3120 SMILES Strings for Rho-associated protein kinase 1

Compound Name
SMILES String
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:3.2,1.1,wD:6.9,(3.37,.47,;2.6,-.86,;3.37,-2.2,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,)|
c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
CCn1c(nc2cnccc12)-c1nonc1N
CCn1c(nc2cnc(OC)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3ccccc3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(C)=O)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3ccc(NC(C)=O)cc3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(c3)C(C)=O)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(c3)S(C)(=O)=O)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(N)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccccc4)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N4CCOCC4)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN)cc4)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN(C)C)cc4)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN5CCOCC5)cc4)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN(C)C)cc4)c3)cc12)-c1nonc1N
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
CC1=NC(=O)NC(C1C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(F)cc1 |t:1|
CC1=C(C(CC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(CC(=O)N1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(CC(=O)N1)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Cc1n[nH]c2ccc(NC(=O)C3=C(C)NC(=O)CC3c3ccc(cc3)C(F)(F)F)cc12 |c:11|
CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1F |t:1|
CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F |t:1|
CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c2[nH]ncc2c1 |t:1|
CCn1c(nc2cncc(OC3CCNCC3)c12)-c1nonc1N
CCn1c(nc2cncc(C(=O)NCCNC)c12)-c1nonc1N
CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N |r|
CCn1c(nc2cncc(C(=O)N3CCNCC3)c12)-c1nonc1N
CCn1c(nc2cncc(C(=O)NC3CCCNC3)c12)-c1nonc1N
CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N
CCn1c(nc2cncc(C(=O)NC3CCNCC3)c12)-c1nonc1N
CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)-c1ccc[nH]1)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)-c1ccoc1)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)-c1cc[nH]c1)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)-c1cn[nH]c1)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)C#CC1CC1)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)C#CC(C)(C)O)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N
CCn1c(nc2c(ncc(OCCCN)c12)C#CCN)-c1nonc1N
CC1=C(C(NC(=N1)c1ccccc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
CC1=C(C(NC(=N1)c1ccc(C)cc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
CC1=C(C(NC(=N1)c1ccc(C)c(F)c1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
CC1=C(C(NC(=N1)c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
CC1=C(C(NC(=N1)c1cccc(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
CC1=C(C(NC(=N1)c1ccncc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
CC1=C(C(NC(=N1)c1cnccn1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
CC1=C(C(NC(=N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
CC1=C(C(NC(=N1)c1ccccn1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
CC1=C(C(NC(=N1)c1ccc(nc1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1)S(C)(=O)=O)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
COc1ccc(cc1)C1=NC(C)=C(C(C)N1)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1)S(N)(=O)=O)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
COc1ccc(cn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:5,t:1|
Cc1n[nH]c2ccc(NC(=O)C3=C(C)N=C(NC3c3ccc(Cl)cc3F)c3ccnc(Cl)c3)cc12 |c:11,14|
COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:12,t:9|
CCOc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:13,t:10|
CC1=C(C(NC(=N1)c1ccnc(C)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:5,t:1|
[H][C@]1(Cc2ccc(cc2)-c2cn[nH]c2)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
[H][C@]1(Cc2ccc(cc2)-c2ccnc(N)c2)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
[H][C@@]1(Cc2ccc(cc2)-c2ccnc(N)c2)NC(=O)c2cc(OC)ccc2N(C)C1=O |r|
[H][C@@]1(Cc2ccc(cc2)-c2ccnc3[nH]ccc23)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
[H][C@@]1(Cc2ccc(cc2)-c2ccnc3[nH]ccc23)NC(=O)c2cc(OC)ccc2N(C)C1=O |r|
CC(=O)Oc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COCCNC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
O=C(COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)Nc1cccnc1
NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COc1cc2nc(nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCN1CCCC1)-c1cccc(NC(=O)CN2CCOCC2)c1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCCN3CCOCC3)c(OC)cc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN(C)C)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccc(OCCOC)cc2n1
CN1c2ccc(Cl)cc2C(=O)N[C@H](CC2CC=C(C=C2)c2ccncc2)C1=O |r,c:17,19|
C[C@@]1(Cc2ccc(cc2)C2CC=NC=C2)NC(=O)c2cc(Cl)ccc2NC1=O |r,c:12,14|
CN1C2=CCCC(Cl)=C2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r,c:7,t:2|
CN1c2cc(Cl)ccc2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r|
CN1C2=C(Cl)CCC=C2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r,c:2,7|
Fc1ccc2CN(Cc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nc2ccccc2o1
COC[C@@H]1CCCN1C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |r|
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NC1CCC1
CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCCc2ccccc12
FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1ccnc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C(Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCC(C1)c1ccccc1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1CCc2ccccc12
O=C(NCc1ccccc1)Nc1nc(cs1)-c1ccncc1
O=C(Nc1nc(cs1)-c1ccncc1)Nc1ccccc1
O=C(NC(=O)c1ccccc1)Nc1nc(cs1)-c1ccncc1
O=C(NCCc1ccccc1)Nc1nc(cs1)-c1ccncc1
CN(Cc1ccccc1)C(=O)Nc1nc(cs1)-c1ccncc1
COc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
COc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
COc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
COc1cccc(CNC(=O)N(C)c2nc(cs2)-c2ccncc2)c1
COc1cccc(CN(C)C(=O)Nc2nc(cs2)-c2ccncc2)c1
Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Nc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
O=C(NCc1cccc2[nH]ccc12)Nc1nc(cs1)-c1ccncc1
CNc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
NC(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CC(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CS(=O)(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Oc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Oc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
COCCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CCCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CC(C)Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
FC(F)(F)Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
FC(F)Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Fc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Fc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Fc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Clc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Clc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Clc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Cc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Cc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Cc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
[O-][N+](=O)c1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
COc1cc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc(OC)c1
COc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1OC
COc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1OC
Clc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c(Cl)c1
Clc1cc(Cl)cc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Fc1cc(F)cc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
O=C(NCc1cccc2ccccc12)Nc1nc(cs1)-c1ccncc1
O=C(NCc1ccco1)Nc1nc(cs1)-c1ccncc1
O=C(NCc1cccnc1)Nc1nc(cs1)-c1ccncc1
O=C(NCc1ccccn1)Nc1nc(cs1)-c1ccncc1
O=C(NCc1ccncc1)Nc1nc(cs1)-c1ccncc1
C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
C[C@@H](N(C)C(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
C[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
C[C@H](N(C)C(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
OC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
OCC(NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1
OC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
CC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
CC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
NC(=O)[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
NC(=O)[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
COC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
COC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
CC(C)(NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1
O=C(NC(c1ccccc1)c1ccccc1)Nc1nc(cs1)-c1ccncc1
COc1cccc(c1)[C@@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
COc1cccc(c1)[C@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
COc1ccc(cc1)[C@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
COc1ccc(cc1)[C@@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
C[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(F)c1 |r|
C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(F)c1 |r|
CC(NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(F)c1
C[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(Cl)c1 |r|
Fc1ccc(NC(=O)Nc2nc(cs2)-c2ccncc2)c(F)c1
Fc1ccc(NC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Fc1ccccc1NC(=O)Nc1nc(cs1)-c1ccncc1
Clc1ccccc1NC(=O)Nc1nc(cs1)-c1ccncc1
O=C(NC1Cc2ccccc2C1)Nc1nc(cs1)-c1ccncc1
O=C(NCc1nc2ccccc2[nH]1)Nc1nc(cs1)-c1ccncc1
O=C(N[C@@H]1CCc2ccccc12)Nc1nc(cs1)-c1ccncc1 |r|
O=C(N[C@H]1CCc2ccccc12)Nc1nc(cs1)-c1ccncc1 |r|
O=C(N[C@@H]1CCCc2ccccc12)Nc1nc(cs1)-c1ccncc1 |r|
O=C(N[C@H]1CCCc2ccccc12)Nc1nc(cs1)-c1ccncc1 |r|
O=C(Nc1nc(cs1)-c1ccncc1)N1CCc2ccccc2C1
O=C(Nc1nc(cs1)-c1ccncc1)N1CCN(CC1)c1ccncc1
O=C(Nc1nc(cs1)-c1ccncc1)N1CCN(Cc2ccccc2)C[C@@H]1Cc1ccccc1 |r|
O=C(Nc1nc(cs1)-c1ccncc1)N1CCN(CC1)C(=O)c1ccco1
O=C(Nc1nc(cs1)-c1ccncc1)N1CCN(CC1)c1ccncn1
O=C(Nc1nc(cs1)-c1ccncc1)N1CCN(CC1)c1cccnc1
O=C(Nc1nc(cs1)-c1ccncc1)N1CCN(CC2CCCO2)CC1
CCCCCCCCCN(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CCCN(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CN(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CC(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r|
CCCC(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CCC[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r|
CCC[C@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r|
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC1(CC1)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(O)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1csc(n1)-c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN1CCOCC1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(COC(=O)NC(C)(C)C)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN1CCN(C)CC1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN1CCCC1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccn1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1nc2ccccc2s1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)-c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccnc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1
COc1ccccc1CNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1OC(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1C
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1ccc(F)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(OC(F)(F)F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(Cl)c1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)(C)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1O
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(Cl)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1S(=O)(=O)CC(C)C
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc2OCOc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](C)[C@H](O)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)cc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](C)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Br)cc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(OCC(C)C)cc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1SCC(C)C
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Oc2ccccc2)cc1Cl
COc1ccc(F)c(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)c(OC)c1F
COc1ccc(F)c(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)cc(F)c1
COc1cc(ccc1C(=O)NCc1ccccc1Cl)-c1cn[nH]c1
COc1cccc(CNC(=O)c2ccc(cc2OC)-c2cn[nH]c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1cn[nH]c1
COc1cccc(CNC(=O)c2ccc(-c3c[nH]nc3C)c(OC)c2)c1
COc1cc(ccc1-c1c[nH]nc1C)C(=O)NCc1ccccc1Cl
COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1C)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1S(C)(=O)=O)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1F)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(O)=O
CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)N1CCCC1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1cc(F)cc(F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H]1C[C@H]1c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)ccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)N(C)CCc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N(C)Cc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc2ccccc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)c(F)c(F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(Cl)ccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc2nc(N)sc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(OC(F)F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)c(F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)ccc(C)c1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1cccc(CN2CCN(C)CC2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)ccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1(C)CC1
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(CN(C)C)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc2[nH]ncc12
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)N1CCCC1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)ccc(F)c1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cc(F)cc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CCO)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)cc(F)c1F
COC(=O)C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(NS(C)(=O)=O)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)N(C)C
COc1cc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)ccc(F)c1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)N(C)C(C)=O
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccc2OCCOc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC1=CCC2NC(=O)NC2=C1 |c:28,t:19|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(Cl)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc2sccc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc2OCCc2c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1 |r|
COC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1Cl)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)Cc1ccc(F)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 |r|
COC[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)[C@@H](O)c1ccccc1 |r|
COc1cccc(CCNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
COc1cccc(c1)C1(CC1)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@H](C)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(C#N)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1cccc(c1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1ccc(cc1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(O)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@@H](O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1cccc(O)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(N1CCCC1)c1ccccc1
