CCNc1nccc(n1)-c1cnn(C)c1
C(CN1CCOCC1)Nc1nccc(n1)-n1ccc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1ccc2ccccc12
C(Cc1cnc[nH]1)Nc1nccc(n1)-n1ccc2ccccc12
C(CN1CCOCC1)Nc1nccc(n1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1cnc2ccccc12
C(Nc1nccc(n1)-c1cnn(c1)C1CCOCC1)c1ccncc1
C(Cc1c[nH]cn1)Nc1nccc(n1)-c1cnn(c1)-c1ccccc1
C(Cc1ccncc1)Nc1nccc(n1)-c1cnn(CCN2CCOCC2)c1
C(Cc1c[nH]cn1)Nc1nccc(n1)-c1cnn(Cc2ccccc2)c1
C(Cc1ccncc1)Nc1nccc(n1)-c1cnn(Cc2ccccc2)c1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCCN2CCOCC2)n1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCc2ccccc2)n1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCc2ccncc2)n1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NC2CCNCC2)n1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NC2CCOC2)n1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCN(C)C)n1
C(Cc1c[nH]cn1)Nc1cc(ccn1)-c1cnn(Cc2ccccc2)c1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(Nc2ccncc2)n1
CN(C)CCNc1nccc(n1)-n1cnc2ccccc12
C1CC(CO1)Nc1nccc(n1)-n1cnc2ccccc12
C1CC(CCN1)Nc1nccc(n1)-n1cnc2ccccc12
N(c1ccncc1)c1nccc(n1)-n1cnc2ccccc12
C(Nc1nccc(n1)-n1cnc2ccccc12)c1ccncc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-n2cnc3ccccc23)cc1
C1CCN(CC1)c1ccc(Nc2nccc(n2)-n2cnc3ccccc23)cc1
C(Cc1ccncc1)Nc1nccc(n1)-c1cn[nH]c1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NC2CCNC2)n1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NC2CCOCC2)n1
C1CC(CN1)Nc1nccc(n1)-n1cnc2ccccc12
N(c1ccc(cc1)-n1cccn1)c1nccc(n1)-n1cnc2ccccc12
NC(=O)c1ccc(Nc2nccc(n2)-n2cnc3ccccc23)cc1
C1CC(CCO1)Nc1nccc(n1)-n1cnc2ccccc12
CNC(=O)c1ccc(Nc2nccc(n2)-n2cnc3ccccc23)cc1
O=C(N1CCNCC1)c1ccc(Nc2nccc(n2)-n2cnc3ccccc23)cc1
COc1cccc(c1)-c1cn(-c2ccnc(NCCc3c[nH]cn3)n2)c2ccccc12
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCc2ccncc2)c1
Clc1cnc(NCCc2cnc[nH]2)nc1-n1cnc2ccccc12
Clc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
COc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)N1CCNc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1cnc2ncccc12
C1CC(CO1)Nc1nccc(n1)-n1cnc2ncccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1cnc2cnccc12
O[C@@H]1CC[C@@H](C1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
OC1CCC(CC1)Nc1nccc(n1)-n1cnc2ccccc12 |(-4.4,-6.25,;-4.01,-4.77,;-5.09,-3.68,;-4.7,-2.19,;-3.21,-1.79,;-2.12,-2.88,;-2.52,-4.37,;-2.81,-.3,;-1.32,.09,;-.23,-.99,;1.25,-.6,;1.65,.89,;.56,1.98,;-.92,1.58,;.96,3.47,;.06,4.71,;.96,5.96,;2.43,5.48,;3.76,6.25,;5.09,5.48,;5.09,3.94,;3.76,3.17,;2.43,3.94,)|
C1CN(CCO1)Nc1nccc(n1)-n1cnc2ccccc12
OC1CCCC1Nc1nccc(n1)-n1cnc2ccccc12
C1C[C@@H](CO1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
C1C[C@H](CO1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
C1OCC1Nc1nccc(n1)-n1cnc2ccccc12
C1COCC(C1)Nc1nccc(n1)-n1cnc2ccccc12
C1CC(CO1)Nc1nccc(n1)-n1cnc2cnccc12
COC1CCC(CC1)Nc1nccc(n1)-n1cnc2ccccc12 |(-3.32,-6.8,;-4.4,-5.71,;-4.01,-4.22,;-5.09,-3.13,;-4.7,-1.65,;-3.21,-1.25,;-2.12,-2.34,;-2.52,-3.82,;-2.81,.24,;-1.32,.64,;-.23,-.45,;1.25,-.05,;1.65,1.44,;.56,2.53,;-.92,2.13,;.96,4.01,;.06,5.26,;.96,6.5,;2.43,6.03,;3.76,6.8,;5.09,6.03,;5.09,4.49,;3.76,3.72,;2.43,4.49,)|
O[C@H]1CC[C@@H](C1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
O[C@H]1CC[C@H](C1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
O[C@@H]1CC[C@H](C1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
C(Cc1ccncc1)Nc1nccc(n1)N1CCOc2ccccc12
C1C[C@@H](CO1)Nc1nccc(n1)N1CCc2ccccc12 |r|
C1C[C@H](CO1)Nc1nccc(n1)N1CCc2ccccc12 |r|
C(Cc1ccncc1)Nc1nccc(n1)N1CCc2ccccc12
Fc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
FC(F)(F)c1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
Fc1cnc(NCCc2ccncc2)nc1-n1ccc2ccccc12
C(Cc1ccncc1)Nc1cc(ncn1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1cc(ncn1)-n1ccc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1c2ccccc2c2ccccc12
C(Cc1cccnc1)Nc1nccc(n1)-n1cnc2ccccc12
C(Cc1cccnc1)Nc1ccnc(n1)-n1cnc2ccccc12
COCCNc1nccc(n1)-n1cnc2ccccc12
N#Cc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
O=C1CCCN1CCCNc1nccc(n1)-n1cnc2ccccc12
O=C1CCCN1CCCNc1ccnc(n1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1ncc2ccccc12
C(Cc1ccncc1)Nc1ccnc(n1)-n1ncc2ccccc12
CC(O)CNc1ccnc(n1)-n1cnc2ccccc12
Nc1ccnc(n1)-n1cnc2ccccc12
OCCNc1nccc(n1)-n1cnc2ccccc12
O=c1oc2ccccc2n1-c1ccnc(NCCc2ccncc2)n1
S=c1oc2ccccc2n1-c1ccnc(NCCc2ccncc2)n1
Clc1cnc(NCCc2c[nH]c3ccccc23)nc1-n1cnc2ccccc12
COC(=O)CNc1ncc(Cl)c(n1)-n1cnc2ccccc12
Clc1cnc(NCCc2cccnc2)nc1-n1cnc2ccccc12
OCCNc1ncc(Cl)c(n1)-n1cnc2ccccc12
NC(=O)CNc1ncc(Cl)c(n1)-n1cnc2ccccc12
Clc1cnc(NCc2cccnc2)nc1-n1cnc2ccccc12
[O-][N+](=O)c1ccc(NCCNc2nccc(n2)-n2cnc3ccccc23)nc1
[O-][N+](=O)c1ccc(NCCNc2ccnc(n2)-n2cnc3ccccc23)nc1
O=C1NCCCCC1Nc1nccc(n1)-n1cnc2ccccc12
O=C1NCCCCC1Nc1ccnc(n1)-n1cnc2ccccc12
CCNC(=O)Nc1nccc(n1)-n1cnc2ccccc12
Nc1cc(nc(NCc2cccnc2)n1)-n1cnc2ccccc12
Brc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
Brc1cnc(NCCc2ccncc2)nc1-n1ccnc1
COC(=O)c1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
Nc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
O=C(NC1CC1)c1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1cccc(n1)-n1cnc2ccccc12
OC(=O)c1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
N#Cc1cnc(NCCc2ccncc2)nc1-n1cncn1
Clc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc12
C1C(Nc2nccc(n2)-n2cnc3ccccc23)C1c1ccccc1
O[C@H]([C@H](Nc1nccc(n1)-n1cnc2ccccc12)c1ccccc1)c1ccccc1 |r|
O[C@@H]([C@@H](Nc1nccc(n1)-n1cnc2ccccc12)c1ccccc1)c1ccccc1 |r|
O[C@H]([C@H](Nc1ccnc(n1)-n1cnc2ccccc12)c1ccccc1)c1ccccc1 |r|
O[C@@H]([C@@H](Nc1ccnc(n1)-n1cnc2ccccc12)c1ccccc1)c1ccccc1 |r|
C(Cc1c[nH]c2ccccc12)Nc1nccc(n1)-n1cnc2ccccc12
C(Cc1c[nH]c2ccccc12)Nc1ccnc(n1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1cc(ccn1)-n1cnc2ccccc12
Oc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(NCCc2ccncc2)nc1-n1cnc(c1)-c1ccccc1
NC(=O)c1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
Nc1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
N#Cc1cnc(NCCc2ccncc2)nc1-n1ccnc1
COC(=O)c1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
CCOC(=O)c1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
Fc1ccc(CCNc2ncc(Cl)c(n2)-n2cnc3ccccc23)cc1
FC(F)(F)c1ccc(CCNc2ncc(Cl)c(n2)-n2cnc3ccccc23)cc1
Clc1cnc(NCCc2ccc(cc2)C#N)nc1-n1cnc2ccccc12
N#Cc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc12
Clc1ccc(Oc2ncc(C#N)c(n2)-n2cnc3ccccc23)cc1
O=C1CCCN1CCOc1ncc(C#N)c(n1)-n1cnc2ccccc12
Brc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCCc2ccccn2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCCN2CCOCC2)nc1-n1cnc2ccccc12
N#Cc1cnc(OC2CCOC2)nc1-n1cnc2ccccc12
N#Cc1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
N#Cc1cnc(Oc2cccnc2)nc1-n1cnc2ccccc12
N#Cc1cnc(OC2CCCOC2)nc1-n1cnc2ccccc12
N#Cc1cnc(nc1OC1CCOCC1)-n1cnc2ccccc12
Cc1cc2ncn(-c3nc(NCCc4ccncc4)ncc3Cl)c2cc1C
O[N+](=O)c1ccc2n(cnc2c1)-c1nc(NCCc2ccncc2)ncc1Cl
COC(=O)c1ccc2n(cnc2c1)-c1nc(NCCc2ccncc2)ncc1Cl
Clc1cnc(NCCc2ccncc2)nc1-n1nnc2ccccc12
N#Cc1cnc(NCCc2ccncc2)nc1-n1nnc2ccccc12
Clc1cnc(OC2CCCOC2)nc1-n1cnc2ccccc12
Clc1cnc(OC2CCOCC2)nc1-n1cnc2ccccc12
Clc1cnc(OC2CCOC2)nc1-n1cnc2ccccc12
Clc1cnc(OCCN2CCOCC2)nc1-n1cnc2ccccc12
Clc1cnc(OCCc2ccccn2)nc1-n1cnc2ccccc12
Clc1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
Clc1cnc(OCCN2CCCC2=O)nc1-n1cnc2ccccc12
N#Cc1cnc(OCc2ccccn2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCc2cccnc2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(OC2CCc3cccnc23)nc1-n1cnc2ccccc12
N#Cc1cnc(nc1OC1CCc2cccnc12)-n1cnc2ccccc12
NC1CC(C1)Oc1ncc(C#N)c(n1)-n1cnc2ccccc12 |(-4.53,5.76,;-4.13,4.27,;-2.8,3.5,;-3.57,2.17,;-4.9,2.94,;-3.17,.68,;-1.69,.28,;-.65,1.42,;.85,1.1,;1.33,-.36,;2.82,-.76,;4.3,-1.16,;.3,-1.51,;-1.21,-1.19,;.77,-2.97,;-.13,-4.22,;.77,-5.46,;2.24,-4.99,;3.57,-5.76,;4.9,-4.99,;4.9,-3.45,;3.57,-2.68,;2.24,-3.45,)|
Cc1ccc2n(cnc2c1)-c1nc(NCCc2ccncc2)ncc1Cl
Cc1ccc2n(cnc2c1)-c1ncc(Cl)c(NCCc2ccncc2)n1
COc1ccc2n(cnc2c1)-c1nc(NCCc2ccncc2)ncc1Cl
Clc1cnc(NCCc2ccncc2)nc1-n1ccc2c(Cl)ncnc12
Clc1cnc(NCCCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(NCCCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(nc1NCCCc1ccncc1)-n1cnc2ccccc12
Clc1cnc(OCCC2CCNCC2)nc1-n1cnc2ccccc12
OC1CC(C1)Nc1ncc(Cl)c(n1)-n1cnc2ccccc12 |(6.16,3.32,;4.83,2.55,;4.43,1.06,;2.94,1.46,;3.34,2.95,;1.61,.69,;.28,1.46,;.28,3,;-1.06,3.77,;-2.39,3,;-3.73,3.77,;-2.39,1.46,;-1.06,.69,;-3.73,.69,;-5.13,1.32,;-6.16,.17,;-5.39,-1.16,;-5.87,-2.63,;-4.84,-3.77,;-3.33,-3.45,;-2.86,-1.99,;-3.89,-.84,)|
NC1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc2ccccc12 |(-4.75,5.68,;-4.27,4.21,;-2.9,3.51,;-3.6,2.14,;-4.97,2.84,;-3.12,.68,;-1.62,.36,;-.59,1.5,;.92,1.18,;1.39,-.28,;2.9,-.6,;.36,-1.43,;-1.14,-1.11,;.84,-2.89,;-.06,-4.14,;.84,-5.38,;2.3,-4.91,;3.64,-5.68,;4.97,-4.91,;4.97,-3.37,;3.64,-2.6,;2.3,-3.37,)|
N#Cc1cnc(OCCc2cccnc2)nc1-n1cnc2ccccc12
NC1CCN(C1)c1ncc(Cl)c(n1)-n1cnc2ccccc12
Clc1cnc(NC2CCNC2)nc1-n1cnc2ccccc12
Clc1cnc(NC2CCN(C2)c2nccn3ccnc23)nc1-n1cnc2ccccc12
CN(C)C1CC(C1)Oc1ncc(Cl)c(n1)-n1c(C)nc2ccccc12 |(-5.61,5.43,;-4.11,5.11,;-3.08,6.25,;-3.63,3.64,;-2.26,2.94,;-2.96,1.57,;-4.33,2.27,;-2.48,.11,;-.98,-.21,;.05,.93,;1.56,.61,;2.04,-.86,;3.54,-1.18,;1.01,-2,;-.5,-1.68,;1.48,-3.46,;.58,-4.71,;-.96,-4.71,;1.48,-5.96,;2.95,-5.48,;4.28,-6.25,;5.61,-5.48,;5.61,-3.94,;4.28,-3.17,;2.95,-3.94,)|
CC1(C)COC(=O)C1Oc1ncc(Cl)c(n1)-n1cnc2ccccc12
CC1OC(C)=C(Oc2ncc(Cl)c(n2)-n2cnc3ccccc23)C1=O |t:4|
CC1=C(Oc2ncc(Cl)c(n2)-n2cnc3ccccc23)C(=O)CO1 |c:1|
FC(F)(F)c1cc(Cl)c2ncn(-c3nc(OCCc4ccccn4)ncc3Cl)c2c1
Clc1cccc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)n1
Clc1cc(Cl)nc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)c1
Fc1cc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)ccn1
N[C@H]1C[C@H](C1)Oc1ncc(Cl)c(n1)-n1cnc2ccccc12 |r,wU:3.5,1.0,(-4.75,5.68,;-4.27,4.21,;-2.9,3.51,;-3.6,2.14,;-4.97,2.84,;-3.12,.68,;-1.62,.36,;-.59,1.5,;.92,1.18,;1.39,-.28,;2.9,-.6,;.36,-1.43,;-1.14,-1.11,;.84,-2.89,;-.06,-4.14,;.84,-5.38,;2.3,-4.91,;3.64,-5.68,;4.97,-4.91,;4.97,-3.37,;3.64,-2.6,;2.3,-3.37,)|
Clc1cnc(OC2CCC2)nc1-n1cnc2ccccc12
Clc1cnc(O[C@@H]2CCNC2)nc1-n1cnc2ccccc12 |r|
Clc1cnc(NC2CCC2)nc1-n1cnc2ccccc12
Clc1cnc(nc1-n1cnc2ccccc12)N1CCC(=O)C1
N[C@H]1C[C@@H](C1)Oc1ncc(Cl)c(n1)-n1cnc2ccccc12 |r,wU:1.0,wD:3.5,(-1.08,-6.5,;-.6,-5.04,;-1.3,-3.67,;.07,-2.97,;.77,-4.34,;.55,-1.5,;-.48,-.36,;-1.99,-.68,;-3.02,.47,;-2.54,1.93,;-3.57,3.08,;-1.04,2.25,;-.01,1.11,;-.56,3.72,;-1.46,4.96,;-.56,6.21,;.9,5.73,;2.24,6.5,;3.57,5.73,;3.57,4.19,;2.24,3.42,;.9,4.19,)|
Clc1cnc(NC2C3CC2C3)nc1-n1cnc2ccccc12 |(-1.99,3.77,;-.66,3,;.67,3.77,;2.01,3,;2.01,1.46,;3.34,.69,;3.34,-.85,;2.25,-1.94,;3.34,-3.03,;4.43,-1.94,;3.35,-1.62,;.67,.69,;-.66,1.46,;-1.99,.69,;-3.4,1.32,;-4.43,.17,;-3.66,-1.16,;-4.14,-2.63,;-3.11,-3.77,;-1.6,-3.45,;-1.12,-1.99,;-2.15,-.84,)|
N#Cc1cnc(NC2C3CC2C3)nc1-n1cnc2ccccc12 |(-3.53,3.77,;-1.99,3.77,;-.66,3,;.67,3.77,;2.01,3,;2.01,1.46,;3.34,.69,;3.34,-.85,;2.25,-1.94,;3.34,-3.03,;4.43,-1.94,;3.35,-1.62,;.67,.69,;-.66,1.46,;-1.99,.69,;-3.4,1.32,;-4.43,.17,;-3.66,-1.16,;-4.14,-2.63,;-3.11,-3.77,;-1.6,-3.45,;-1.12,-1.99,;-2.15,-.84,)|
NC1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc(c1)C#N |(6.44,.81,;4.95,.42,;4.18,-.92,;2.85,-.15,;3.62,1.19,;1.36,-.55,;.27,.54,;.67,2.03,;-.42,3.12,;-1.91,2.72,;-2.99,3.81,;-2.3,1.23,;-1.21,.14,;-3.79,.83,;-5.13,1.6,;-6.27,.57,;-5.66,-.87,;-4.11,-.67,;-6.43,-2.2,;-7.2,-3.54,)|
NC1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc(c1)-c1ccc(Cl)c(c1)C(F)(F)F |(7.18,2.45,;5.7,2.05,;4.93,.71,;3.59,1.48,;4.36,2.82,;2.11,1.09,;1.02,2.18,;1.41,3.66,;.33,4.75,;-1.16,4.35,;-2.25,5.44,;-1.56,2.87,;-.47,1.78,;-3.05,2.47,;-4.38,3.24,;-5.53,2.21,;-4.9,.8,;-3.37,.96,;-5.3,-.69,;-6.79,-1.09,;-7.18,-2.57,;-6.1,-3.66,;-6.49,-5.15,;-4.57,-3.3,;-4.21,-1.78,;-3.48,-4.39,;-2.39,-5.48,;-2.39,-3.3,;-4.57,-5.48,)|
NC1CC(C1)Oc1ncc(C#N)c(n1)-n1cnc(c1)-c1ccc(Cl)c(Cl)c1 |(7.18,1.76,;5.7,1.36,;4.93,.02,;3.59,.79,;4.36,2.13,;2.11,.4,;1.02,1.48,;1.41,2.97,;.33,4.06,;-1.2,3.7,;-2.29,4.79,;-3.38,5.88,;-1.56,2.18,;-.47,1.09,;-3.05,1.78,;-4.38,2.55,;-5.53,1.52,;-4.9,.11,;-3.37,.27,;-5.3,-1.38,;-6.79,-1.78,;-7.18,-3.26,;-6.1,-4.35,;-6.49,-5.84,;-4.61,-3.95,;-3.52,-5.04,;-4.21,-2.47,)|
CC(C)(COc1ncc(Cl)c(n1)-n1cnc2ccccc12)c1ccncc1
Fc1ccc2n(cnc2c1F)-c1nc(OCCc2ccccn2)ncc1Cl
NC1CC(C1)Oc1ncc(c(n1)-n1cnc2ccccc12)C(F)(F)F |(6.16,3.32,;4.83,2.55,;4.43,1.06,;2.94,1.46,;3.34,2.95,;1.61,.69,;.28,1.46,;.28,3,;-1.06,3.77,;-2.39,3,;-2.39,1.46,;-1.06,.69,;-3.73,.69,;-5.13,1.32,;-6.16,.17,;-5.39,-1.16,;-5.87,-2.63,;-4.84,-3.77,;-3.33,-3.45,;-2.86,-1.99,;-3.89,-.84,;-3.73,3.77,;-3.73,5.31,;-5.06,3,;-5.06,4.54,)|
NC1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc(c1)C(F)(F)F |(6.16,2.76,;4.83,1.99,;4.43,.5,;2.94,.9,;3.34,2.39,;1.61,.13,;.28,.9,;.28,2.44,;-1.06,3.21,;-2.39,2.44,;-3.73,3.21,;-2.39,.9,;-1.06,.13,;-3.73,.13,;-5.13,.76,;-6.16,-.39,;-5.39,-1.72,;-3.89,-1.4,;-5.79,-3.21,;-7.28,-3.61,;-4.7,-4.3,;-6.19,-4.7,)|
Clc1cnc(CCc2ccccn2)nc1-n1cnc2ccccc12
Fc1cnc(NC23CC(C2)C3)nc1-n1cnc2ccccc12
FC(F)(F)c1cnc(NC23CC(C2)C3)nc1-n1cnc2ccccc12
CCc1cnc(NC2CNC(=O)C2)nc1-n1cnc2ccccc12
FC(F)(F)c1cnc(NC2CNC(=O)C2)nc1-n1cnc2ccccc12
OC(=O)C1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc2ccccc12 |(6.85,2.02,;5.52,2.79,;5.52,4.33,;4.18,2.02,;3.76,.52,;2.28,.92,;2.67,2.4,;.94,.15,;-.39,.92,;-.39,2.46,;-1.72,3.23,;-3.06,2.46,;-4.39,3.23,;-3.06,.92,;-1.72,.15,;-4.39,.15,;-5.8,.77,;-6.83,-.37,;-6.06,-1.71,;-6.54,-3.17,;-5.5,-4.31,;-4,-3.99,;-3.52,-2.53,;-4.55,-1.39,)|
Nc1ccc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)cc1
NC1CC(C1)Oc1ncc(Br)c(n1)-n1cnc2ccccc12 |(6.16,3.32,;4.83,2.55,;4.43,1.06,;2.94,1.46,;3.34,2.95,;1.61,.69,;.28,1.46,;.28,3,;-1.06,3.77,;-2.39,3,;-3.73,3.77,;-2.39,1.46,;-1.06,.69,;-3.73,.69,;-5.13,1.32,;-6.16,.17,;-5.39,-1.16,;-5.87,-2.63,;-4.84,-3.77,;-3.33,-3.45,;-2.86,-1.99,;-3.89,-.84,)|
NC1CC(C1)Oc1nc(-n2cnc3ccccc23)c2ccccc2n1 |(6.16,2.16,;4.83,1.39,;4.43,-.09,;2.94,.31,;3.34,1.79,;1.61,-.46,;.28,.31,;-1.06,-.46,;-2.39,.31,;-3.73,-.46,;-5.13,.16,;-6.16,-.98,;-5.39,-2.32,;-5.87,-3.78,;-4.84,-4.93,;-3.33,-4.61,;-2.86,-3.14,;-3.89,-2,;-2.39,1.85,;-3.73,2.62,;-3.73,4.16,;-2.39,4.93,;-1.06,4.16,;-1.06,2.62,;.28,1.85,)|