COc1ccccc1CCNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@@H](O)c1cccc(Cl)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)Cc1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@@H](C)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@H](O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(O)c1cccc(Cl)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(N1CCNCC1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](CO)Cc1ccccc1 |r|
COC(=O)c1cc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F
COc1cccc(n1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)(F)F |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(Cn2ccnn2)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C#N
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1c(F)cccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(cc1)C#N
COc1cccc(c1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C
COc1ccc(F)c(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)cc1Cl
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccc(F)cc1 |r|
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cccc1Cl
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2c(C)n[nH]c2C)c(C)c1 |r,wD:8.9,(8.11,-3.96,;7.34,-2.62,;5.8,-2.62,;5.03,-3.96,;3.49,-3.96,;2.72,-2.62,;3.49,-1.29,;5.03,-1.29,;2.72,.04,;3.49,1.38,;1.18,.04,;.41,1.38,;1.18,2.71,;-1.13,1.38,;-1.9,2.71,;-3.44,2.71,;-4.21,1.38,;-5.75,1.38,;-6.65,.13,;-5.88,-1.2,;-8.11,.61,;-8.11,2.15,;-6.65,2.62,;-5.88,3.96,;-3.44,.04,;-4.21,-1.29,;-1.9,.04,)|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OCC(C)(C)O)c1)c1ccccc1 |r|
COC(=O)C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1 |r|
COC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1cccc(O)n1
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1 |r|
COc1cccc(CNC(=O)c2ccc(cc2CO)-c2cn[nH]c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CO)c1ccccc1F
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccc(F)cc1 |r|
CC(NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1cccc(O)n1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CCN(C)C)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C=C)c1c(F)cccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CO)c1c(F)cccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](C)c1cccc2ccccc12 |r|
COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(c1ccccc1F)C(C)(C)O
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C(O)CO)c1c(F)cccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](CO)c1c(F)cccc1F |r|
CCc1ccccc1CNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(O)c1)c1ccc(F)cc1 |r|
COc1cc(ccc1C(=O)NCc1c(F)cccc1Cl)-c1c[nH]nc1C
COc1cc(ccc1C(=O)NCc1c(F)cccc1Cl)-c1cn[nH]c1
C[C@@H](NC(=O)c1cc(F)c(cc1F)-c1cn[nH]c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(Cc1ccccc1)C(C)=O
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)S(C)(=O)=O)c1ccccc1 |r|
COc1cc(ccc1C(=O)NCc1c(F)cccc1Cl)-c1c[nH]nc1C(F)(F)F
COc1cc(-c2cn[nH]c2)c(F)cc1C(=O)N[C@H](C)c1ccccc1 |r|
CCOc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
CCOc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1ccc(F)cc1 |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1ccccc1 |r|
CCOc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1c(F)cccc1F |r|
Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1c(F)cccc1F |r|
COc1c(F)c(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(Cl)c1)c1c(F)cccc1F |r|
COc1cc(ccc1C(=O)N[C@H](CO)c1c(F)cccc1F)-c1cn[nH]c1 |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)(F)F)c1c(F)cccc1F |r|
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(cc1OC)-c1cn[nH]c1
COc1cc(ccc1C(=O)N[C@H](CO)Cc1ccccc1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)NC(CO)c1ccccc1F)-c1cn[nH]c1
COc1cc(ccc1C(=O)N[C@H](C)c1ccc(F)cc1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)NCc1c(F)cccc1F)-c1cn[nH]c1
COc1cc(ccc1C(=O)NC(CCN(C)C)c1ccccc1)-c1cn[nH]c1
COc1cc(ccc1C(=O)N[C@H](CCO)c1ccccc1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)NCc1ccc(F)cc1Cl)-c1cn[nH]c1
OCCc1cc(ccc1C(=O)NCc1ccccc1)-c1cn[nH]c1
COc1cc(ccc1C(=O)NC(c1ccccc1F)C(C)(C)O)-c1cn[nH]c1
COc1cccc(CNC(=O)c2ccc(cc2N)-c2cn[nH]c2)c1
COc1cc(ccc1C(=O)N[C@H](CO)[C@H](O)c1ccccc1)-c1cn[nH]c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CO |r|
COc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CO)-c1cn[nH]c1 |r|
Nc1cc(ccc1C(=O)NCCCc1ccccc1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1c(F)cccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC1(CCC1)c1ccccc1
COc1cc(ccc1C(=O)NC(C)c1c(F)cccc1Cl)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H]([C@H](O)CO)c1ccccc1 |r|
COc1cc(ccc1C(=O)N[C@H]([C@H](O)CO)c1ccccc1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)NC(C)c1c(F)cccc1F)-c1cn[nH]c1
COc1cc(ccc1C(=O)NCc1cccc(c1)S(N)(=O)=O)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)S(N)(=O)=O
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN)Cc1ccccc1
COc1cc(ccc1C(=O)NC(CN)Cc1ccccc1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)N(C)C
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC1CC1
CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(O)=O
CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
CCN1CCCC1CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)c(c1)C(O)=O
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC1CC1
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC[C@H]1CCCN1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CCNCc2s1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CCN(C)CC1
COc1cc(ccc1C(=O)NCc1cccc(c1)C(=O)NC1CCN(C)CC1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(N)=O
Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CC(O)=O)c1ccccc1 |r|
CNC(=O)C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CC(=O)NCC(C)(C)O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1 |r|
CC(=O)NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1 |r|
CC(C)(O)COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1 |r|
NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OCCO)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CNC(C)=O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CNS(C)(=O)=O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CNS(=O)(=O)C1CC1)c1ccccc1 |r|
CCS(=O)(=O)NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
CC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1c(F)cccc1F |r|
CCNC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1c(F)cccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CNC1CC1)c1c(F)cccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1C(C)C
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r,w:1.0|
C[C@H](O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
C[C@@H](O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(CO)c1)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(CO)c1)c1ccccc1 |r|
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1 |r|
COC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(C)O)c1ccccc1 |r|
CC(NC(=O)c1ccc(-c2cn[nH]c2)c(C=O)c1)c1ccccc1F
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1F
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1F |r|
CCC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1
CCC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1 |r|
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1c(F)cccc1F
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cccc1Cl
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1c(F)cccc1F |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(C)=O)c1ccccc1 |r|
COC(=O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)N(C)C)c1ccc(F)cc1 |r|
CNc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N(Cc1ccccc1F)CC(C)(C)O
CC(NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)F)c1ccccc1F
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)F)c1ccccc1F |r|
C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)F)c1ccccc1F |r|
COC(=O)c1n[nH]cc1-c1ccc(C(=O)N[C@H](C)c2cccc(OC)c2)c(OC)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C#N |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c(C)n[nH]c1C |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1CO |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C(C)O |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
C[C@@H](NC(=O)c1cc(F)c(cc1OCCN(C)C)-c1c[nH]nc1C)c1ccccc1 |r|
C[C@H](NC(=O)c1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1)c1ccccc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OCCN(C)C)-c1c[nH]nc1C |r|
COc1cc(cc(F)c1C(=O)N[C@H](C)c1ccccc1)-c1cn[nH]c1 |r|
CCOc1cc(ccc1C(=O)N[C@H](C)c1cccc(OC)c1)-c1cn[nH]c1 |r|
COCCOc1cc(ccc1C(=O)N[C@H](C)c1cccc(OC)c1)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OCCO)-c1cn[nH]c1 |r|
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(C)O
CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:27|
COc1ccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1 |c:24|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(Cl)cccc1Cl)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:29|
CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:18|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ncccc1C)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(cccc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1 |c:25|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
COc1cccc(OC)c1CNC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:30|
NCCS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(C)NCC(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CN(C)CC(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCC(O)CNC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cc(ccc1C(O)=O)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
N(c1nnc(s1)-c1cccc(c1)-c1nnco1)c1ccc2[nH]ncc2c1
CC(C)NC(=O)COc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CCS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CN(CC(O)CO)C(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
OCCN(c1nnc(s1)-c1cnccn1)c1ccc2[nH]ncc2c1
Nc1cncc(n1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CCS(=O)(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cnc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CCn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
N(c1nnc(s1)-c1cccc(c1)-c1cn[nH]c1)c1ccc2[nH]ncc2c1
CS(=O)(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCCn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
COc1cccc(c1)-c1nnc(s1)N(CCO)c1ccc2[nH]ncc2c1
OC(=O)COc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(C)NC(=O)COc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
N(c1nnc(s1)-c1cnccn1)c1ccc2[nH]ncc2c1
N(c1nnc(s1)-c1cccc(c1)-c1cnco1)c1ccc2[nH]ncc2c1
Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC1CCN(C1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
C1CNC(CN1)c1nnc(Nc2ccc3[nH]ncc3c2)s1
N(c1nnc(s1)-c1cccc(c1)-c1ncco1)c1ccc2[nH]ncc2c1
O=C(Nc1cccc(n1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1c[nH]cn1
O=C(Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1c[nH]cn1
C1CNCC(C1)c1nnc(Nc2ccc3[nH]ncc3c2)s1
COc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
NC1CCN(C1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
O=C(N1CCN(CC1)c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1ccnnc1
O=C(Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1c[nH]cn1
N[C@@H]1CCN(C1)c1nnc(Nc2ccc3[nH]ncc3c2)s1 |r|
Cc1cc([nH]n1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cc1cc(no1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1ccc(n1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1nccc1C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cc1cnoc1C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
O=N(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
O=C(Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1cn[nH]c1
Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
C1CN(CCN1)c1nnc(Nc2ccc3[nH]ncc3c2)s1
O=C(Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1c[nH]cn1
O=C(Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1cccnc1
CC(C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)c1ccc(F)cc1
Clc1c(Nc2nnc(s2)-c2ccnc(NC(=O)N3CCOCC3)c2)ccc2[nH]ncc12
Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COCCOC(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)c1ccc(F)cc1
CCCOC(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1cc(CC(=O)Nc2cc(ccn2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cn1
Fc1ccc(CC(=O)Nc2cc(ccn2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
CC1CCCCC1C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)c1c(Nc2nnc(s2)-c2cccc(NC(C)=O)c2)ccc2[nH]ncc12
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2C)s1
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2C=C)s1
CC1(CCCCC1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)(C)CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)C3CCCCC3)c2)ccc2[nH]ncc12
CC(C)(C)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CCc1c(Nc2nnc(s2)-c2cccc(NC(C)=O)c2)ccc2[nH]ncc12
FC(F)(F)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
FC(F)(F)CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN1CCN(CC1)C(=O)Nc1ccc(cc1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)N3CCNCC3)c2)ccc2[nH]ncc12
CC(C)(O)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
N[C@@H](CO)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
CN1CC(C1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)C#N)ccc2[nH]ncc12
C[C@H](N)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
CN1CCC(CC1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)C3CCNCC3)c2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)C3CNC3)c2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc3OCCOc23)ccc2[nH]ncc12
CC(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Cc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Oc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)c1ccccn1
FC(F)(F)c1cccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)n1
OC1(COC1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2C(F)(F)F)s1
CC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)(O)CNC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)nc1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ncccn3)c2)ccc2[nH]ncc12
Cc1cccc(CNC(=O)c2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)n1
CC(C)(CO)NC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Oc1cc(O)cc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COc1ncc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
Fc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COc1cc(OC)cc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
OC(=O)Cn1cc(cn1)C(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CN(C(C)=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)C[C@H](N)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
CC(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN(c1nnc(s1)-c1cccc(NC(C)=O)c1)c1ccc2[nH]ncc2c1Cl
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ncc[nH]3)c2)ccc2[nH]ncc12
CCOc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
NC(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ccon3)c2)ccc2[nH]ncc12
Cn1cc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cn1
Cc1cnn(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Br)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ccc(cc3)C#N)c2)ccc2[nH]ncc12
Cn1ccnc1CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ccccn3)c2)ccc2[nH]ncc12
Cc1cc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)on1
Fc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3cnccn3)c2)ccc2[nH]ncc12
COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)c3cnccn3)c2)ccc2[nH]ncc12
COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
C1CN(CCN1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
NCCn1cc(cn1)C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]nc(F)c3c2)s1
Cn1cc(cn1)C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]nc(Cl)c3c2)s1
Cn1cc(cn1)C(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CNCc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OC(=O)CS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
NCCn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