Brc1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
C1CC(CN1)Oc1nccc(n1)-n1cnc2ccccc12
FC(F)(F)c1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
NC1CC(C1)Oc1ncc(-c2cccc(c2)C(N)=O)c(n1)-n1cnc2ccccc12 |(3.46,-6.48,;3.46,-4.94,;2.37,-3.85,;3.46,-2.76,;4.55,-3.85,;3.46,-1.22,;2.12,-.45,;2.12,1.09,;.79,1.86,;-.54,1.09,;-1.88,1.86,;-3.21,1.09,;-4.55,1.86,;-4.55,3.4,;-3.21,4.17,;-1.88,3.4,;-3.21,5.71,;-1.88,6.48,;-4.55,6.48,;-.54,-.45,;.79,-1.22,;-1.88,-1.22,;-3.28,-.59,;-4.32,-1.74,;-3.55,-3.07,;-4.02,-4.54,;-2.99,-5.68,;-1.48,-5.36,;-1.01,-3.9,;-2.04,-2.75,)|
NC1CC(C1)Oc1ncc(C2CC2)c(n1)-n1cnc2ccccc12 |(3.34,-4.94,;3.34,-3.4,;2.25,-2.31,;3.34,-1.22,;4.43,-2.31,;3.34,.32,;2.01,1.09,;2.01,2.63,;.67,3.4,;-.66,2.63,;-1.99,3.4,;-3.33,2.63,;-1.99,4.94,;-.66,1.09,;.67,.32,;-1.99,.32,;-3.4,.95,;-4.43,-.2,;-3.66,-1.53,;-4.14,-3,;-3.11,-4.14,;-1.6,-3.82,;-1.12,-2.36,;-2.15,-1.21,)|
NC(=O)c1cccc(c1)-c1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
C1CC(CN1)Oc1ncc(-c2ccsc2)c(n1)-n1cnc2ccccc12
NC(=O)c1ccc(cc1)-c1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
O=C1CC(CN1)Nc1ncc(C#N)c(n1)-n1cnc2ccccc12
Fc1cccc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)c1
Fc1cc(CCOc2nc(ncc2C#N)-n2cnc3ccccc23)ccn1
CC(C)(COc1nc(ncc1C#N)-n1cnc2ccccc12)c1ccnc(F)c1
CC(C)(COc1ncc(Cl)c(n1)-n1cnc2ccccc12)c1ccnc(F)c1
NC1CC(C1)Oc1nc(C2CC2)c(Cl)c(n1)-n1cnc2ccccc12 |(5.75,-4.46,;4.66,-3.38,;4.66,-1.84,;3.12,-1.84,;3.12,-3.38,;2.03,-.75,;.69,.02,;.69,1.56,;-.64,2.33,;-.64,3.87,;.13,5.21,;-1.41,5.21,;-1.97,1.56,;-3.31,2.33,;-1.97,.02,;-.64,-.75,;-3.31,-.75,;-4.71,-.12,;-5.75,-1.26,;-4.98,-2.6,;-5.45,-4.06,;-4.42,-5.21,;-2.91,-4.89,;-2.44,-3.42,;-3.47,-2.28,)|
CCc1nc(OC2CC(N)C2)nc(c1Cl)-n1cnc2ccccc12 |(.69,4.93,;-.64,4.16,;-.64,2.62,;.69,1.85,;.69,.31,;2.03,-.46,;3.12,-1.55,;4.66,-1.55,;4.66,-3.09,;5.75,-4.18,;3.12,-3.09,;-.64,-.46,;-1.97,.31,;-1.97,1.85,;-3.31,2.62,;-3.31,-.46,;-4.71,.16,;-5.75,-.98,;-4.98,-2.32,;-5.45,-3.78,;-4.42,-4.93,;-2.91,-4.61,;-2.44,-3.14,;-3.47,-2,)|
CC(C)(COc1ncc(C#N)c(n1)-n1cnc2ccccc12)c1ccnc(F)c1
Fc1cc(CCOc2ncc(C#N)c(n2)-n2cnc3ccccc23)ccn1
CC(C)(COc1ncc(Cl)c(OCC(C)(C)c2ccnc(F)c2)n1)c1ccnc(F)c1
CC(C)(COc1nc(ncc1Cl)-n1cnc2ccccc12)c1ccnc(F)c1
O=C1NCc2cc(ccc12)-n1ccc2cncnc12
Cn1cc(cn1)-c1cn(-c2ccc3C(=O)NCc3c2)c2ncncc12
CC1NC(=O)c2c1cc(cc2Cl)-n1ccc2cncnc12
CC1(C)NC(=O)c2c1cc(cc2Cl)-n1ccc2cncnc12
CC1NC(=O)c2c1cc(cc2C)-n1ccc2cncnc12
Cc1cc(Nc2ncnc(NC(=O)C3CC3)n2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
CCCNC(=O)Nc1ncnc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)n1
Cc1cc(Nc2ccnc3ccccc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3ccccc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3sc(cc23)C(O)=O)c(=O)n2c1C(=O)NC21CCCCC1
CN(C)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1
COCCN(C)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1
CN1CCN(CC1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1
CN(C)CCN(C)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1
CN(C)C1CCN(CC1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1
Cc1c(sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c12)C(O)=O
CN(C)C(=O)c1sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2c1C
CN(C)CCN(C)C(=O)c1sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2c1C
COCCN(C)C(=O)c1sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2c1C
CN1CCN(CC1)C(=O)c1sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2c1C
CN(C)C1CCN(CC1)C(=O)c1sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2c1C
Cc1cc(Nc2ccnc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCCC1
CCCNC(=O)Nc1nccc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)n1
Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCCCC1
CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)C#N)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC21CCCCC1
CN(C)[C@@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r|
Cc1cc(Nc2ncnc3CN(Cc23)C(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3CNCc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3nc(CC(F)(F)F)[nH]c23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1oc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2c1C
CC(O)Cn1cnc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc12 |w:1.0|
Cc1cc(Nc2ncnc(NC(=O)C3CC3)n2)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3cccc(F)c23)c(=O)n2c1C(=O)NC21CCCCC1
CN1C[C@H]2C[C@@H]1CN2C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r|
CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r,TLB:0:1:7.6:4|
Cc1cc(Nc2ncnc3n(CCO)cnc23)c(=O)n2c1C(=O)NC21CCCCC1
CCOC(=O)Cn1cnc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc12
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3n(cnc23)[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)n2c1C(=O)NC21CCCCC1 |r|
Cc1cc(Nc2ncnc3n(CC(O)=O)cnc23)c(=O)n2c1C(=O)NC21CCCCC1
CN(C)C(=O)Cn1cnc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc12
CN(C)CCN(C)C(=O)Cn1cnc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc12
Cc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3occc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc(NC(=O)C3CC3)n2)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ccnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3sc(cc23)C(O)=O)c(=O)n2c1C(=O)NC21CCCC1
CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCC5)n4c3=O)ncnc2s1
CN(C)CCN(C)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCC5)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)C#N)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCCC1
CN(C)[C@@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCC5)n4c3=O)ncnc2s1 |r|
CN(C)C1CCN(CC1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCC5)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2C[C@H]3C[C@@H]2CO3)c(=O)n2c1C(=O)NC21CCCC1 |r,TLB:14:16:22.21:19|
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2C[C@@H]3C[C@H]2CO3)c(=O)n2c1C(=O)NC21CCCCC1 |r|
Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3CN(Cc23)S(C)(=O)=O)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3CN(Cc23)S(=O)(=O)c2ccccc2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3CN(Cc23)S(=O)(=O)C(F)F)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3CN(Cc23)S(=O)(=O)C(F)(F)F)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3CN(Cc23)S(=O)(=O)CC(F)(F)F)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC21CCCC1
CCNC(=O)N1Cc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2C1
CCOC(=O)N1Cc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2C1
Cc1cc(Nc2ncnc3CN(Cc23)C(=O)[C@@H]2CCC(=O)N2)c(=O)n2c1C(=O)NC21CCCCC1 |r|
CC(=O)N1Cc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2C1
Cc1cc(Nc2ncnc3CN(Cc23)S(=O)(=O)c2ccccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3sc(cc23)C(O)=O)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC(F)(F)CC5)n4c3=O)ncnc2s1