NCc1cncc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCC(O)Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCC(O)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCCS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
NCc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1cccc(n1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1ccnc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Fc1c(Nc2nnc(s2)-c2cccc(NC(=O)c3c[nH]cn3)c2)ccc2[nH]ncc12
[O-][N+](=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1cccc(c1)-c1nsc(Nc2ccc3[nH]ncc3c2)n1
CC(=O)c1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccn2C2COC2)ccc2[nH]ncc12
CN1CCN(C1=O)c1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccn2CCN2CCOCC2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccn2CCN2CCCC2)ccc2[nH]ncc12
CN(C)CCn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
N(c1nnc(s1)-c1cncc(c1)-c1cccs1)c1ccc2[nH]ncc2c1
Clc1c(Nc2nnc(s2)-c2cncc(c2)-c2cccs2)ccc2[nH]ncc12
Cc1coc(n1)-c1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN1CCN(C(=O)C1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN(C)Cc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
OCc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
CN1C(=O)Cc2c1cccc2-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nnn[nH]2)ccc2[nH]ncc12
OCCn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COCCn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)n1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Oc1cccc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cc1coc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cc1coc(n1)-c1cc(F)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC1(C)COC(=N1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |c:5|
CC1(C)CN=C(O1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |c:4|
COc1cccc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccs2)ccc2[nH]ncc12
Fc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
Cc1cccc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
NC(=O)c1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
OC(=O)c1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2ncco2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cncc(c2)-c2ncco2)ccc2[nH]ncc12
CC(=O)Nc1cc(CSC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CCN(CC)Cc1cc(NC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN1CCN(Cc2cc(NC(C)=O)cc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)CC1
CN(C)Cc1cc(NC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(CN2CCOCC2)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1ccc(c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)S(C)(=O)=O
CSc1ccc(NC(C)=O)cc1-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1ccc(Cl)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(CO)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1ccc(C)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COc1ccc(NC(C)=O)cc1-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN(C)Cc1ccc(cc1NC(C)=O)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
OCCn1cc(cn1)C(=O)Nc1cc(ccc1C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1cc(cn1)C(=O)Nc1cc(ccc1C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(ccc1C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(ccc1-c1ncco1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)N1CCC(CC1)C(O)=O
Cn1cc(cn1)C(=O)Nc1cc(CC(O)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(CC(O)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)N1CCOCC1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)N1CCNCC1
CN(C)CCNC(=O)c1cc(NC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)NCC(O)CO
CC(C)(C)OC(=O)Cc1cc(cc(c1)[N+]([O-])=O)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1cc(cn1)C(=O)Nc1cc(ccc1Br)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CNC(=O)c1cc(NC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(N)=O
Cn1cc(cn1)C(=O)Nc1cc(OC=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)C(N)=O
CC(=O)Nc1cc(OC=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(=O)Nc1cc(C)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(=O)Nc1cc(ccc1C(O)=O)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CCc1cn2cccc(-c3nnc(Nc4ccc5[nH]nc(C)c5c4)s3)c2n1
FC(F)(F)c1nc2c(cc(Br)cn2n1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)C2CCCO2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)-c2ccc(cc2)C#N)ccc2[nH]ncc12
OC(=O)c1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CC(=O)c1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CC(C)(O)c1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CC(C)(C)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)C2CCCN2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)C2CCNCC2)ccc2[nH]ncc12
Cc1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CC(C)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
FC(F)(F)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CCc1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)-c2ccc(Br)cc2)ccc2[nH]ncc12
Brc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c2nccn2c1
Brc1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2n1
N(c1nnc(s1)-c1cccn2ccnc12)c1ccc2[nH]ncc2c1
CCCCOC(=O)N(c1nnc(s1)-c1cccc(NC(=O)Cc2ccc(F)cc2)c1)c1ccc2[nH]ncc2c1Cl
CCOC(=O)N(c1nnc(s1)-c1cccc(NC(=O)Cc2ccc(F)cc2)c1)c1ccc2[nH]ncc2c1Cl
CN(c1nnc(s1)-c1cccc(NC(=O)Cc2ccc(cc2)C#N)c1)c1ccc2[nH]ncc2c1Cl
CN(c1nnc(s1)-c1cccc(NC(=O)Cn2cc(C)cn2)c1)c1ccc2[nH]ncc2c1Cl
CN(c1nnc(s1)-c1cccc(NC(=O)Cc2ccc(F)cc2)c1)c1ccc2[nH]ncc2c1Cl
CN(c1nnc(s1)-c1cccc(NC(C)=O)c1)c1ccc2[nH]ncc2c1
CN(C)CCn1cnc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc3n(CCN4CCOCC4)cnc23)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc3n(CCN4CCCC4)cnc23)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc3[nH]c(nc23)-c2cccs2)ccc2[nH]ncc12
CN1C(=O)Cc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c12
Clc1c(Nc2nnc(s2)-c2cccc3NC(=O)Cc23)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc3CC(=O)Nc23)ccc2[nH]ncc12
Cn1c(nc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)C1CCOCC1
Cn1c(nc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)C1CC1
Nc1nc(c[nH]1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1=O
COc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
C1N(Cc2ccccc12)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1ncc(F)c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1ncc(C)c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc(C)cc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc2COCc2c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1ccnc(Nc2ccc3[nH]ncc3c2)n1
Fc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(CCc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
C1Cc2sccc2CN1c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1cc(Nc2ccc3[nH]ncc3c2)ncn1
COc1ccc2CN(Cc2c1)c1cc(Nc2ccc3[nH]ncc3c2)nc(C)n1
C1N(Cc2cnccc12)c1nccc(Nc2ccc3[nH]ncc3c2)n1
C1OCc2c1nc(nc2Nc1ccc2[nH]ncc2c1)N1Cc2ccccc2C1
COc1ccc2CN(Cc2c1)c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
COc1ccc2CN(Cc2c1)c1nccc(Nc2ccncc2)n1
COc1ccc2CN(Cc2c1)c1nccc(Nc2ccc(cc2)-c2ccncc2)n1
COc1ccc2CN(Cc2c1)c1nc2CCOCc2c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc2CNCc2c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc2CNCCc2c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc2CN(C)CCc2c(Nc2ccc3[nH]ncc3c2)n1
N#Cc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COCc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
Fc1ccc2CN(Cc2c1)c1nc2COCc2c(Nc2ccc3[nH]ncc3c2)n1
COc1nc(nc(Nc2ccc3[nH]ncc3c2)c1OC)N1Cc2ccccc2C1
Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Nc1nccc(Nc2ccccc2)n1
Nc1nccc(Nc2cccc(c2)S(N)(=O)=O)n1
NC(=O)c1ccc(Nc2ccnc(N)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
Nc1nccc(Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2)n1
NC(=O)c1cccc(Nc2ccnc(N)n2)c1
CS(=O)(=O)c1cccc(Nc2ccnc(N)n2)c1
Nc1nccc(n1)N1CCc2ccccc12
CSc1ccc(Nc2ccnc(N)n2)cc1
COC(=O)c1cccc(Nc2ccnc(N)n2)c1
COC(=O)c1ccc(Nc2ccnc(N)n2)cc1
Nc1nccc(n1)N1CCCc2ccccc12
CC1Cc2ccccc2N1c1ccnc(N)n1
Nc1nccc(Nc2ccc(cc2)[N+]([O-])=O)n1
Nc1nccc(Nc2cccc(c2)[N+]([O-])=O)n1
COc1cccc(Nc2ccnc(N)n2)c1
Nc1nccc(Nc2ccc(OC(F)F)cc2)n1
Nc1nccc(n1)N1CCc2cc(Cl)ccc12
Nc1nccc(n1)-n1cnc2ccccc12
Nc1nccc(n1)-n1ccc2ccccc12
Nc1nccc(n1)N1CCc2ccc(cc12)[N+]([O-])=O
Nc1nccc(n1)N1CCc2cc(F)ccc12
CS(=O)(=O)c1ccc2N(CCc2c1)c1ccnc(N)n1
CC1Cc2cc(ccc2N1c1ccnc(N)n1)[N+]([O-])=O
Nc1nccc(n1)N1CCc2cc(Br)ccc12
CC1CN(c2ccccc12)c1ccnc(N)n1
CC1Cc2cc(Cl)ccc2N1c1ccnc(N)n1
Nc1nccc(n1)N1CCc2cc(ccc12)S(N)(=O)=O
CC1Cc2cc(F)ccc2N1c1ccnc(N)n1
Nc1nccc(n1)N1CCc2ccc(F)cc12
Nc1nccc(n1)-n1ccc2ccc(F)cc12
Nc1nccc(n1)-n1ccc2cc(Br)ccc12
Nc1nccc(n1)-n1ccc2ccc(Cl)cc12
COc1ccc2ccn(-c3ccnc(N)n3)c2c1
Nc1nccc(n1)-n1ccc2c(OCc3ccccc3)cccc12
COc1ccc2n(ccc2c1)-c1ccnc(N)n1
Cc1ccc2n(ccc2c1)-c1ccnc(N)n1
COc1ccc2n(cc(CCNC(C)=O)c2c1)-c1ccnc(N)n1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1ccccc1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCCc1ccccc1
Nc1nccc(n1)-n1ccc2cc(NC(=O)Cc3ccccc3)ccc12
Nc1nccc(n1)-n1ccc2cc(NC(=O)CCc3ccccc3)ccc12
Nc1nccc(n1)-n1ccc2cc(ccc12)C(=O)NCCc1ccccc1
Nc1nccc(n1)-n1ccc2cc(ccc12)C(=O)NCc1ccccc1
Nc1nccc(n1)N1CCc2c1cccc2OCc1ccccc1
Nc1nccc(n1)-n1ccc2cc(OCc3ccccc3)ccc12
Nc1nccc(n1)-n1ccc2c(OCCc3ccccc3)cccc12
Nc1nccc(n1)-n1ccc2c(OCc3ccc(Cl)cc3)cccc12
Nc1nccc(n1)-n1ccc2c(OCc3cccc(Cl)c3)cccc12
Nc1nccc(n1)-n1ccc2c(OCc3ccccc3Cl)cccc12
COc1cccc(CNC(=O)c2cccc3n(ccc23)-c2ccnc(N)n2)c1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1cccc(Cl)c1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1cccc(F)c1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1ccc(F)cc1
CC(NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1)c1ccccc1
COc1ccccc1CNC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1
C[C@H](NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1)c1ccccc1 |r|
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1ccccc1F
COc1cccc(CC(=O)Nc2cccc3n(ccc23)-c2ccnc(N)n2)c1
CS(=O)(=O)Nc1cccc(CNC(=O)c2cccc3n(ccc23)-c2ccnc(N)n2)c1 |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
CC(=O)Nc1cccc(CNC(=O)c2cccc3n(ccc23)-c2ccnc(N)n2)c1 |$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
CC[C@@H](NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1)c1ccccc1 |r|
COC[C@H](NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1)c1ccccc1 |r|
COc1cccc(CN(C)C(=O)c2cccc3n(ccc23)-c2ccnc(N)n2)c1
COc1cccc(CNC(=O)c2cccc3n(ccc23)-c2ccnc(NC(C)=O)n2)c1
COCCOc1cccc(CNC(=O)c2cccc3n(ccc23)-c2ccnc(N)n2)c1
CCOc1cccc(CNC(=O)c2cccc3n(ccc23)-c2ccnc(N)n2)c1
CN(C(C)=O)c1cccc(CNC(=O)c2cccc3n(ccc23)-c2ccnc(N)n2)c1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1cccc(c1)N1CCCC1=O
COc1cccc(CNC(=O)c2cccc(Nc3ccnc(N)n3)c2)c1 |$;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
COc1cccc(CNS(=O)(=O)c2cccc(Nc3ccnc(N)n3)c2)c1 |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
COc1cccc(c1)[C@@H](C)NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1 |r|
COc1cccc(c1)[C@H](C)NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1 |r|
Nc1nccc(Nc2cccc(Cl)c2)n1 |$;;;;;;HN;;;;;;;;$|
COc1cccc(CNC(=O)c2cccc3N(CCc23)c2ccnc(N)n2)c1
CC[C@H](NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1)c1ccccc1 |r|
O=C(COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)N[C@@H]1CCNC1 |r|
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1cccc(OCC(=O)NC2CC2)c1
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1cccc(OCC(=O)NC2CCNCC2)c1
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
NC(=O)COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)NC1CC1
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCNCC1
CC(C)NC(=O)COc1cccc(c1)-c1ncc(C)c(Nc2ccc3[nH]ncc3c2)n1
O=C(COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)NC1CCC1
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1cccc(OCC(=O)Nc2ccnnc2)c1
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1cccc(OCC(=O)NC2CCCC2)c1
CC(C)NC(=O)COc1cccc(c1)-c1ncc(c(Nc2ccc3[nH]ncc3c2)n1)C(F)(F)F
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)C(F)(F)F
Cc1cc(Nc2ccc3[nH]ncc3c2)nc(n1)-c1cccc(OCC(=O)NC2CC2)c1
Cc1nc(nc(Nc2ccc3[nH]ncc3c2)c1C)-c1cccc(OCC(=O)NC2CC2)c1
CC(C)NC(=O)COc1cccc(c1)-c1nc(C)c(C)c(Nc2ccc3[nH]ncc3c2)n1
Cc1nc(nc(Nc2ccc3[nH]ncc3c2)c1C)-c1cccc(OCC(=O)NC2CCC2)c1
O=C(CN1CCOCC1)Nc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)N1CCOCC1
O=C(Nc1cccnc1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(N1CCOCC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(N)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NN1CCOCC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(N)c1ccc(cc1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCOCC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NCCOc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCNCC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCNCC1
CN1CCC(CC1)NC(=O)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(OCCN(C)C)n1
O=C(NC1CCS(=O)(=O)CC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:6.9,wD:3.2,(-5.43,-.71,;-4.66,.62,;-5.43,1.96,;-3.12,.62,;-2.35,-.71,;-.81,-.71,;-.04,.62,;-.81,1.96,;-2.35,1.96,;1.5,.62,;2.27,-.71,;2.27,1.96,;3.81,1.96,;4.58,.62,;6.12,.62,;6.89,1.96,;6.12,3.29,;4.58,3.29,)|
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
COc1ccc2CN(Cc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccccc2C1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1cccnc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NCc1ccccc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccncc1
CN(Cc1ccccc1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nc2ccccc2[nH]1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCC(CC1)c1ccccc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NCC1CC1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCN(CC1)c1ncccn1
COc1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCC(Cc2ccccc2)CC1
CC(=O)N[C@H]1C[C@@]1(c1ccccc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccccc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccc2ncsc2c1
CN(C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
c1ccc2c(c1)CCN2C(=O)Cc3ccc(cc3)C4=NNC(=O)c5c4cccc5
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccc2OCCOc2c1
CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)CC1
Cc1cc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)on1
Cc1cc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)no1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nccs1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nncs1
Clc1ccc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)nn1
Cc1nnc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)s1
Cc1ccc2N(CCc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)(F)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CC1(C)OB(OC1(C)C)c1ccc(CC(=O)N2Cc3ccccc3C2)c(F)c1
Fc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
CC1(C)CN(C(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC1Cc2ccccc2N1C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CC(C(=O)N1CCc2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C(=O)N1Cc2ccccc2C1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1Cc2ccccc2C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1csc(n1)-c1ccncc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1csc(n1)-c1ccccc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ncc(s1)-c1ccncc1
Fc1cc(F)cc(c1)N(C(=O)c1cscn1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1csc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN1CCc2nc(sc2C1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nc2CCCCc2s1
[O-][N+](=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CCN(Cc2ccccc2)CC1
COCCN1CCC(C1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CCN(Cc2ccccc2)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cccc(c1)N1CCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCOCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)-n1ccnc1
CN(C)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
COc1ccc2CN(Cc2c1)C(=O)Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1ccc2CN(Cc2c1)C(=O)Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Oc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)CC1
O=c1[nH]nc(-c2ccc(Nc3ncc(o3)-c3ccccc3)cc2)c2ccccc12
O=c1[nH]nc(-c2ccc(Nc3nc(cs3)-c3ccccc3)cc2)c2ccccc12
O=c1[nH]nc(-c2ccc(Nc3nc4ccccc4o3)cc2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccccc12
O=c1[nH]nc(-c2ccc(Nc3ncc4ccccc4n3)cc2)c2ccccc12
COc1ccc2CCN(C(=O)Nc3ccc(cc3)-c3c[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N[C@@H]1CCc2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N[C@H]1CCc2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCc3ccccc3)cc12
O=c1[nH]nc(-c2ccc(Nc3nc4ccccc4s3)cc2)c2ccccc12
O=c1[nH]nc(-c2ccc(Nc3nncc4ccccc34)cc2)c2ccccc12
Cc1ccc2oc(Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)nc2c1
O=c1[nH]nc(-c2ccc(Nc3nnc(s3)-c3ccccc3)cc2)c2ccccc12
O=c1[nH]nc(-c2ccc(Nc3ncc(s3)-c3ccccc3)cc2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn2ccccc2n1
Cn1c(cc2ccccc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CCc2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)-n1cncn1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1onc2ccccc12
CN(C)c1ccc2cc([nH]c2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nc2ccccn2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1c(cc2cc(Cl)ccc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC1(C)CCc2[nH]cc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2C1=O
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(Cc2ccccc2)c2ccccc12
CCOc1ccc2oc(C)c(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cc2ncccn2n1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnc2ccccn12
Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Oc1cccc2OC(Cc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCn1c(cc2ccccc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)c1c(cn2nc[nH]c(=O)c12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2CCCC(=O)c12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ncccc12
CN1Cc2occ(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2C(=O)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nc2ncccn2n1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2cccnc12
Clc1ccc2[nH]nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nc2ccccc2s1
Cn1nc2CCCCc2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1cccc2[nH]cc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1noc2ccccc12
Clc1cnc2[nH]c(cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1cnc2[nH]cc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1cn2cc(nc2cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1cc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
COc1ccc2[nH]nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Clc1nccn2cc(nc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1ccn2cc(nc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2cc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)n(C)c2c1
CC(C)Oc1ccc2cc([nH]c2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1cccc2cc([nH]c12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCOc1ccc2n(C)c(cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc2ccccc2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)n1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn2ccncc2n1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn2CCCCc2n1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1c[nH]c2ncccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cc2ccccc2n1Cc1ccccc1
CC(C)(O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)Cn1cc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
Cc1nc2cc(C)ccn2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCc1nc2ncccn2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2c(cnn2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN(C)CCN(C(=O)c1n[nH]c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(N(CC1COC1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1[nH]nc2ccccc12
O=C(N(CC1COC1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
CC1(CN(C(=O)c2n[nH]c3ccccc23)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)COC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CCOC2)c2ccccc12
OC(COCc1ccccc1)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CCCO2)c2ccccc12
OCC(O)CN(C(=O)c1n[nH]c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(N(CC1CCOCC1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
COCCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(N(CC1CCO1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
CC(O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
COCCOCCN(C(=O)c1n[nH]c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
OCCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(N(CCC1CCOCC1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
O=C(N(CCOCc1ccccc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
Fc1ccc2c(nn(CC3COC3)c2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(Cc2ccccn2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(Cc2cccnc2)c2ccccc12
O=C(N(CCCOCc1ccccc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
COCCCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OCCCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(Cc2ccncc2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1c[nH]c2ccncc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2cc(F)ccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CCCCO2)c2ccccc12
CC(C)(O)Cn1cc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2cccnc12
Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)COc1ccc2c(cnn2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1ccc2n(CC3CCOC3)nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Fc1ccc2c(nn(CC3CCOC3)c2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COCCOc1ccc2c(cnn2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2cc(OCCN3CCCC3)ccc12
CN(C)CCON(C(=O)c1cnn2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)=C(F)N(C(=O)c1n[nH]c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |(-13.76,-7.11,;-12.73,-8.25,;-13.2,-9.72,;-11.22,-7.93,;-10.74,-6.47,;-10.19,-9.08,;-8.68,-8.76,;-7.65,-9.9,;-8.21,-7.29,;-9.11,-6.05,;-8.21,-4.8,;-6.74,-5.28,;-5.41,-4.51,;-4.08,-5.28,;-4.08,-6.82,;-5.41,-7.59,;-6.74,-6.82,;-10.67,-10.54,;-12.17,-10.86,;-12.65,-12.33,;-11.62,-13.47,;-10.11,-13.15,;-9.64,-11.68,;-12.09,-14.93,;-13.6,-15.25,;-14.08,-16.72,;-13.05,-17.86,;-13.52,-19.33,;-11.54,-17.54,;-10.51,-18.69,;-9,-18.37,;-8.53,-16.9,;-9.56,-15.76,;-11.06,-16.08,)|
COc1cc2cc(oc2cc1F)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)COc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
COc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2ccc(OCCN3CCCC3)cc12
COCCOc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CC(O)COc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
OCCOc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2ccc(OCCN3CCOCC3)cc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2cc(OCCN3CCOCC3)ccc12
Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)(F)c1c(cnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)-c1ccccc1
Cn1ncc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1-c1ccccc1
Fc1c(Cl)cccc1C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |t:9|
COCC(O)COc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1cccc(c1)-n1cnc(c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CC(=NO1)c1ccccc1 |c:25|
COc1ccccc1-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Clc1cccc(c1)-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Clc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(Cc2ccccc2)c1
Cn1nc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |TLB:13:8:15:12.14.11,13:12:15:9.8.7,THB:7:6:9.8.13:11,7:8:6.15.14:11,5:6:9.8.13:11|
Fc1c(Cl)cccc1CN(C(=O)c1cn[nH]c1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1cccc(c1)-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCn1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(nn1C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc(cc1C(C)(C)C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(nn1Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cccc(c1)N1CCC(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1=O
Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1c(Cl)cccc1N1CC(CC1=O)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(nn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1c(cnn1-c1ccccc1C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CCN(C1=O)c1ccccc1
COc1ccccc1N1CCC(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1=O
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CN(C(=O)C1)c1ccccc1
CC(C)N1CC(CC1=O)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nn(c(C)c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)-c1ccccc1
Clc1ccccc1-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)c1c(nnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1c(nnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)c1ccc(CN(C(=O)c2cnoc2)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)cc1
Cc1nocc1C(=O)N(c1ccc(CO)cc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCc1c(nnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccn(n1)-c1ccccc1
Cn1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nn(cc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)-c1ccccc1
CCCc1cc(nn1C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1c[nH]c(n1)-c1ccccc1
CCCc1c(nnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1c(nnn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCn1cncc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)(C)n1cc(NC(=O)c2ccncc2)c(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(nn1C(C)(C)C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccnn1-c1ccccc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c(n1)-c1ccccn1
Cc1n[nH]nc1C(=O)N(c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1Cl
COc1ccc(C#N)c(c1)-n1cnc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ncn(n1)-c1ccccn1
CC1CC(N(NC(=O)c2cncs2)c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nc(c[nH]1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN(C)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1nc2CCCCc2s1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1onc2ccccc12
Cn1c(cc2ccccc12)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCOCC1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCC1
COc1cc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c(C)c1
FC(F)(F)Oc1cc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c(Br)c1
CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3c[nH]c(=O)c4ccccc34)c2c1
COc1cc2c(c[nH]c(=O)c2cc1OC)-c1ccc(CC(=O)N2Cc3ccccc3C2)cc1
Fc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1c[nH]c(=O)c2ccccc12
COc1ccc2CCN(C(=O)Nc3ccc(cc3)-c3c[nH]c(=O)c4cc(OC)c(OC)cc34)c2c1
CC(C)Oc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1cc(CC(=O)N2CCc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1n[nH]c(=O)c2ccccc12
Fc1cc(CC(=O)N2CCc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(CC(=O)N2Cc3ccccc3C2)cc1
Cc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1c[nH]c(=O)c2ccccc12
Cc1cc(CC(=O)N2CCc3ccccc23)ccc1-c1c[nH]c(=O)c2ccccc12
CC(C)(O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(NC(=O)N2CCc3ccccc23)cc1
COc1ccc2CN(Cc2c1)C(=O)Oc1ccc(cc1)-c1c[nH]c(=O)c2ccc(OC)cc12
COc1ccc2CCN(C(=O)Nc3ccc(cc3)-c3c[nH]c(=O)c4ccc(OC)cc34)c2c1
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(OC(=O)N2Cc3ccccc3C2)cc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCc3cccnc3)cc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCc3ccccn3)cc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCc3ccncc3)cc12
CC(C)Oc1ccc2N(CCc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(O[C@@H]3CCOC3)cc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(O[C@H]3CCOC3)cc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1noc2CCCCc12
CN1CC[C@H](C1)Oc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)no1
CN(C)CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1onc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1C
CN1CC[C@@H](C1)Oc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN1CCC(CC1)Oc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
COC(=O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCC3COC3)cc12
[O-][N+](=O)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCCN3CCCC3)cc12
Fc1cc(CC(=O)N2CCc3ccccc23)ccc1-c1c[nH]c(=O)c2ccccc12
CC(C)(O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3c[nH]c(=O)c4ccccc34)c2c1
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(CC(=O)N2CCc3ccc(OCC(C)(C)O)cc23)cc1
OC(=O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN(C)C(=O)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN1CCN(CC1)C(=O)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(cc12)C(=O)N1CCOCC1
OC1CCN(CC1)C(=O)c1ccc2N(CCc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
OC1CCN(CC1)C(=O)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCC(=O)N3CCOCC3)cc12
NC(=O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN1CCN(CC1)C(=O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN(C)c1ccc(cc1)C(=O)Nc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1cc(NC(=O)c2nn(CC(C)(C)O)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2cn(CC(C)(C)O)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CN(C)CCn1nc(C(=O)Nc2ccc(c(C)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CN(C)CCn1nc2ccccc2c1C(=O)Nc1ccc(c(C)c1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2n(CC3COC3)nc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2onc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2nn(CC3CCN(Cc4ccccc4)CC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2c[nH]c3ncc(F)cc23)ccc1-c1n[nH]c(=O)c2ccccc12
COc1cccc2cc([nH]c12)C(=O)Nc1ccc(c(C)c1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2cnn3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1nc2ccccn2c1C(=O)Nc1ccc(c(C)c1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2cnc3ccccn23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2nn(CC3CCOCC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2nn(CC3(C)COC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(c(Cl)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(C)OC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
Clc1cc(NC(=O)c2cnc3ccccn23)ccc1-c1n[nH]c(=O)c2ccccc12
Clc1cc(NC(=O)c2nn(CC3CCOCC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Clc1cc(NC(=O)c2nn(CC3CCOC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CC1(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)COC1
Cc1cc(NC(=O)c2nn(CC3CCN(CCCCO)CC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
OCCCCN1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(NC(=O)N2CCc3ccccc23)cc1C
Cc1cc(NC(=O)N2CCc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cccc(C(CONC(=O)c2cnn3ccccc23)N2CCCC2)c1-c1n[nH]c(=O)c2ccccc12 |(5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;-.17,-5.07,;-1.2,-6.21,;-2.71,-5.89,;-3.74,-7.04,;-5.25,-6.72,;-5.72,-5.25,;-6.28,-7.86,;-5.96,-9.37,;-7.29,-10.14,;-8.43,-9.11,;-9.97,-9.27,;-10.87,-8.02,;-10.25,-6.62,;-8.71,-6.46,;-7.81,-7.7,;-.65,-3.61,;-2.11,-3.13,;-2.11,-1.59,;-.65,-1.11,;.26,-2.36,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,)|
Cc1cc(NC(=O)c2nn(CC3CNC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Clc1cc(NC(=O)c2nn(CC3CNC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
OC(=O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
CN1CC(Cn2nc(C(=O)Nc3ccc(c(C)c3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
OC(=O)CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
COC(=O)CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)CNC(=O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OC1(CNC(=O)Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CCC1
CC(C)(O)CNC(=O)CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12)N1CCOCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CNC2)c2ccccc12
CC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
CN1CC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
COC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CCNCC2)c2ccccc12
CC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
COc1cc(NC(=O)c2nn(CC(C)(C)O)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CCOc1cc(NC(=O)c2nn(CC(C)(C)O)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CCOc1cc(NC(=O)c2nn(CC3CCOC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