CN(C)CCN(C)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC(F)(F)CC5)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)C#N)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
CN(C)[C@@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC(F)(F)CC5)n4c3=O)ncnc2s1 |r|
CN(C)C1CCN(CC1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC(F)(F)CC5)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2C[C@H]3C[C@@H]2CO3)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1 |r|
Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1c(sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCC(F)(F)CC5)n4c3=O)c12)C(O)=O
Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1c(sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCC5)n4c3=O)c12)C(O)=O
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2C[C@H]3C[C@@H]2CO3)c(=O)n2c1C(=O)NC21CCCC1 |r|
Cc1cc(Nc2ncnc3sc(cc23)C(N)=O)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2ncnc3sc(cc23)C(N)=O)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3CN(Cc23)C(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3CN(Cc23)C(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1c(sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCC5)n4c3=O)c12)C(N)=O
Cc1cc(Nc2ncnc3cc(Cl)ccc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3cccc(Cl)c23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3c(Cl)cc(Cl)cc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3c(F)cccc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3cc(F)ccc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3cc(F)cc(F)c23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3c(F)c(F)ccc23)c(=O)n2c1C(=O)NC21CCCCC1
COc1ccc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2c1
COc1ccc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2c1
COc1cccc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c12
COc1cc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2cc1OC
Cc1cc(Nc2ncnc3c(C)cccc23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1ccc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2c1
Cc1ccc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2c1
Cc1cc(Nc2ncnc3cccc(C)c23)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc3CNCc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2ncnc3CNCc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC21CCC(O)(CC1)C(F)(F)F |(.64,4.57,;.64,3.03,;-.7,2.26,;-.7,.72,;-2.03,-.05,;-3.36,.72,;-3.36,2.26,;-4.7,3.03,;-6.03,2.26,;-6.03,.72,;-7.36,-.05,;-4.7,-.05,;.64,-.05,;.64,-1.59,;1.97,.72,;1.97,2.26,;3.44,2.74,;3.91,4.2,;4.34,1.49,;3.44,.24,;2.41,-.9,;2.88,-2.36,;4.39,-2.68,;3.3,-3.77,;5.42,-1.54,;4.94,-.08,;5.88,-3.08,;7.36,-3.48,;6.97,-1.99,;6.27,-4.57,)|
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(O)(CC1)C(F)(F)F |(.54,4.57,;.54,3.03,;-.79,2.26,;-.79,.72,;-2.12,-.05,;-3.46,.72,;-3.46,2.26,;-4.79,3.03,;-6.12,2.26,;-6.12,.72,;-7.27,-.31,;-6.64,-1.72,;-5.11,-1.56,;-4.79,-.05,;.54,-.05,;.54,-1.59,;1.88,.72,;1.88,2.26,;3.34,2.74,;3.82,4.2,;4.25,1.49,;3.34,.24,;2.31,-.9,;2.79,-2.36,;4.29,-2.68,;3.21,-3.77,;5.32,-1.54,;4.85,-.08,;5.78,-3.08,;7.27,-3.48,;6.87,-1.99,;6.18,-4.57,)|
CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC(O)(CC5)C(F)(F)F)n4c3=O)ncnc2s1 |(-10.42,-.38,;-8.88,-.38,;-8.11,.95,;-8.11,-1.72,;-6.57,-1.72,;-5.8,-3.05,;-4.26,-3.05,;-3.49,-4.38,;-3.49,-1.72,;-1.96,-1.56,;-1.64,-.05,;-.31,.72,;1.03,-.05,;2.36,.72,;2.36,2.26,;3.7,3.03,;3.7,4.57,;5.03,2.26,;6.49,2.74,;6.97,4.2,;7.4,1.49,;6.49,.24,;5.46,-.9,;5.94,-2.36,;7.45,-2.68,;6.36,-3.77,;8.48,-1.54,;8,-.08,;8.93,-3.08,;10.42,-3.48,;10.02,-1.99,;9.33,-4.57,;5.03,.72,;3.7,-.05,;3.7,-1.59,;-.31,2.26,;-1.64,3.03,;-2.97,2.26,;-2.97,.72,;-4.12,-.31,)|
Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCC(O)(CC1)C(F)(F)F |(.54,4.57,;.54,3.03,;-.79,2.26,;-.79,.72,;-2.12,-.05,;-3.46,.72,;-3.46,2.26,;-4.79,3.03,;-6.12,2.26,;-6.12,.72,;-7.27,-.31,;-6.64,-1.72,;-5.11,-1.56,;-4.79,-.05,;.54,-.05,;.54,-1.59,;1.88,.72,;1.88,2.26,;3.34,2.74,;3.82,4.2,;4.25,1.49,;3.34,.24,;2.31,-.9,;2.79,-2.36,;4.29,-2.68,;3.21,-3.77,;5.32,-1.54,;4.85,-.08,;5.78,-3.08,;7.27,-3.48,;6.87,-1.99,;6.18,-4.57,)|
Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3sc(cc23)C(O)=O)c(=O)n2c1C(=O)NC2(C)C
CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC(C)(C)n4c3=O)ncnc2s1
CN(C)CCN(C)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC(C)(C)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)C#N)c(=O)n2c1C(=O)NC2(C)C
CN(C)[C@@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC(C)(C)n4c3=O)ncnc2s1 |r|
CN(C)C1CCN(CC1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC(C)(C)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2C[C@H]3C[C@@H]2CO3)c(=O)n2c1C(=O)NC2(C)C |r|
Cc1c(sc2ncnc(Nc3cc(C)c4C(=O)NC(C)(C)n4c3=O)c12)C(O)=O
Cc1cc(Nc2ncnc(NC(=O)C3CC3)n2)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3sc(cc23)C(O)=O)c(=O)n2c1C(=O)NC21CCC1
CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC5)n4c3=O)ncnc2s1
CN(C)CCN(C)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC5)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)C#N)c(=O)n2c1C(=O)NC21CCC1
CN(C)[C@@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC5)n4c3=O)ncnc2s1 |r|
CN(C)C1CCN(CC1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC5)n4c3=O)ncnc2s1
Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2C[C@@]3([W])C[C@@H]2CO3)c(=O)n2c1C(=O)NC21CCC1 |r|
Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3sncc23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3CN(Cc23)C(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3CN(Cc23)C(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3CNCc23)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3CNCc23)c(=O)n2c1C(=O)NC21CCC1
Cc1c(sc2ncnc(Nc3cc(C)c4C(=O)NC5(CCC5)n4c3=O)c12)C(O)=O
Cc1cc(Nc2ncnc3cccc(C)c23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3ccccc23)c(=O)n2c1C(=O)NC21CCC1
Cc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC21CSC1
Cc1cc(Nc2ncnc3cccc(C)c23)c(=O)n2c1C(=O)NC21CSC1
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CSC1
Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CSC1
Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CSC1
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CSC1
Cc1cc(Nc2ncnc3cccc(C)c23)c(=O)n2c1C(=O)NC21CS(=O)(=O)C1
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CS(=O)(=O)C1
Cc1cc(Nc2ncnc3cc(Cl)ccc23)c(=O)n2c1C(=O)NC21CS(=O)(=O)C1
Cc1cc(Nc2ncnc3ccccc23)c(=O)n2c1C(=O)NC21CS(=O)(=O)C1
Cc1cc(Nc2ncnc3cccc(C)c23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3cc(Cl)ccc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3ccccc23)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2ncnc3cccc(C)c23)c(=O)n2c1C(=O)N[C@]21CC[C@](O)(CC1)C(F)(F)F |r,wU:26.34,wD:23.26,26.30,(1.11,5.1,;1.11,3.56,;-.22,2.79,;-.22,1.25,;-1.56,.48,;-2.89,1.25,;-2.89,2.91,;-4.17,3.58,;-5.56,2.91,;-5.54,1.25,;-6.84,.44,;-6.84,-1.1,;-5.48,-1.85,;-4.2,-1.07,;-2.85,-1.82,;-4.2,.5,;1.11,.48,;1.11,-1.06,;2.44,1.25,;2.44,2.79,;3.91,3.27,;4.38,4.73,;4.81,2.02,;3.91,.78,;5.42,.46,;5.89,-1.01,;4.86,-2.15,;3.77,-3.24,;3.35,-1.83,;2.88,-.37,;5.34,-3.62,;4.31,-4.76,;6.84,-3.94,;5.73,-5.1,)|
Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)N[C@]21CC[C@](O)(CC1)C(F)(F)F |r,wU:26.34,wD:23.26,26.30,(1.11,5.1,;1.11,3.56,;-.22,2.79,;-.22,1.25,;-1.56,.48,;-2.89,1.25,;-2.89,2.91,;-4.17,3.58,;-5.56,2.91,;-5.54,1.25,;-6.84,.44,;-6.84,-1.1,;-5.48,-1.85,;-5.44,-3.39,;-4.2,-1.07,;-4.2,.5,;1.11,.48,;1.11,-1.06,;2.44,1.25,;2.44,2.79,;3.91,3.27,;4.38,4.73,;4.81,2.02,;3.91,.78,;5.42,.46,;5.89,-1.01,;4.86,-2.15,;3.77,-3.24,;3.35,-1.83,;2.88,-.37,;5.34,-3.62,;4.31,-4.76,;6.84,-3.94,;5.73,-5.1,)|
Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)N[C@]21CC[C@](O)(CC1)C(F)(F)F |r,wU:22.29,wD:19.21,22.25,(1.11,5.1,;1.11,3.56,;-.22,2.79,;-.22,1.25,;-1.56,.48,;-2.89,1.25,;-2.89,2.91,;-4.17,3.58,;-5.56,2.91,;-5.54,1.25,;-6.84,.44,;-4.2,.5,;1.11,.48,;1.11,-1.06,;2.44,1.25,;2.44,2.79,;3.91,3.27,;4.38,4.73,;4.81,2.02,;3.91,.78,;5.42,.46,;5.89,-1.01,;4.86,-2.15,;3.77,-3.24,;3.35,-1.83,;2.88,-.37,;5.34,-3.62,;4.31,-4.76,;6.84,-3.94,;5.73,-5.1,)|
Cc1cc(Nc2ncnc3cccc(C)c23)c(=O)n2c1C(=O)N[C@]21CC[C@](O)(CC1)C(F)(F)C(F)(F)F |r,wU:26.34,wD:23.26,26.30,(.93,5.85,;.93,4.31,;-.41,3.54,;-.41,2,;-1.74,1.23,;-3.07,2,;-3.07,3.65,;-4.35,4.32,;-5.75,3.65,;-5.72,2,;-7.04,1.24,;-7.04,-.29,;-5.72,-1.05,;-4.38,-.29,;-3.05,-1.07,;-4.38,1.24,;.93,1.23,;.93,-.31,;2.26,2,;2.26,3.54,;3.73,4.01,;4.2,5.48,;4.63,2.77,;3.73,1.52,;5.23,1.2,;5.71,-.26,;4.68,-1.41,;3.59,-2.5,;3.17,-1.09,;2.7,.38,;5.15,-2.87,;4.12,-4.02,;6.66,-3.19,;5.55,-4.36,;4.46,-5.45,;7.04,-4.76,;5.95,-5.85,)|
Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)N[C@]21CC[C@](O)(CC1)C(F)(F)C(F)(F)F |r,wU:26.34,wD:23.26,26.30,(.92,5.85,;.92,4.31,;-.41,3.54,;-.41,2,;-1.75,1.23,;-3.08,2,;-3.08,3.65,;-4.36,4.32,;-5.75,3.65,;-5.73,2,;-7.03,1.18,;-7.03,-.36,;-5.67,-1.11,;-5.63,-2.65,;-4.39,-.33,;-4.39,1.24,;.92,1.23,;.92,-.31,;2.25,2,;2.25,3.54,;3.72,4.01,;4.19,5.48,;4.62,2.77,;3.72,1.52,;5.23,1.2,;5.7,-.26,;4.67,-1.41,;3.58,-2.5,;3.16,-1.09,;2.69,.38,;5.15,-2.87,;4.12,-4.02,;6.65,-3.19,;5.54,-4.36,;7.03,-4.76,;4.46,-5.45,;5.94,-5.85,)|
Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)N[C@]21CC[C@](O)(CC1)C(F)(F)C(F)(F)F |r,wU:24.32,wD:21.24,24.28,(.83,5.85,;.83,4.31,;-.5,3.54,;-.5,2,;-1.83,1.23,;-3.17,2,;-3.17,3.65,;-4.45,4.32,;-5.84,3.65,;-5.81,2,;-6.94,.96,;-6.31,-.44,;-4.78,-.26,;-4.48,1.24,;.83,1.23,;.83,-.31,;2.17,2,;2.17,3.54,;3.63,4.01,;4.11,5.48,;4.54,2.77,;3.63,1.52,;5.14,1.2,;5.61,-.26,;4.58,-1.41,;3.49,-2.5,;3.08,-1.09,;2.6,.38,;5.06,-2.87,;4.03,-4.02,;6.56,-3.19,;5.46,-4.36,;4.37,-5.45,;6.94,-4.76,;5.86,-5.85,)|
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)N[C@]21CC[C@](O)(CC1)C(F)(F)C(F)(F)F |r,wU:24.32,wD:21.24,24.28,(.97,5.88,;.97,4.34,;-.37,3.57,;-.37,2.03,;-1.7,1.26,;-3.03,2.03,;-3.03,3.57,;-4.37,4.34,;-5.7,3.57,;-5.7,2.03,;-6.85,1,;-6.22,-.41,;-4.69,-.24,;-4.37,1.26,;.97,1.26,;.97,-.28,;2.3,2.03,;2.3,3.57,;3.76,4.05,;4.53,5.38,;4.67,2.8,;3.76,1.56,;5.25,1.16,;5.65,-.33,;4.56,-1.42,;3.47,-2.51,;3.07,-1.02,;2.68,.47,;4.96,-2.91,;3.87,-4,;6.45,-3.31,;5.36,-4.39,;4.27,-5.48,;6.85,-4.79,;5.76,-5.88,)|
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)N[C@]21CC[C@](O)(CC1)C(F)(F)C(F)(F)F |r,wU:26.34,wD:23.26,26.30,(1.06,5.88,;1.06,4.34,;-.27,3.57,;-.27,2.03,;-1.61,1.26,;-2.94,2.03,;-2.94,3.57,;-4.27,4.34,;-5.61,3.57,;-5.61,2.03,;-6.94,1.26,;-6.94,-.28,;-5.61,-1.05,;-5.61,-2.59,;-4.27,-.28,;-4.27,1.26,;1.06,1.26,;1.06,-.28,;2.39,2.03,;2.39,3.57,;3.86,4.05,;4.63,5.38,;4.76,2.8,;3.86,1.56,;5.35,1.16,;5.75,-.33,;4.66,-1.42,;3.57,-2.51,;3.17,-1.02,;2.77,.47,;5.05,-2.91,;3.97,-4,;6.54,-3.31,;5.45,-4.39,;4.36,-5.48,;6.94,-4.79,;5.85,-5.88,)|
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCSCC1
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CCSCC1
Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCS(=O)(=O)CC1
Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CCS(=O)(=O)CC1
Nc1cc(Nc2c3CCCc3c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21C[C@H]2CC[C@@H]1C2 |r|
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21C[C@@H]2CC[C@H]1C2 |r|
Nc1cc(Nc2c3ccccc3c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NC1CC1
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCCCc3c12
CCNC(=O)C1CCc2[nH]c3ncnc(Nc4cc5cn[nH]c5cc4OC)c3c2C1
COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCc1ccccc1
Fc1ccc2Nc3ncnc4[nH]c5CCC(Cc5c34)C(=O)OCCOc2c1
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCCCS(C)(=O)=O
Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(O)=O
COC(=O)c1sc2ncnc(Nc3ccc(=O)n(C)c3)c2c1C
COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O
COCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
COCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
CCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(N)=O
COCCn1cc(C)cc(Nc2ncnc3sc(C(O)=O)c(C)c23)c1=O
Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(O)=O
COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O
COC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12
CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O |r,c:3,t:6|
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3C)c2c1C
Cc1c(sc2ncnc(Nc3ccc(F)cc3)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3C)c12)C(O)=O
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1
CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1
CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
C1CC(CCN1)c1cc(n[nH]1)-c1ccncc1
NC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
O=c1[nH]cnc2cc3n[nH]cc3cc12
OCCNc1ccc2ncc(-c3ccc(Cl)cc3)n2n1
COCCNc1ccc2ncc(-c3ccc(Cl)cc3)n2n1
COCCNc1ccc2ncc(-c3ccc(F)cc3)n2n1
OCCCNc1ccc2ncc(-c3ccc(F)cc3)n2n1
OCCCNc1ccc2ncc(-c3ccccc3F)n2n1
C(Cc1ccccn1)Nc1ccc2ncc(-c3ccccc3)n2n1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccccc1
Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC
CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl
CNc1ccc2ncc(-c3cccc(O)c3)n2n1
CNc1ccc2ncc(-c3ccc(F)cc3)n2n1
c1nc2cccnn2c1-c1ccncc1
C(Nc1nn2c(cnc2s1)-c1ccncc1)C1CC1
CC(C)CNc1nn2c(cnc2s1)-c1ccncc1
Fc1ccc(Nc2ncnc3nc[nH]c23)cc1
COC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
Clc1ccc(Nc2ncnc3n[nH]cc23)cc1
OCC(CC1CCCCC1)NCc1coc2cccc(OCC3CCCCC3)c2c1=O
COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(C)CSC
N(c1ccc2ccccc2c1)c1ncnc2n[nH]cc12
NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(=O)[nH]c2)cc1
c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5
C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
O=c1ccc(c[nH]1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1
C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Nc1cc(ccn1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1