COc1cc(NC(=O)c2nn(CC3CCOC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CC(C)OC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
FCCOC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
FC(F)(F)COC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
COc1cc(ccc1NC(=O)c1nn(CC2CCOC2)c2ccccc12)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(cc2O)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
Oc1cc(ccc1NC(=O)c1nn(CC2CCOC2)c2ccccc12)-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2nn(CC3CCOC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CN1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
COc1cc(ccc1NC(=O)c1nn(CC(C)(C)O)c2ccccc12)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(cc2F)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OCCn1nc(C(=O)Nc2ccc(c(CO)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(c(CO)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OCc1cc(NC(=O)c2nn(CCC3CCOCC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2cnn3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cn1nc(C(=O)Nc2ccc(c(CO)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)n1nc(C(=O)Nc2ccc(c(CO)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OCc1cc(NC(=O)c2cnc3ccccn23)ccc1-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2nn(CC3CCOC3)c3ccc(F)cc23)ccc1-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2nn(CC3CCCO3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2nn(CC3CCOC3)c3cc(F)ccc23)ccc1-c1n[nH]c(=O)c2ccccc12
COc1ccc2c(n[nH]c(=O)c2c1)-c1ccc(NC(=O)c2nn(CC(C)(C)O)c3ccccc23)cc1
COc1ccc2c(n[nH]c(=O)c2c1)-c1ccc(NC(=O)c2cn3ccccc3n2)cc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CC2(CCNCC2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn(nn1)C1CCNCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(CC2CC2)c1
FC(F)(F)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
OC(Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C(F)(F)F
COCC(O)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
OC(Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)(C(F)(F)F)C(F)(F)F
CC(C)(C)n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCCn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)C(F)(F)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCOCC1
FC(F)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(O)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Clc1ccc(cc1)-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1COC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCOC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn[nH]c1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1C2CCC1CC2
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)[C@H]1C[C@@H]2CC[C@H]1C2 |THB:23:25:28.29:31|
Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(c(C)c1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2cc(n(C)n2)C(C)(C)C)ccc1-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCS(=O)(=O)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCNC1
FC(F)(F)CCn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(CCCN2CCCC2)c1
COc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1C
COc1ccc(cc1)-n1nnc(C)c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc(cc1OC(F)F)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccccc1-n1nnc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1C
COc1ccccc1-n1cc(nn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc(cc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CC1
Cn1nc(cc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C(F)(F)F
FC(F)(F)Cn1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)n1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)Cn1nccc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)Cn1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(c1ccc2c(c1)CN(c1nccc(Nc3ccc4c(=O)[nH]ccc4c3)n1)C2)N1CC(F)(F)C1
O=C1NCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)C4CC(F)(F)C4)C5)ncc3F)ccc21
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]cc(Cl)c5c4)n3)cc2C1
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]cnc5c4)n3)cc2C1
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C(c1cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2[nH]1)N1CC(F)(F)C1
O=C(OC1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)OC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ncc5c4)n3)cc2C1
O=C(C1CCC(F)(F)CC1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C1NCCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)OC4CC(F)(F)C4)C5)ncc3F)ccc21
O=C(C1CC(F)(F)C1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21
O=C(OC1CC(F)(F)C1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21
CC(C)(C)OC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21
CC(OC(=O)N5Cc4ccc(c3ncc(F)c(Nc2ccc1c(=O)[nH]ccc1c2)n3)cc4C5)C(F)(F)F
O=C(OC1CCOC1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
COCn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc21
COCn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc21
COCn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3ncnc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc21
O=C(OC1CC(F)(F)C1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
CC(C)(C)OC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
O=C(OC1CC(F)(F)C1)N1CCc2cc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
O=C(OC1CCC1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
O=C(OC1CC(F)(F)C1)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C1NCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)OC4CC(F)(F)C4)C5)ncc3F)ccc21
O=C(OC1CCC(F)(F)CC1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
CC(CC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc5c(N)nccc5c4)n3)cc21
CC(OC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1)C(F)(F)F
CC(OC(=O)N1CCc2cc(-c3nccc(Nc4ccc5c(c4)CCNC5=O)n3)ccc2C1)C(F)(F)F
O=C1NCCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)N4CCC(F)(F)CC4)C5)ncc3F)ccc21
CC(C)(C)OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1
CC(OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
O=C(N1CCc2cc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1)N1CC(F)(F)C1
CC(C)(C)OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(N)nccc5c4)n3)cc2C1
CC(OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
CC(CC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
CC(CC(=O)N1Cc2ccc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
CC(CC(=O)N1CCc2sc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
CC(CC(=O)N1Cc2ccc(-c3nc(Nc4ccc5c(=O)[nH]ccc5c4)c4ccccc4n3)cc2C1)C(F)(F)F
CC(C)(C)CC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)CC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)CC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(CC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
CC(C)(C)CC(=O)N1Cc2ccc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)CC(=O)N1CCc2sc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(CC(=O)N1CCc2sc(-c3nccc(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
CC(OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ncc5c4)n3)cc2C1)C(F)(F)F
O=C1NCCc2cc(Nc3nc(-c4cc5c(s4)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)C5)ncc3F)ccc21
O=C(N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
O=C(CCC(F)(F)F)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C1NCCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)CCC(F)(F)F)C5)ncc3F)ccc21
C[C@@H](OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
CC(OC(=O)N5Cc4ccc(c3ncc(F)c(Nc2ccc1C(=O)NCCc1c2)n3)cc4C5)C(F)(F)F
CC(OC(=O)N5Cc4ccc(c3ncc(F)c(Nc2ccc1C(=O)NCCc1c2)n3)cc4C5)C(F)(F)F
O=C(CCC(F)(F)F)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C1NCCc2cc(Nc3nc(-c4cc5c(s4)CCN(C(=O)CCC(F)(F)F)C5)ncc3F)ccc21
O=C(CCC(F)(F)F)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21
CC(CC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21)C(F)(F)F
O=C(OCC(F)(F)F)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(OC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21)C(F)(F)F
CC(CC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)ccc21)C(F)(F)F
O=C1NCCc2cc(Nc3nc(-c4cc5c(s4)CCN(C(=O)OCC(F)(F)F)C5)ncc3F)ccc21
CC(C)(C)OC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1
CN(CC(F)(F)F)C(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1
O=C(N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)N1CC(F)(F)C1
O=C1NCCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)N4CC(F)(F)C4)C5)ncc3F)ccc21
CC(C)(CC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
OC[C@@H](NC(=O)c1cc([nH]n1)-c1ccncc1)c1cccc(F)c1 |r|
COc1cccc(CNC(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(CN(C)C(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(CN(CCO)C(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(CN(CCN(C)C)C(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(CNC(=O)Nc2cnn(c2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3s2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)Nc2cc([nH]n2)-c2ccncc2)c1F
COc1ccc(F)c(CNC(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(c1)[C@@H](C)NC(=O)Nc1cc(n[nH]1)-c1ccncc1 |r|
Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12
CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2cnccc2c1
COc1cccc(CN(CCO)C(=O)Nc2ccc3cnccc3c2)c1
OC[C@H](NC(=O)Nc1ccc2cnccc2c1)c1ccccc1 |r|
OC[C@H](NC(=O)Nc1cccc2cnccc12)c1ccccc1 |r|
CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc2cnccc12
CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc2cnccc12
CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc2cnccc12
NCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2cnccc2c1
Clc1ccc(CN(C2CCNCC2)C(=O)Nc2cccc3cnccc23)cc1
COC(=O)c1ccc(CN(CCN(C)C)C(=O)Nc2cccc3cnccc23)cc1
CN(C)CCN(Cc1ccc(F)cc1)C(=S)Nc1cccc2cnccc12
CN(C)CCN(Cc1ccc(CO)cc1)C(=S)Nc1cccc2cnccc12
NCCN(Cc1ccc(O)cc1)C(=O)Nc1ccc2cnccc2c1
NCCN(Cc1ccccc1)C(=O)Nc1ccc2cnccc2c1
NCCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc2cnccc2c1
NCCN(Cc1cccc(F)c1)C(=O)Nc1ccc2cnccc2c1
CSc1ccc(CN(CCN)C(=O)Nc2ccc3cnccc3c2)cc1
COC(=O)c1ccc(CN(CCN)C(=O)Nc2ccc3cnccc3c2)cc1
NCCN(Cc1ccc(F)cc1)C(=S)Nc1ccc2cnccc2c1
NCCN(Cc1ccc(F)cc1)C(=O)Nc1cccc2cnccc12
CC(N(CCN)C(=O)Nc1ccc2cnccc2c1)c1ccc(F)cc1
NCC(NC(=S)Nc1ccc2cnccc2c1)c1ccccc1
NCC(NC(=O)Nc1ccc2cnccc2c1)c1ccc(F)cc1
NCC(NC(=S)Nc1ccc2cnccc2c1)c1ccc(F)cc1
NCCN(Cc1ccccc1)C(=S)Nc1ccc2cnccc2c1
NCCN(Cc1cccc(F)c1)C(=S)Nc1ccc2cnccc2c1
NCCN(Cc1cccc(F)c1)C(\Nc1ccc2cnccc2c1)=N/C#N
NCCN(Cc1ccc(F)cc1)C(\Nc1ccc2cnccc2c1)=N/C#N
NCCN(Cc1ccc(Cl)cc1)C(=S)Nc1ccc2cnccc2c1
Cc1ccc(CN(CCN)C(=S)Nc2ccc3cnccc3c2)cc1
NCCN(Cc1ccc(Cl)c(F)c1)C(=S)Nc1ccc2cnccc2c1
NCCN(Cc1ccc(Br)cc1)C(\Nc1ccc2cnccc2c1)=N\C#N
COc1cccc(c1)C(CN)NC(=S)Nc1ccc2cnccc2c1
NCCN(Cc1ccccc1)C(\Nc1ccc2cnccc2c1)=N/C#N
COc1ccc(CN(CCN)C(\Nc2ccc3cnccc3c2)=N/C#N)cc1
NCCN(Cc1cccc(Cl)c1)C(=S)Nc1ccc2cnccc2c1
NCC(NC(=S)Nc1ccc2cnccc2c1)c1cccc2ccccc12
CC(C)C1CCC(CC1)C(=O)Nc1ccncc1 |(1.33,-2.31,;2.67,-3.08,;4,-2.31,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-9.24,;1.33,-10.01,;4,-10.01,;4,-11.55,;5.33,-12.32,;5.33,-13.86,;4,-14.63,;2.67,-13.86,;2.67,-12.32,)|
CN1CCn2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(c3)C(CO)NC(=O)c3ccc(cc3)-c3ccncc3)cc2C1
O=C(COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1)NC1CC1
CN(C)CCNC(=O)COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
CC(C)NC(=O)c1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCCCC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCC(F)(F)CC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCCC1 |r|
Cn1ccc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3ccc(cc3)-c3ccncc3)cc2c1=O |r|
CN(C)c1ccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cc1 |r|
CN(C)c1cccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)c1 |r|
CN(C)Cc1ccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cc1 |r|
CCN(CC)C1CCC(CC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r,wD:20.24,(11.34,5.01,;10,4.24,;10,2.7,;11.34,1.93,;12.67,2.7,;8.67,1.93,;8.67,.39,;7.34,-.38,;6,.39,;6,1.93,;7.34,2.7,;4.67,-.38,;3.33,.39,;3.33,1.93,;2,-.38,;2,-1.92,;.67,-2.69,;-.67,-1.92,;-.67,-.38,;.67,.39,;-2,.39,;-2,1.93,;-.67,2.7,;-3.33,-.38,;-4.67,.39,;-4.67,1.93,;-6,-.38,;-7.34,.39,;-8.67,-.38,;-8.67,-1.92,;-7.34,-2.69,;-6,-1.92,;-10,-2.69,;-11.34,-1.92,;-12.67,-2.69,;-12.67,-4.23,;-11.34,-5.01,;-10,-4.23,)|
OC[C@@H](NC(=O)c1cccc(c1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
Cc1ccc(cc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1ccncc1 |r|
CCc1ccc(cc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1ccncc1 |r|
C[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CC1 |r|
COC(=O)N1CCC(CC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COC(=O)N1CCC(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCN(CC(F)(F)F)CC1 |r|
COc1ccc(NC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cn1 |r|
COc1cc(ccc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1cn[nH]c1 |r|
CN(C)Cc1cccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2cn[nH]c2)c1 |r|
CCOc1cc(ccc1C(=O)N[C@H](C)c1cccc(c1)C(=O)NC1CCCC1)-c1cn[nH]c1 |r|
COCCOc1cc(ccc1C(=O)N[C@H](C)c1cccc(c1)C(=O)NC1CCCC1)-c1cn[nH]c1 |r|
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1
OCC(NC(=O)c1cc([nH]n1)-c1ccncc1)c1cccc(F)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3s2)-c2ccncc2)c1
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:13,t:9|
C[C@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r|
C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r,@:3|
C[C@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r,@@:3|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc21
Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5cnn[nH]5)cc4)n3)cc21
CN(C)C(=O)Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc21
CN(C)CCn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5ccn[nH]5)cc4)n3)cc21
CN(C)CCn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]n5)cc4)n3)cc21
Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5c[nH]nn5)cc4)n3)cc21
O=C(c1cc2ccc(-c3nccc(Nc4ccc(-c5ccn[nH]5)cc4)n3)cc2n1CC1COC1)N1CC(F)(F)C1
Cn1c(C(=O)N2CCC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc21
C[C@H](NC(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc2n1CCN(C)C)C(F)(F)F
C[C@H](NC(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc2n1C)C(F)(F)F
C[C@H](NC(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc2n1CC1COC1)C(F)(F)F
O=C(c1cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc2n1CC1COC1)N1CCC(F)(F)C1
Cn1c(C(=O)N2CCCC2)cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc21
Cn1c(C(=O)N2CCCC2)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]n5)cc4)n3)cc21
Cn1c(C(=O)N2CCC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]n5)cc4)n3)cc21
CN(C)CCn1c(C(=O)N2CCC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]n5)cc4)n3)cc21
CN(C)CCn1c(C(=O)N2CCC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc(-c5cnc[nH]5)cc4)n3)cc21
O=C(c1cc2ccc(-c3nccc(Nc4ccc(-c5ccn[nH]5)cc4)n3)cc2o1)N1CC(F)(F)C1
O=C(c1cc2c(s1)CN(c1nccc(Nc3ccc(-c4cnn[nH]4)cc3)n1)CC2)N1CC2C(C1)C2(F)F
O=C(c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]n5)cc4)n3)cc2o1)N1CC(F)(F)C1
O=C(c1cc2c(s1)CN(c1nccc(Nc3ccc(-c4cnc[nH]4)cc3)n1)CC2)N1CC2C(C1)C2(F)F
O=C(c1cc2ccc(-c3nccc(Nc4ccc(-c5ccn[nH]5)cc4)n3)cc2s1)N1CC(F)(F)C1
O=C(c1nc2ccc(-c3nccc(Nc4ccc(-c5ccn[nH]5)cc4)n3)cc2[nH]1)N1CC(F)(F)C1
O=C(c1nc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]n5)cc4)n3)cc2[nH]1)N1CC(F)(F)C1
O=C(c1cc2c(s1)CN(c1nccc(Nc3ccc(-c4cnc[nH]4)cc3)n1)CC2)N1CCC(F)(F)C1
COc1cccc(c1)C(CCO)NC(=O)c1ccnc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CCO)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CCO)NC(=O)c1cncc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CCO)NC(=O)c1cc(ccn1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
OCCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(F)c1
COc1cccc(c1)C(CCN)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CCN(C)C)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CN(C)C)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1ccc(F)c(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1cc(F)cc(c1)-c1ccc2[nH]ncc2c1
OCCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(Cl)c1
COc1cccc(c1)C(CN1CCCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1cc(ccc1F)-c1ccc2[nH]ncc2c1
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cc(F)ccc1F
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(F)c1F
OCCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1ccccc1F
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(F)c1
NCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(F)c1
Fc1cccc(c1)C(CN1CCCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CO)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CO)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(N)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(N)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COCCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(OC)c1
COc1cccc(c1)C(CN1CCNCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(cc2cccnc12)-c1ccc2[nH]nc(C)c2c1
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CN)c1cccc(C)c1
COc1cccc(c1)C(CN(C)C)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN1CCCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CNC(C)C)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(CN2CCCC2)cc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(C)c2c1
NCC(NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(F)c2c1)c1cccc(F)c1
COc1cccc(c1)C1(CCNC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C1(CCNC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C1(CCNC1)NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccc1OC(F)F)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccc1OC(F)(F)F)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccc1OC)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccc1OC)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(OC)cc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN1CCNCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN1CCNCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(cc(c1)-c1ccc2[nH]nc(C)c2c1)C#N
COc1cccc(c1)C(CN)NC(=O)c1cc(CN2CCCC2)cc(c1)-c1ccc2[nH]nc(F)c2c1
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CO)c1cccc(F)c1
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1)c1cccc(F)c1
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CN)c1cccc(F)c1F
NCC(NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1)c1cccc(F)c1F
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CN)c1cccc(OC2CC2)c1
CNCC(NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1)c1cccc(OC)c1
CNCC(NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(C)c2c1)c1cccc(OC)c1
Cc1n[nH]c2ccc(cc12)-c1ccnc(c1)C(=O)NC(CN)c1cccc(C)c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C3CC3)c2c1
COc1cccc(c1)C(CNS(C)(=O)=O)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
CC(C)NC(=O)C1COc2ccc(cc2O1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CNC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN(C)C(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CC1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCOC1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccn(CCN(C)C)c2n1
Cn1cc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc3[nH]ncc3c2)c2occc2n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2scnc2n1
O=C(NC1CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cnoc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cnccn1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccncn1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)cc2nccn12
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1ncnc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CC(CO)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccc(cc1)-c1cn[nH]c1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1nnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1cnncc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccc2[nH]ncc2c1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2cc(ccc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1c[nH]c2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cn[nH]c1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)(C)OC(=O)n1cc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)C(=O)Nc1ccnnc1
Fc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
CN1CCN(CC(=O)n2ccc3ccc(cc23)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)CC1
Cc1nc(nc(Nc2ccc3[nH]ncc3c2)c1C)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
O=C(Nc1ccnnc1)c1ccc2ccc(cc2n1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1nncs1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
Cc1cc(Nc2ccc3[nH]ncc3c2)nc(n1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
Cc1c(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)C(=O)Nc2ccnnc2)ccc2[nH]ncc12
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C)c1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)C1Cc2ccc(cc2N1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN(C)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CNC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(Nc1ccccn1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
CN1CCC(CC1)n1cc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
CN1CCC(CC1)N1CCCC(C1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CCN(CC)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(NC1CCOC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(NC1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C(CO)CO)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C1CCNC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)c1ccnnc1
Clc1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC(F)(F)F)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC2(CCNCC2)CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CC2CNCC2C1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(N1CC2(CNC2)C1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
Clc1cnccc1NC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1cnccc1NC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CNC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
CN(C1CCOCC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(NC1CCCN(C1)C1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN(C1CCOC1)C(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccncc1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Fc1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cccnc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CC(C1)C#N)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(Oc1ccccc1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(N1CCC2(CCNCC2)CC1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CNC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CCNC(=O)c1cc2cc(ccc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CCNC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CCN(CCO)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C1CC(O)C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |(8.01,1.26,;8.01,-.28,;9.34,-1.05,;9.74,-2.54,;11.23,-2.14,;12.56,-2.91,;10.83,-.65,;6.67,-1.05,;6.67,-2.59,;5.34,-.28,;5.18,1.25,;3.67,1.57,;2.9,2.91,;1.36,2.91,;.59,1.57,;1.36,.24,;2.9,.24,;3.93,-.9,;-.95,1.57,;-1.72,2.91,;-3.26,2.91,;-4.03,1.57,;-3.26,.24,;-4.03,-1.09,;-5.57,-1.09,;-6.34,-2.43,;-7.88,-2.43,;-8.65,-1.09,;-7.88,.24,;-6.34,.24,;-10.19,-1.09,;-11.09,-2.34,;-12.56,-1.86,;-12.56,-.32,;-11.09,.15,;-1.72,.24,)|
CN(C1CCOC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C1CCC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)c1ccncc1
O=C(NC1CCOC1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
O=C(NC1CCC1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
O=C(N1CCC2(CCNCC2)CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC(F)(F)F)C(=O)c1cc2ccc(cc2[nH]1)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC(F)(F)F)C(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC(F)(F)F)C(=O)c1cc2cc(ccc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC#N)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC1COCCN1C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)(F)C1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)C1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
OC1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
OC1CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
CC1(F)CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CCC#N)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)(F)C1CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC(CC1)C#N)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC(C1)C#N)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
FC1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)(F)CNC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(NC(=O)c1cc2ccc(cc2n1C)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(F)(F)F
CC1(CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C#N
O=C(N1CCCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC2(CCN2)CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CS(=O)(=O)C1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CN(C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
FC1CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
F[C@H]1CN(C[C@H]1F)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
FC1(F)CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC11CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1CC(C1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1 |(12.56,-3.48,;11.23,-2.71,;9.74,-3.11,;9.34,-1.62,;10.83,-1.22,;8.01,-.85,;6.67,-1.62,;6.67,-3.16,;5.34,-.85,;5.18,.68,;3.67,1,;2.9,2.34,;1.36,2.34,;.59,1,;1.36,-.33,;2.9,-.33,;3.93,-1.48,;-.95,1,;-1.72,-.33,;-3.26,-.33,;-4.03,-1.67,;-5.57,-1.67,;-6.34,-.33,;-7.88,-.33,;-8.65,-1.67,;-7.88,-3,;-6.34,-3,;-10.19,-1.67,;-11.09,-2.91,;-12.56,-2.44,;-12.56,-.9,;-11.09,-.42,;-4.03,1,;-5.54,1.32,;-5.7,2.85,;-4.29,3.48,;-3.26,2.34,;-1.72,2.34,)|
FC1(F)C2CN(CC12)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCS(=O)(=O)CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
ON=C1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |(12.56,.65,;11.23,1.42,;9.89,.65,;9.49,-.84,;8.01,-.44,;8.4,1.05,;6.67,-1.21,;6.67,-2.75,;5.34,-.44,;5.18,1.09,;3.67,1.41,;2.9,2.75,;1.36,2.75,;.59,1.41,;1.36,.08,;2.9,.08,;3.93,-1.06,;-.95,1.41,;-1.72,2.75,;-3.26,2.75,;-4.03,1.41,;-3.26,.08,;-4.03,-1.25,;-5.57,-1.25,;-6.34,.08,;-7.88,.08,;-8.65,-1.25,;-7.88,-2.59,;-6.34,-2.59,;-10.19,-1.25,;-11.09,-2.5,;-12.56,-2.02,;-12.56,-.48,;-11.09,-.01,;-1.72,.08,)|
O=C(N1CC(C1)C#N)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CCC(O)(C1)C(F)(F)F
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CCC(C1)C(F)(F)F
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CCC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC2C(C1)C2(F)F
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CCC2(CC2(F)F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1C[C@H](F)[C@H](F)C1 |r|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(C1)=CC#N |(4.2,-3.43,;4.6,-1.94,;6.01,-1.31,;5.84,.22,;4.34,.54,;3.57,1.87,;2.03,1.87,;1.26,.54,;2.03,-.8,;3.57,-.8,;-.28,.54,;-1.05,1.87,;-2.59,1.87,;-3.36,.54,;-2.59,-.8,;-3.36,-2.13,;-4.9,-2.13,;-5.67,-.8,;-7.21,-.8,;-7.98,-2.13,;-7.21,-3.46,;-5.67,-3.46,;-9.52,-2.13,;-10.43,-3.38,;-11.89,-2.9,;-11.89,-1.36,;-10.43,-.88,;-1.05,-.8,;7.34,-2.08,;7.34,-3.62,;8.67,-1.31,;10.16,-1.71,;10.56,-.23,;9.07,.17,;11.89,.54,;11.89,2.08,;11.89,3.62,)|
CC(=O)C1CN(C1)C(=O)c1cc2ccc(cc2n1C)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1C[C@@H](O)[C@H](F)C1 |r|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1C[C@@H](F)[C@H](Br)C1 |r|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1C[C@@H](O)[C@@H](F)C1 |r|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(O)(C1)C(F)(F)F
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(CF)C1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
Cn1c(cc2ccc(cc12)-c1ncnc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
O=C(Oc1ccccc1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1ncnc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(C1)C(F)(F)F
O=C(C1CC2(C1)CCNCC2)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
COc1cc(ccc1Nc1ccnc(n1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1)-c1cn[nH]c1
O=C(OC1CCNC1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN1CCC(C1)OC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)N1CCN(CC1)C1COC1
CC(C)(C)OC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(C1CCOCC1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
OC1CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |(8.95,-4.61,;8.95,-3.07,;7.86,-1.98,;8.95,-.89,;10.04,-1.98,;8.95,.65,;10.28,1.42,;7.61,1.42,;7.45,2.95,;5.95,3.27,;5.18,4.61,;3.64,4.61,;2.87,3.27,;3.64,1.94,;5.18,1.94,;6.21,.79,;1.33,3.27,;.56,4.61,;-.98,4.61,;-1.75,3.27,;-.98,1.94,;-1.75,.61,;-3.29,.61,;-4.06,-.73,;-5.6,-.73,;-6.37,.61,;-5.6,1.94,;-4.06,1.94,;-7.91,.61,;-8.82,-.64,;-10.28,-.16,;-10.28,1.38,;-8.82,1.85,;.56,1.94,)|
FC1(F)CC(C1)OC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2[nH]ccc2n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2cc[nH]c2n1
NC(=O)c1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
OC(=O)c1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
CC1(CC(F)(F)C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1CCc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
FC1(F)CC(C1)OC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1ncnc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc([nH]c2c1)C(=O)N1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
Cc1[nH]ncc1-c1ccc(Nc2nc(ncc2F)-c2ccc3CN(Cc3c2)C(=O)C2CC(F)(F)C2)cc1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)C1CCOCC1
CC(=O)N1Cc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
Fc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(CC3CC(F)(F)C3)C(=O)c2c1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(CCc2c1)C(=O)C1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(CC1CCOC1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Fc1cc(ccc1Nc1nc(ncc1F)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1)-c1cn[nH]c1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)OC1CC(F)(F)C1
Fc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2CN(Cc2c1)C(=O)OC1CC(F)(F)C1
COCn1c(cc2ccc(cc12)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2N(CCc2c1)C(=O)C1CC(F)(F)C1
FC1(F)CC(C1)OC(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC1(CC(F)(F)C1)C(=O)N1Cc2ccc(cc2C1)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1
COCn1c(cc2ccc(cc12)-c1nc2CNCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
O=C(OC1CC2(CNC2)C1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC1(CC(F)(F)C1)C(=O)N1CCc2ccc(cc2C1)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CCC(CC1)OC(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CCN(Cc2c1)C(=O)C1CCC(F)(F)CC1
COCc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(sc2c1)C(=O)N1CC(F)(F)C1
CC1(CC(F)(F)C1)C(=O)N1CCc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1ncc(c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(F)(F)F)C(=O)N1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
COCn1c(cc2ccc(cc12)-c1ncnc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
COc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
N(c1ccc2[nH]ncc2c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1nc2ccccc2o1
CCN(CC)C(=O)c1cc2ccc(cc2[nH]1)-c1ncc(OC)c(Nc2ccc(cc2)-c2cn[nH]c2)n1
N(c1ccc(cc1)-c1cn[nH]c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1nccs1
O=C(Nc1ccncc1C#N)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Ic1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
COc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)C(=O)N(C)C)ccc1-c1cn[nH]c1
O=C(NC1CCCN(C1)c1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)C(=O)Nc1ccncc1Cl
CN(C)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(-c3cn[nH]c3)c(F)c2)n1
Fc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)C(=O)N2CC(F)(F)C2)ccc1-c1cn[nH]c1
Clc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