Oc1ccc(cc1O)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(O)c(O)c2)cc1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccncc2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cccnc2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cnccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccnnc2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cccnn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cccc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)n1
Cc1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ccn1
Cc1cc(Nc2ncccc2C)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccnc(N)c2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(N)ccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2nccc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cncc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cn(C)nc2C#N)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cn(C)nc2C(F)F)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cn(C)nc2N)c(=O)n2c1C(=O)NC21CCCCC1
CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3
Cc1cc(Nc2cc(ncn2)N2CCOCC2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(ncn2)N2CCCCC2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(NC3CCNCC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(ncn2)N2CCC(N)CC2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(ncn2)N2CCNCC2)c(=O)n2c1C(=O)NC21CCCCC1
CN1CCN(CC1)c1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
CC(=O)N1CCN(CC1)c1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
CN(C)CCN1CCN(CC1)c1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
CN(C)CCCN1CCN(CC1)c1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
c1ccc(cc1)-c1n[nH]c2ccc(cc12)-c1ccncc1
NC(=O)c1cccn2c(cnc12)-c1cccnc1
NC(=O)c1ccc(Nc2ccncn2)cc1
NC(=O)c1ccc(Nc2ccncn2)c(=O)[nH]1
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1
N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r,wU:3.5,wD:1.0,(36.72,-33.01,;35.21,-33.32,;33.93,-32.47,;33.08,-33.76,;34.37,-34.61,;31.57,-34.07,;30.55,-32.92,;29.04,-33.23,;28.03,-32.08,;28.51,-30.62,;27.74,-29.3,;28.77,-28.15,;30.18,-28.78,;31.51,-28.01,;31.51,-26.46,;32.84,-25.69,;34.17,-26.46,;35.5,-25.68,;36.83,-26.44,;36.84,-27.99,;35.51,-28.77,;34.17,-28,;32.84,-28.78,;30.01,-30.31,;31.04,-31.45,)|
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
Cc1n[nH]c(C)c1-c1ccc(cc1)C1CCCN1
CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12
c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6
Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(OC)cc2OC)n1
COc1ccc(Nc2nccc(n2)-c2sc(OC(C)C)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2cn(C(C)C)c3ccccc23)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(SCCN(C)C)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(nc2C)N(C)C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c(OC)c1
CCCn1cc(-c2ccnc(Nc3ccc(OC)cc3OC)n2)c2ccccc12
Oc1ccccc1Nc1nccc(n1)-c1c[nH]c2ccccc12
COc1ccc(Nc2nccc(n2)-c2cn(C)c3ccccc23)c(OC)c1
COCCn1cc(-c2ccnc(Nc3ccc(OC)cc3OC)n2)c2ccccc12
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
COC(=O)c1ccc(cc1)-c1cnc2sc(nn12)-c1ccc(cc1)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccncc1
O=C(N1CCCC1)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
CN(C)CCNC(=O)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
O=C(NCCCN1CCOCC1)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
O=C(NCCN1CCCC1)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
OCCCNC(=O)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
OCCNC(=O)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
CC1CCCCN1C(=O)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
OCCCCCNC(=O)c1ccc(cc1)-c1nn2c(cnc2s1)-c1ccc(cc1)C#N
CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Fc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(O)=O
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(C)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(=O)NO
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccccc1
NC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cnc2cnc(NC(=O)c3ccccc3)cn12
CC(=O)Nc1cn2c(cnc2cn1)-c1ccc(O)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)F
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccccc1O
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)(F)F
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccccc1
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(N3CCNCC3)c2[nH]1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1
Nc1ncccc1-c1nc2ccccc2[nH]1
Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2ccccc2[nH]1
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r|
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|
CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3)c21
CN1CCc2c(C1)sc1ncnc(Nc3ccc(Br)cc3)c21
Cc1cccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)c1
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3F)c21
Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)c(Br)c1
Fc1ccc(c(F)c1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3Br)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3F)c21
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3Br)c21
Cc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2ccccc2[N+]([O-])=O)c1
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Br)cc3)c21
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3F)c21
COc1cccc(Nc2ncnc3sc4CN(C)CCc4c23)c1
CN1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3)c21
Cc1ccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)c(Br)c1
COc1cc(F)ccc1Nc1ncnc2sc3CN(CCc3c12)S(=O)(=O)c1cccs1
Fc1cc(Cl)ccc1Nc1ncnc2sc3CN(CCc3c12)S(=O)(=O)c1cccs1
COc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)c1
Clc1ccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)cc1
Clc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)c1
Cc1ccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2ccc(F)cc2F)c(Br)c1
Fc1ccc(c(F)c1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3F)c21
Fc1ccc(c(F)c1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Br)cc3)c21
Cc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2ccc(F)cc2F)c1
Fc1ccc(c(F)c1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(Cl)c3)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(C)cc3Br)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3OC)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Br)cc3)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(C)c3)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(OC)c3)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(Cl)c3)c21
Cc1ccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2ccccc2[N+]([O-])=O)c(Br)c1
Clc1ccc(Nc2ncnc3sc4CCCCc4c23)cc1
Clc1cccc(Nc2ncnc3sc4CCCCc4c23)c1
Fc1cccc(Nc2ncnc3sc4CCCCc4c23)c1
Brc1ccc(Nc2ncnc3sc4CCCCc4c23)cc1
CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(F)c3)c21
Cc1cccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)OC(C)(C)C)c1
CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3F)c21
CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3Br)c21
COc1cc(F)ccc1Nc1ncnc2sc3CN(CCc3c12)C(=O)OC(C)(C)C
Cc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)OC(C)(C)C)c(Br)c1