Clc1cnccc1N1CCC(CC1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2OCCOc2n1)C(=O)N1CC(F)(F)C1
OC[C@H]1CN(CCO1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
OC[C@@H]1COCCN1C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
C[C@H](CN)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
C[C@@H](CN)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
CC(C)NC(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccccc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1
COc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc([nH]c2c1)C(=O)N(C)CC(F)(F)F
N(c1ccc(cc1)-c1cn[nH]c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1ncccn1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)-n1ccnc1
N(c1ccc2[nH]ncc2c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1nc2ccccc2s1
O=C(NC1CCCN(C1)c1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Clc1cnccc1N1CCC(CC1)NC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Cc2ccccc2)cc(Nc2ccc3[nH]ncc3c2)n1
CCn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(-c3cn[nH]c3)c(F)c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)C(=O)N1CC(F)(F)C1
Fc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)-c2nccs2)ccc1-c1cn[nH]c1
COc1cc(Nc2ccnc(n2)-c2ccc3cc(C(=O)N4CC(F)(F)C4)n(C)c3c2)ccc1-c1cn[nH]c1
COc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)-c2nccs2)ccc1-c1cn[nH]c1
COc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccccc2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)-c1nccs1
COCn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
COCCn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2n1C=C)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(nc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cn2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
N(c1ccc(nc1)-c1cn[nH]c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1nccs1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2O)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1ccc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c12)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccsc2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2cccn2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1ncc(Cl)c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
FC1(F)CC(C1)NC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nc2CNCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
CN1Cc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
Cc1[nH]ncc1-c1ccc(Nc2ccnc(n2)-c2ccc3cc(C(=O)N4CC(F)(F)C4)n(C)c3c2)cc1
FC1(F)CN(C1)C(=O)N1CCc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1CCc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CN(C1)C(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nc2CCCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
CN1Cc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
O=C(N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)c1cccnc1
O=C(N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)c1ccncc1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN1CCC[C@H]1C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
CN1CCc2nc(sc2C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cn2)-c2cn[nH]c2)n1
CC(O)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1cncc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc2CNCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1
COc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)ccc12 |r|
FC(F)(F)Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnc3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cnccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnc3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3cc(cs3)C(=O)NCc3ncccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Fc1c(NC(=O)[C@@H]2CC2c2ccc(cc2)S(=O)(=O)Nc2cccnc2)ccc2cnccc12 |r|
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1 |r|
Fc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Fc1c(NC(=O)[C@@H]2CC2c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc2cnccc12 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1cccnc1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3cncc(n3)C3=CCNCC3)cc12 |r,t:34|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC1CCNCC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCNC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)N1CCNCC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCNC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NCC1CCNCC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NCc1cccnc1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccc1 |r|
Fc1cnc(NS(=O)(=O)c2ccc(cc2)C2C[C@H]2C(=O)Nc2ccc3cncc(C#N)c3c2)nc1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)NC3CCNC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3cncc(n3)C3CCNCC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)NC3CCCNC3)cc12 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
NC(=N)NS(=O)(=O)c1ccc(cc1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnn3)cc12 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)C(=O)Nc1cccnn1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1cccnn1 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Fc1cc(ccc1S(=O)(=O)Nc1ccccn1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1 |r|
Fc1ccc(c(c1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1)S(=O)(=O)Nc1ccccn1 |r|
O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
CCCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
NCc1ccnc(NS(=O)(=O)c2ccc(cc2)C2CC2C(=O)Nc2ccc3cncc(Cl)c3c2)c1
O=C(Nc1ccc2cncc(C3CC3)c2c1)[C@@H]1C[C@H]1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
Fc1ccc(NS(=O)(=O)c2ccc(cc2)[C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)cncc3s2)nc1 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |r|
Clc1cncc2ccc(NC(=O)CCc3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12
Cc1cncc2ccc(NC(=O)CCc3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
FC1(F)CNCCC1NS(=O)(=O)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)Nc1ccc2cncc(Cl)c2c1 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NCC3CCCCN3)cc12 |r|
Cc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)ccc12 |r|
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cncc(CC#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |r|
FC(F)(F)Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
FC(F)(F)Oc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(c3)C(=O)NCc3ncccn3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCNC1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncc(F)cn3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccc(F)cn3)cc12 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4nc[nH]n4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cc[nH]n4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccncn4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ncc[nH]4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccnnc4)c23)NC1
CN1CCCC[C@@]11CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r|
C1C[C@]2(CN1c1ccnc3[nH]cc(-c4ncc[nH]4)c13)CCCCN2 |r|
CCN1CCCCC11CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12
C1CC[C@@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccccn4)c23)NC1 |r|
CCN1CCCC[C@@]11CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccsn4)c23)NC1
Cc1cnc([nH]1)-c1c[nH]c2nccc(N3CCC[C@@]4(CCCCN4)C3)c12 |r|
C1C[C@]2(CN1c1ccnc3[nH]cc(-c4cncnc4)c13)CCCCN2 |r|
Cc1cnc([nH]1)-c1c[nH]c2nccc(N3CC[C@]4(C3)CCCCN4)c12 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4nccs4)c23)NC1
CCN1CCCCC11CCCN(C1)c1ccnc2[nH]cc(-c3ncc(C)[nH]3)c12
Nc1cncc(c1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
C1C[C@]2(CN1c1ccnc3[nH]cc(-c4ccncn4)c13)CCCCN2 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccccn4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cn[nH]c4)c23)NC1
C1CC2(CN1c1ccnc3[nH]cc(-c4ncc[nH]4)c13)CCCCN2
CNC1CCCN(C1)c1ccnc2[nH]cc(-c3ncc(C)[nH]3)c12
CC1(N)CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12
Cc1cnc(s1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
Oc1ccc(nc1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
Nc1cccnc1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
C1CNC2(C1)CCN(C2)c1ccnc2[nH]cc(-c3cc[nH]n3)c12
C1CNC[C@@H](C1)Oc1ccnc2[nH]cc(-c3ccncn3)c12 |r|
Cc1cnc(s1)-c1c[nH]c2nccc(N3CCC4(C3)CCCCN4)c12
CN[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r|
N#Cc1c[nH]c2nccc(N3CCC[C@@]4(CCCCN4)C3)c12 |r|
CC1(N)CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
N[C@]1(CCCNC1)Nc1ccnc2[nH]cc(-c3ncc[nH]3)c12 |r|
N[C@@]1(CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12)NC1CC1 |r|
Cc1c[nH]nc1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
C1CC2(CN1c1ccnc3[nH]cc(-c4nc[nH]n4)c13)CCCCN2
C1CC2(CN1c1ccnc3[nH]cc(-c4ccnnc4)c13)CCCCN2
N[C@@]1(CCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12)NC1CC1 |r|
N#Cc1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnsc3)c12 |r|
C1CN[C@@]2(C1)CCN(C2)c1ccnc2[nH]cc(-c3ncc[nH]3)c12 |r|
CN[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12 |r|
NC1CN(CCC1F)c1ccnc2[nH]cc(-c3ccncn3)c12
CCN1CCCCC11CCCN(C1)c1ccnc2[nH]cc(C#N)c12
Cc1csc(n1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
C1CNC2(C1)CCN(C2)c1ccnc2[nH]cc(-c3nccs3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccccn3)c12 |r|
C1CC2(CN1c1ccnc3[nH]cc(-c4ccccn4)c13)CCCCN2
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cncnc4)c23)NC1
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncc(F)c3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12 |r|
Cc1ncc(cn1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
CCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12 |r|
Cc1cnc(s1)-c1c[nH]c2nccc(N3CCCC4(CCCN4)C3)c12
Nc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccsn4)c23)NC1 |r|
Cc1cnc(s1)-c1c[nH]c2nccc(N3CCC4(CCCN4)C3)c12
C1CNC2(C1)CCN(C2)c1ccnc2[nH]cc(-c3ccnnc3)c12
C1CN[C@@]2(C1)CCN(C2)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CNCC2(C1)CCN(CC2)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CC2(CN1)CCN(CC2)c1ccnc2[nH]cc(-c3cncnc3)c12
Cc1nc(cs1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
NCC1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
NCCC1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ncccn4)c23)NC1
N[C@@]1(CNc2ccnc3[nH]cc(-c4cncnc4)c23)CCCNC1 |r|
C(Oc1ccnc2[nH]cc(-c3cncnc3)c12)C1CCCNC1
CNC1CCCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
Nc1cc(ccn1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CC2(CCN(C2)c2ccnc3[nH]cc(-c4ccnnc4)c23)CN1
N[C@]1(CNc2ccnc3[nH]cc(-c4cncnc4)c23)CCCNC1 |r|
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccnnc4)c23)NC1 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cccnc3)c12 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cnccn4)c23)NC1
C[C@@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccncn4)c23)NC1 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cccnn4)c23)NC1
Cn1cc(cn1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
NC1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1NCC11CCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ncccc3F)c12 |r|
C1CNCCC(C1)Oc1ccnc2[nH]cc(-c3cncnc3)c12
NCC1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cc[nH]n3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cccnn3)c12 |r|
N#Cc1c[nH]c2nccc(N3CCC4(CCCN4)C3)c12
CNC1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CC2(CN1c1ccnc3[nH]cc(-c4cncnc4)c13)CCNCC2
OCCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CC2(CN1)CCCN(C2)c1ccnc2[nH]cc(-c3ccnnc3)c12
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4nc[nH]n4)c23)NC1 |r|
C1CNCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12
N[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CNCC2(C1)CCCN(C2)c1ccnc2[nH]cc(-c3cncnc3)c12
Cc1nccc(n1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
C1CC1N[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cccnn3)c12 |r|
C1CNC2(C1)CCN(C2)c1ccnc2[nH]cc(-c3ccccn3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnccn3)c12 |r|
CNc1cc(ccn1)-c1c[nH]c2nccc(N3CCCCC3)c12
CN1CN[C@@H]2CN(CC[C@H]12)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4nccs4)c23)NC1 |r|
C1CNC2(C1)CCCN(C2)c1ccnc2[nH]cc(-c3cncnc3)c12
CN1CCC[C@@](N)(COc2ccnc3[nH]cc(-c4cncnc4)c23)C1 |r|
C1CC1N[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cn[nH]c3)c12 |r|
N[C@H]1CCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C(Oc1ccnc2[nH]cc(-c3cncnc3)c12)[C@@H]1CCNC1 |r|
C1CCN(C1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C(Oc1ccnc2[nH]cc(-c3cncnc3)c12)[C@H]1CCNC1 |r|
COC[C@@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
C1CN(C1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CNC[C@@H](C1)Oc1ccnc2[nH]cc(-c3cncnc3)c12 |r|
Cc1cnc(s1)-c1c[nH]c2nccc(N3CCC[C@]4(CCCCN4)C3)c12 |r|
CNC1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1C[C@@]2(CN1c1ccnc3[nH]cc(-c4nccs4)c13)CCCCN2 |r|
C1CCN(CC1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CC(=O)N[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12 |r|
C1CNCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
Cc1cnc(s1)-c1c[nH]c2nccc(N3CCC4(CCN4)C3)c12
NC1CCN(C1)C1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
NC1CCN(CC1)[C@@]1(N)CCCN(C1)c1cccc2[nH]cc(-c3cncnc3)c12 |r|
CN1CCC[C@H](COc2ccnc3[nH]cc(-c4cncnc4)c23)C1 |r|
NN[C@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
COCCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN1CCCN(CC1)c1ccnc2[nH]cc(C#N)c12
C1CC(CCN1)Oc1ccnc2[nH]cc(-c3cncnc3)c12
CNCC1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3cn[nH]c3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(C#N)c12 |r|
C1NCC2CN(CC12)c1ccnc2[nH]cc(-c3cncnc3)c12
NC1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
FC1CCN(C1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CNC[C@@H](C1)Nc1ccnc2[nH]cc(-c3cncnc3)c12 |r|
Cc1cnc(s1)-c1c[nH]c2nccc(N3CC[C@@]4(C3)CCCCN4)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnn(C)c3)c12 |r|
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccccn4)c23)NC1 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccc(F)cn3)c12 |r|
C(Nc1ccnc2[nH]cc(-c3cncnc3)c12)C1CCCNC1
CN(C1CC1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
N#Cc1c[nH]c2nccc(N3CCC3)c12
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4cncnc4)c23)NC1 |r|
CCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnn(C)c3)c12 |r|
NC1(N)CCN(C1)c1ccnc2[nH]cc(C#N)c12
N#Cc1c[nH]c2nccc(N3CCCCC3)c12
FC1CCN(CC1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
Cc1cnc(s1)-c1c[nH]c2nccc(N3CCCC4(CCN4)C3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccnnc3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccn[nH]3)c12
CCN1CCCC[C@]11CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CN[C@]2(C1)CCN(C2)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CN[C@]2(C1)CCN(C2)c1ccnc2[nH]cc(-c3nccs3)c12 |r|
CN[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN1CC[C@H](COc2ccnc3[nH]cc(-c4cncnc4)c23)C1 |r|
Cc1[nH]ncc1-c1c[nH]c2nccc(N3CCC[C@H](N)C3)c12 |r|
C1C[C@@]2(CN1c1ccnc3[nH]cc(-c4ccncn4)c13)CCCCN2 |r|
Cn1cc(cn1)-c1c[nH]c2nccc(N3CCC[C@@](N)(C3)N3CCC(N)CC3)c12 |r|
CN(C)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C(Nc1ccnc2[nH]cc(-c3cncnc3)c12)C1CCNCC1
C1CCC(CNC1)Nc1ccnc2[nH]cc(-c3cncnc3)c12
N[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccncn3)c12
CN(C)c1ccnc2[nH]cc(C#N)c12
CN1CCCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3cccnc3)c12
C1CNCC(C1)Nc1ccnc2[nH]cc(-c3cncnc3)c12
C1CC(CCN1)Nc1ccnc2[nH]cc(-c3cncnc3)c12
O[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnc(C)nc3)c12 |r|
C1C[C@@H](CN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12)N1CCOCC1 |r|
C1CN(C1)c1ccnc2[nH]cc(-c3cc[nH]n3)c12
NNC1CCCN1c1ccnc2[nH]cc(C#N)c12
C1C[C@@]2(CN1c1ccnc3[nH]cc(-c4cncnc4)c13)CCCCN2 |r|
Cc1cnc2[nH]cc(-c3cn[nH]c3)c2c1N1CCCCC1
Cn1cc(cn1)-c1c[nH]c2nccc(N3CCCCC3)c12
C[C@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
Nc1cccc(n1)-c1c[nH]c2nccc(N3CCCCC3)c12
CNc1ccnc2[nH]cc(C#N)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
Fc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CC(CN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12)N1CCNCC1
C1CNC[C@H](C1)Oc1ccnc2[nH]cc(-c3cncnc3)c12 |r|
Nc1ccc(cn1)-c1c[nH]c2nccc(N3CCCCC3)c12
N#Cc1c[nH]c2nccc(N3CCNCC3)c12
N[C@@]1(CCCNC1)Nc1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CCN(CC1)c1ccnc2[nH]cc(-c3cccnn3)c12
C1CN(C1)c1ccnc2[nH]cc(-c3cccnc3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3cnccn3)c12
Cc1cnc2[nH]cc(-c3cncnc3)c2c1N1CCCCC1
NC1(N)CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
N#Cc1c[nH]c2nccc(N3CCCC3)c12
N#Cc1c[nH]c2nccc(N3CCOCC3)c12
N#Cc1c[nH]c2nccc(N3CCCC3Cc3ccccc3)c12
Cc1noc(C)c1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12 |(.27,-.46,;1.22,.76,;1.96,2.1,;3.47,1.81,;3.66,.28,;5.01,-.46,;2.27,-.37,;1.79,-1.83,;2.7,-3.08,;1.79,-4.33,;.33,-3.85,;-1.01,-4.62,;-2.34,-3.85,;-2.34,-2.31,;-1.01,-1.54,;-1.01,,;.33,.77,;.33,2.31,;-1.01,3.08,;-2.34,2.31,;-2.34,3.85,;-3.68,4.62,;-5.01,3.85,;-5.01,2.31,;-3.68,1.54,;-2.34,.77,;.33,-2.31,)|
N#Cc1c[nH]c2nccc(N3CCCC3c3ccccc3)c12
CN1CCN(CC1)C(=O)[C@@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
CC1CC[C@]2(N)CCN(C[C@]12N)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN([C@H]1C)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CN(C1)c1ccnc2[nH]cc(-c3cn[nH]c3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccccn3)c12
CN1CCN(CC1)c1ccnc2[nH]cc(C#N)c12
CN1CCCN(CC1)C(=O)[C@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
C1CN(C1)c1ccnc2[nH]cc(-c3ccccn3)c12
CCn1cc(cn1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccc4[nH]ncc4c3)c12
Cc1[nH]ncc1-c1c[nH]c2nccc(N3CCCCC3)c12
N[C@@]1(CNc2ccccc2)CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
Nc1cnc2[nH]cc(-c3cc[nH]n3)c2c1N1CCCCC1
Nc1ncc(cc1C#N)-c1c[nH]c2nccc(N3CCCCC3)c12
Clc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
CNC(=O)c1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
N#Cc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
N#Cc1c[nH]c2nccc(N3CCCC(C3)c3ccccc3)c12
Cn1ccc(n1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3n[nH]c4ccccc34)c12
N#Cc1c[nH]c2nccc(N3CCCCC3Cc3ccccc3)c12
Cn1nccc1-c1c[nH]c2nccc(N3CCCCC3)c12
CC(C)N[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
O=C([C@@H]1CCCN1c1ccnc2[nH]cc(C#N)c12)N1CCOCC1 |r|
Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r|
Cc1ccc(C(=O)OCc2ccc(cc2)C(CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1
Cc1ccc(C(=O)OCC2=CCC(C=C2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r,c:13,t:9|
NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
NCC(N=[N+]=[N-])C(=O)Nc1ccc(cc1)-c1cn[nH]c1
NCC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)n1cc(nn1)-c1ccccc1
NCC(O)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
NCC(Oc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
NCC(Oc1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
NCC(OCc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
NCC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
NCC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccc(F)cc1
NCC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccc(O)cc1
Cc1ccc(C(=O)Oc2ccc(cc2)C(CN)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c(C)c1
NCC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccc(CO)cc1
Cc1ccc(C(=O)OCc2ccc(cc2)C(CN)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c(C)c1
NCC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccc(C=O)cc1
NCC(C(=S)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
NCC(NC(=S)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
N#C\N=C(\NCc1ccccc1)Nc1ccc(cc1)-c1cn[nH]c1
NCCN(Cc1ccc(F)cc1)C(=O)c1ccc(cc1)-c1cn[nH]c1
NCC(C(=O)Nc1ccc(Oc2cn[nH]c2)cc1)c1ccccc1
NCC(C(=O)Nc1ccc(cc1F)-c1cn[nH]c1)c1ccccc1
NC[C@H](C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1 |r|
Cc1[nH]ncc1-c1ccc2cc(C(=O)NCc3ccccc3F)n(C)c2n1
Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1ccccc1F
COc1cccc(c1)C1(CC1)NC(=O)c1cc2ccc(nc2n1C)-c1cn[nH]c1
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NC1(CC1)c1ccccc1F
COc1cccc(c1)C1(CC1)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C
Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1c(Cl)cccc1C1(O)CC1
COc1cccc(OC)c1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C
COc1cccc(F)c1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C
Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1c(Cl)cccc1OC1COC1
Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1ccccc1OC1COC1
CCOc1cc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c(F)cc1C#N
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1ccccc1CF
Cn1c(cc2ccc(nc12)-c1cn[nH]c1C(F)(F)F)C(=O)NCc1ccccc1F
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1ccccc1C(F)F
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(F)(F)F
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1ccccc1C(F)(F)F
COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F
O=C(NCc1ccncc1)c1c[nH]c2nc(ccc12)-c1cn[nH]c1
OC[C@@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 |r|
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
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
C[C@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 |r|
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
COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
CCn1c(nc2cncc(-c3ccc(CN)cc3)c12)-c1nonc1N
c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3
CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N
NCCNc1nc(cc2cnccc12)-c1ccncc1
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1
CC(C)(N)CNc1nc(nc2cnccc12)-c1ccc2[nH]ncc2c1
C1CN(CCN1)c1nc(nc2cnccc12)-c1ccc2[nH]ncc2c1
C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1
NCCNc1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
NCCCNc1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
COCCOCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
CN(C)C(=O)Oc1cccc(NC(=O)C2(Cc3c[nH]cn3)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]c(C)c(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12
COc1cccc(c1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COc1ccc(cc1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
COC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
COC(=O)Cc1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
COC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(N)c2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(C)c2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncn2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccncn2)c1
COc1cccc(CC(=O)Nc2nnc(s2)-c2ccncc2)c1
COc1cccc(CC(=O)Nc2nc(ns2)-c2ccncc2)c1
COc1cccc(CC(=O)Nc2ccc(s2)-c2ccncc2)c1
COc1cccc(CC(=O)Nc2csc(c2)-c2ccncc2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncc2)c1
COc1cccc(CC(=O)Nc2cnc(s2)-c2ccncc2)c1
COc1cccc(CC(=O)Nc2csc(n2)-c2ccncc2)c1
COc1cccc(c1)C1CCCN(c2nc(cs2)-c2ccncc2)C1=O
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Nc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Clc1c2OCOc2ccc1CC(=O)Nc1nc(cs1)-c1ccncc1
O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1ccncc1
Oc1ccc(CC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Oc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Oc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1
COc1ccc(CC(=O)Nc2nc(cs2)-c2ccncc2)cc1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
COc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1
Fc1ccc(CC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Fc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Fc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1
O=C(Cc1ccccc1)Nc1nc(cs1)-c1ccncc1
Fc1ccccc1C(=O)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(N)c2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(N)c2)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(Cl)c2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(F)c2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(OC)c2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(c2)N(C)C)c1
CNc1cc(ccn1)-c1csc(NC(=O)Cc2cccc(OC)c2)n1
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12 |r|
NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 |r|
C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
NC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
[H][C@@]1(CC[C@@H](CC1)C(=O)Nc1ccnc2[nH]ccc12)[C@@H](C)N |r,wU:4.7,1.0,wD:19.23,(-1.43,8.98,;-2.33,8.49,;-3.67,7.73,;-3.68,6.19,;-2.35,5.41,;-1.01,6.17,;-1,7.71,;-2.35,3.87,;-3.42,3.26,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-3.66,9.23,;-3.65,10.46,;-4.73,8.62,)|
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(O)=O)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CN(C(=O)C1=C(C)NC(=O)NC1c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)c1ccc2[nH]ncc2c1 |c:4|
Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
C1CCC(C1)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
C(Cc1ccccc1)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
C(Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1)c1ccccc1
C1CN(CCN1)c1nc(NC2CCc3ccccc3C2)nc(Nc2ccncc2)n1
C1Cc2ccccc2C1Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
C1C(Cc2ccccc12)Oc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
C1C(Cc2ccccc12)Nc1nc(Nc2cccnc2)nc(n1)N1CCNCC1
C1C(Cc2ccccc12)Nc1nc(Nc2ccccn2)nc(n1)N1CCNCC1
C1C(Cc2ccccc12)Nc1nc(Nc2ccccc2)nc(n1)N1CCNCC1
C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCCC1
CN1CCN(CC1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1
C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCNCC1
CNCCN(C)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1
C[C@@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
C[C@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
C[C@@H]1CNCCN1c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
C[C@H]1CNCCN1c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
C1C(Cc2ccccc12)Nc1cc(Nc2ccncc2)nc(n1)N1CCNCC1
C1C(Cc2ccccc12)Nc1cc(nc(Nc2ccncc2)n1)N1CCNCC1
C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)cc(n1)N1CCNCC1
C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
C[C@H]1CN(CCN1C(NC#N)=Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r|
C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
CN1CCN(Cc2ccc(o2)-c2cccc(C#C)c2Cc2ccc3CC=Cc3c2C)CC1 |c:27|
CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CCCO |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CC(C)(C)O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccc[nH]1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccsc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccs1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccoc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccco1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cc(F)cc(F)c1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cc(F)ccc1O |r|
COc1ccccc1-c1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccc(O)cc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccc(O)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccccc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccccc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Nc1ncc(nc1N1CCN(CCO)CC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc(C)c1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1C
CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc(N)c1
CN1CCCN(CC1)c1nc(cnc1N)-c1cc[nH]n1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc2[nH]ccc12
CN1CCCN(CC1)c1nc(cnc1N)-c1cccc2[nH]ncc12
CN1CCCN(CC1)c1nc(cnc1N)-c1ccc2[nH]ncc2c1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccc2cn[nH]c2c1
CNc1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
CN(C)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
CCN(CC)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1NCCO)-c1ccncc1
COCCNc1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
COCCN(C)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N1CCCCC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N1CCOCC1)-c1ccncc1
C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccncc1
C1CCN(C1)c1ncc(nc1N1CCNCC1)-c1ccncc1
NC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CNC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
NCC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CNCC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccnc2[nH]ccc12
C1CCN(C1)c1ncc(nc1N1CCNCC1)-c1ccnc2[nH]ccc12
NC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccnc2[nH]ccc12
CN(C)c1ncc(nc1N1CCN(CCO)CC1)-c1ccncc1
Cn1c(nc2ccccc12)-c1nonc1N
CCn1c(nc2ccccc12)-c1nonc1N
CC(C)n1c(nc2ccccc12)-c1nonc1N
Nc1nonc1-c1nc2ccccc2n1C1CC1
Nc1nonc1-c1nc2ccccc2n1C1CCC1
Nc1nonc1-c1nc2ccccc2n1C1CCCC1
Nc1nonc1-c1nc2ccccc2n1C1CCCCC1
c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N
Nc1nonc1-c1nc2ccccc2n1CC1CCC1
CC(C)Cn1c(nc2ccccc12)-c1nonc1N
Nc1nonc1-c1nc2ccccc2n1-c1ccccc1
Nc1nonc1-c1nc2ccccc2n1-c1ccccc1C#N |(29.45,-32.67,;29.92,-34.14,;31.39,-34.61,;31.39,-36.15,;29.92,-36.63,;29.02,-35.38,;27.48,-35.38,;26.57,-34.13,;25.09,-34.61,;23.75,-33.84,;22.42,-34.61,;22.42,-36.16,;23.76,-36.93,;25.09,-36.16,;26.57,-36.64,;27.04,-38.1,;28.54,-38.41,;29.03,-39.87,;27.99,-41.03,;26.48,-40.71,;26.01,-39.24,;24.51,-38.92,;23,-38.6,)|
Nc1nonc1-c1nc2ccccc2n1-c1cccc(c1)C#N
Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N
COc1ccccc1-n1c(nc2ccccc12)-c1nonc1N |(24.61,-6.88,;25.42,-5.57,;26.96,-5.62,;27.69,-6.97,;29.23,-7.01,;30.03,-5.69,;29.3,-4.35,;27.77,-4.31,;27.04,-2.96,;27.95,-1.7,;27.03,-.45,;25.56,-.93,;24.22,-.16,;22.9,-.93,;22.89,-2.48,;24.23,-3.25,;25.56,-2.48,;29.48,-1.7,;30.39,-2.95,;31.85,-2.47,;31.85,-.93,;30.39,-.46,;29.91,1.01,)|
COc1cccc(c1)-n1c(nc2ccccc12)-c1nonc1N
COc1ccc(cc1)-n1c(nc2ccccc12)-c1nonc1N
Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1
Nc1nonc1-c1nc2cc(N)ccc2n1C1CCC1
COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
COC(=O)c1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
CC(=O)Nc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Cc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Nc1nonc1-c1nc2cc(CO)ccc2n1C1CCC1
CC(C)Cn1cc(nc1-c1nonc1N)-c1ccccc1
CC(C)Cn1cc(C)nc1-c1nonc1N
CC(C)Cn1cc(nc1-c1nonc1N)C#N
CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
CCn1c(nc2c(ncc(OC[C@@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Cc1c(sc2ccc(Cl)cc12)-c1ccnc(N)n1
CNc1nccc(n1)-c1sc2ccc(Cl)cc2c1C
CN(C)c1nccc(n1)-c1sc2ccc(Cl)cc2c1C
Cc1c(sc2ccc(Cl)cc12)-c1cc(N)ncn1
Cc1c(sc2ccc(Cl)cc12)-c1ccnc(N)c1
Cc1c(sc2ccc(Cl)cc12)-c1ccncc1
Cc1c(sc2ccc(Cl)cc12)-c1ccnc2[nH]ccc12
Cc1c(sc2ccc(Cl)cc12)-c1c[nH]c2ncccc12
Cc1c(sc2ccccc12)-c1ccnc(N)n1
Cc1c(sc2ccc(cc12)-c1ccccc1)-c1ccnc(N)n1
Cc1c(sc2ccc(Cc3ccccc3)cc12)-c1ccnc(N)n1
COc1ccccc1Cc1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
COc1cccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)c1
COc1ccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)cc1
Cc1c(sc2ccc(Cc3cccc(c3)C(F)(F)F)cc12)-c1ccnc(N)n1
Cc1c(sc2ccc(Cc3cccc(O)c3)cc12)-c1ccnc(N)n1
Cc1c(sc2ccc(Cc3cccc(c3)C(O)=O)cc12)-c1ccnc(N)n1
COC(=O)c1cccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)c1
Cc1c(sc2ccc(Oc3cccc(O)c3)cc12)-c1ccnc(N)n1
Cc1c(sc2ccc(Nc3cccc(O)c3)cc12)-c1ccnc(N)n1
COc1cccc(c1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Cc1c(sc2ccc(cc12)C(N)c1cccc(O)c1)-c1ccnc(N)n1
COc1ccc(cc1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Cc1c(sc2ccc(cc12)C(N)c1cccc(Cl)c1)-c1ccnc(N)n1
Cc1c(sc2ccc(cc12)C(N)c1cccc(C)c1)-c1ccnc(N)n1
Cc1c(sc2ccc(cc12)C(N)c1ccccc1)-c1ccnc(N)n1
Cc1c(sc2ccc(CN)cc12)-c1ccnc(N)n1
CC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
CCC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
CCCC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
CC(C)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
CC(C)CC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r|
CCN1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCC1CCN(C)CC1)-c1cn[nH]c1 |r|
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
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|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
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|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)n2)c1
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)c2)c1
COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2C)c1
COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2ccncc2)c1