CN1CCc2c(C1)sc1ncnc(Nc3cccc(F)c3)c21
CN1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3Br)c21
COc1cc(F)ccc1Nc1ncnc2sc3CN(C)CCc3c12
Clc1cccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)c1
Clc1ccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)cc1
COc1cccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)c1
Fc1ccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)c(Br)c1
Cc1ccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)c(Br)c1
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(Cl)c3)c21
COc1cc(F)ccc1Nc1ncnc2sc3CN(CCc3c12)S(=O)(=O)c1ccc(F)cc1F
Fc1ccc(c(F)c1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3F)c21
Cc1cccc(Nc2ncnc3sc4CCCCc4c23)c1
CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Br)cc3)c21
CN1CCc2c(C1)sc1ncnc(Nc3cccc(Cl)c3)c21
Fc1cc(Cl)ccc1Nc1ncnc2sc3CN(Cc4ccccc4)CCc3c12
Cc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)c1
Fc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)c1
Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2ccc(F)cc2F)c(F)c1
Fc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2ccc(F)cc2F)c1
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3Br)c21
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3)c21
COc1cccc(Nc2ncnc3sc4CCCCc4c23)c1
COc1cccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)OC(C)(C)C)c1
CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3F)c21
CN1CCc2c(C1)sc1ncnc(Nc3ccc(F)cc3F)c21
CN1CCc2c(C1)sc1ncnc(Nc3ccc(C)cc3Br)c21
Brc1ccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)cc1
COc1cc(F)ccc1Nc1ncnc2sc3CN(Cc4ccccc4)CCc3c12
COc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2ccccc2[N+]([O-])=O)c1
CN1CCc2c(C1)sc1ncnc(Nc3cccc(C)c3)c21
Fc1ccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)c(F)c1
Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)c(F)c1
COc1cccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2ccc(F)cc2F)c1
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(F)c3)c21
CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(Cl)c3)c21
CN1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3F)c21
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3cccc(F)c3)c21
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(Cl)cc3)c21
Fc1cccc(Nc2ncnc3sc4CN(Cc5ccccc5)CCc4c23)c1
Brc1ccc(Nc2ncnc3sc4CN(CCc4c23)S(=O)(=O)c2cccs2)cc1
COc1cc(F)ccc1Nc1ncnc2sc3CN(CCc3c12)S(=O)(=O)c1ccccc1[N+]([O-])=O
Clc1cc(Nc2ccncc2)c(=O)n2c1C(=O)NC21CCCCC1
Fc1cnccc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
Clc1cc(Nc2ccon2)c(=O)n2c1C(=O)NC21CCCCC1
Oc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ccn1
NC(=O)c1ccc(cc1)-c1cccnc1N
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1CCOC1
Oc1ccc(cc1)-n1ccnc1
NC(=O)c1ccc(cc1)-c1cccnc1
NCCOc1cc(ccc1C(N)=O)-c1cccnc1
Cn1ccc(n1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
Nc1cc(n[nH]1)-c1ccc(Cl)cc1
OC(=O)c1ccc(s1)-c1cccnc1
OCc1ccc(cc1)-c1cccnc1
Nc1nc(cs1)-c1ccc(O)cc1
c1sc(nc1-c1cccnc1)-c1cccnc1
NC(=O)c1ccc(cc1O)-c1cccnc1
Cc1cc(ccc1C(N)=O)-c1cccnc1
COc1cc(ccc1-c1cccnc1)C(N)=O
CCOc1cc(ccc1C(N)=O)-c1cccnc1
CCNc1cc(ccc1C(N)=O)-c1cccnc1
NC(=O)c1ccc(cc1OC1CCCCC1)-c1cccnc1
NC(=O)c1ccc(cc1OC1CCNC1)-c1cccnc1
NC(=O)c1ccc(cc1OC1CCNCC1)-c1cccnc1
CC(=O)c1cncc(c1)-c1ccc(cc1)C(N)=O
NC(=O)c1ccc(cc1)-c1cncc(Cl)c1
NC(=O)c1ccc(cc1)-c1cncc(c1)-c1cccnc1
Cn1cc(cn1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)N1CCOCC1
CNC(=O)c1cncc(c1)-c1ccc(C(N)=O)c(OC(C)C)c1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c(C)n[nH]c1C
OC(=O)c1ccc(cc1)-c1cccnc1
CNC(=O)c1ccc(cc1)-c1cccnc1
NC(=O)c1ccc(cc1)-c1ccc(N)nc1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1C
Nc1ccc(cc1)-n1cnc(Cl)c1Cl
NC(=O)c1ccc(cc1Cl)-c1cccnc1
NC(=O)c1ccc(cc1OC1CCC1)-c1cccnc1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c[nH]nc1C1CC1
O=C(N1CCNCC1)c1ccc(cc1)-c1cccnc1
Nc1cccc(c1)-c1cccnc1
Nc1snnc1-c1ccc(cc1)C(F)(F)F
COc1cc(ccc1C(N)=O)-c1cccnc1
CC(C)Oc1cc(ccc1C(N)=O)-c1cccnc1
COc1cncc(c1)-c1ccc(cc1)C(N)=O
NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccccc1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)N1CCCC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C(C)C
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
NC(=O)c1ccc(cc1)-c1ccnc(N)c1
Clc1ncnc2ccsc12
Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3
Cc1ncccc1-c1ccc(cc1)C(N)=O
NC(=O)c1ccc(cc1)-c1cncc(c1)C(O)=O
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1nn[nH]n1
COc1ccc(cn1)-c1ccc(cc1)C(N)=O
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
CC(=O)Nc1cccc(Cn2cc(ccc2=O)-c2ccc3c(N)n[nH]c3c2)c1
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(c2)C(F)(F)F)c1
c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c3ccc4c(c3)[nH]nc4N
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(F)c2)c1
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2)c1
CC(=O)Nc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
Nc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
NC(=O)c1ccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)cc1
NC(=O)c1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
NC(=O)c1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
FC(F)(F)c1ccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)cc1
FC(F)(F)c1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
FC(F)(F)c1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
Clc1ccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)cc1Cl
Clc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
Clc1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
Fc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
Fc1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
O=C(N1CCOCC1)n1cc(ccc1=O)-c1ccc2cn[nH]c2c1
O=C(Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1)c1ccccc1
O=c1ccc(cn1CCc1ccccc1)-c1ccc2cn[nH]c2c1
Cn1cc2ccc(cc2n1)-c1ccc(=O)n(Cc2ccccc2)c1
Cn1ncc2ccc(cc12)-c1ccc(=O)n(Cc2ccccc2)c1
O=c1ccc(cn1Cc1ccccc1)-c1ccc2cc[nH]c2c1
O=c1ccc(cn1Cc1ccccc1)-c1ccc2cn[nH]c2c1
Brc1cnc2[nH]nc(-c3ccc(=O)n(Cc4ccccc4)c3)c2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3cnc4ccccc4c3)n2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4ncccc4c3)n2c1
O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3cnc4ccccc4c3)n2c1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
N[C@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1 |r|
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2n1
N[C@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r|
N[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r|
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2cnccc2c1
N[C@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2cnccc2c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2cnccc2c1 |r|
CNC(=O)c1cccc(c1)C#Cc1ccccc1Nc1ncnc2ccc(Cl)nc12
CN(C)C(=O)c1cccc(c1)C#Cc1ccccc1Nc1ncnc2ccc(Cl)nc12
CCCNC(=O)c1cccc(c1)C#Cc1ccccc1Nc1ncnc2ccc(Cl)nc12
Clc1ccc2ncnc(Nc3ccccc3C#Cc3cccc(c3)C(=O)N3CCNCC3)c2n1
Clc1ccc2ncnc(Nc3ccccc3C#Cc3cccc(c3)C(=O)N3CCOCC3)c2n1
COC(=O)c1cccc(c1)C#Cc1ccccc1Nc1ncnc2ccc(Cl)nc12
CNC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C
CN(C)C(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C
CCCNC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C
Cc1c(oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc12)C(=O)N1CCNCC1
Cc1c(oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc12)C(=O)N1CCOCC1
COC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C
Oc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(cc3)C#N)c2n1
COc1cc(F)ccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
COc1cc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)ccc1F
CC(C)Oc1cc(F)ccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 |r|
CSc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1 |t:7|
CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
C[C@H](CNC(C)=O)Oc1ccc2ncc(-c3cc4ccc(O)cc4o3)n2n1 |r|
C[C@H]1C\C=C/C(=O)C(CCCCc2cc(O)cc(O)c2C(=O)O1)C(C)=O |r,c:3|
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
COc1cc2[nH]ncc2cc1Nc1ccnc2[nH]c(cc12)S(=O)(=O)c1ccc(C)cc1
COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2[nH]cc(F)c12
CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
Nc1cccc2n(ncc12)-c1ncnc2[nH]ccc12
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
[H][C@]12C[C@](N)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
Nc1n[nH]c2cc(cc(NCC3CCOCC3)c12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
CC(=O)N1CCC(CNc2cc(cc3[nH]nc(N)c23)-c2ccc(=O)n(Cc3cccc(Cl)c3)c2)CC1
Nc1n[nH]c2cc(cc(OCC3CCOCC3)c12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(C(=O)NCCCN(C)C)n(C)c12
CC(C)Oc1cc(ccc1Nc1ncnc2ccn(C)c12)C#N
Cn1ccc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12
Cn1ccc2ncnc(Nc3ccc(F)cc3O[C@@H]3CCCOC3)c12 |r|
Cn1ccc2ncnc(Nc3ccc(F)cc3OC3CCCC3)c12
CN(C)CCCNC(=O)c1cc2ncnc(N3CCc4cc(F)ccc34)c2n1C
CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(C(=O)NCC3CCNCC3)n(C)c12
Fc1ccc2N(CCc2c1)c1ncnc2cc[nH]c12
CNC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(nc12)C(=O)NCCN1CCNCC1
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(nc12)C(=O)NCC1CCNCC1
CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CC(C)(C)c2ccccc12
CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CCc2ccccc12
Fc1ccc2N(CCc2c1)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CCc2cc(F)ccc12
CC1(C)CN(c2ccccc12)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
Clc1ccc2N(CCc2c1)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(O)=O
COc1ncc(C)cc1Nc1ncnc2[nH]ccc12
Fc1ccc(Nc2ncnc3[nH]ccc23)nc1
CN(Cc1ccon1)Cc1cc(ccc1O)-c1ccnc2cc(Cl)ccc12
CN1CCC(CC1)C(=O)Nc1ncc(s1)-c1ccccc1
C[C@H](CN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
CC(C)C[C@H](N)c1cc(C#N)c2cc(ccc2n1)-c1ccncc1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n1 |r|
COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)cn1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1Cl)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
Nc1n[nH]c2nc(cc(-c3ccccc3)c12)-c1ccccc1
COc1cccc(c1)-c1cc(-c2ccccc2)c2c(N)n[nH]c2n1
Nc1n[nH]c2nc(cc(-c3ccc(F)cc3)c12)-c1ccccc1
CNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
CN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
CCN(CC)C(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
CC(C)NC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
CCCNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
COCCNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
COCCCNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
O=C(NCCCO)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
CN(C)CCNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
O=C(NC1CC1)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
O=C(NC1CCCC1)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1
O=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCCC1
O=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCNCC1
O=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCOCC1
N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1
N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1
N[C@@H]1CCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1
N[C@H]1CCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1
CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)CC1
O=C(c1ccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)cc1)N1CCNCC1
O=C(c1ccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)cc1)N1CCOCC1
O=C(NC1CCCC1)c1cccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)c1
O=C(c1cccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)c1)N1CCNCC1
O=C(c1cccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)c1)N1CCOCC1
O=C(c1cccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)c1)N1CCNCC1
O=C(c1ccc(-c2ccc3ncc(-c4ccco4)n3c2)cc1)N1CCOCC1
O=C(c1ccc(-c2ccc3ncc(-c4ccoc4)n3c2)cc1)N1CCOCC1
Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)o1
O=C(c1ccc(-c2ccc3ncc(-c4cccs4)n3c2)cc1)N1CCOCC1
O=C(c1ccc(-c2ccc3ncc(-c4ccsc4)n3c2)cc1)N1CCOCC1
Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)s1
N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)s1
Cc1noc(C)c1-c1cnc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cn12
Cn1cc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cn1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCOCC1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5s4)n3c2)cc1)N1CCOCC1
O=C(c1ccc(-c2ccc3ncc(-c4ccc(-c5ccccc5)cc4)n3c2)cc1)N1CCOCC1
O=C(c1ccc(-c2ccc3ncc(-c4ccc(-c5ccccn5)cc4)n3c2)cc1)N1CCOCC1
O=C(c1ccc(-c2ccc3ncc(-c4ccc5occc5c4)n3c2)cc1)N1CCOCC1
O=C(c1ccc(-c2ccc3ncc(-c4ccc5[nH]ccc5c4)n3c2)cc1)N1CCOCC1
CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCCCC1
CN(C)C(=O)c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1
O=C(c1ccc(-c2cn3c(-c4cc5ccccc5o4)cnc3cn2)cc1)N1CCOCC1
CN1CCN(C(=O)c2ccc(-c3cn4c(-c5cc6ccccc6o5)cnc4cn3)cc2)CC1
O=C(c1ccc(-c2cn3c(-c4cc5ccccc5o4)cnc3cn2)cc1)N1CCCCC1
CN(C)C(=O)c1ccc(-c2cn3c(-c4cc5ccccc5o4)cnc3cn2)cc1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCOCC1
CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCCCC1
CN(C)C(=O)c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCNCC1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCNCC1
CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1
CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
CN(C)C1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1
CN(C)C1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCOCC2)CC1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCC(N2CCOCC2)CC1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCC(N2CCCCC2)CC1
NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1
NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)C1
N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)C1
N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)C1
N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)C1
Fc1ccc(-c2cc(C3CCNCC3)n[nH]2)cc1
Fc1cnccc1-c1cc(C2CCNCC2)n[nH]1
Nc1cc(-c2cc(C3CCNCC3)n[nH]2)ccn1
c1cc(-c2cc(C3CCNCC3)n[nH]2)c2cc[nH]c2n1
C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC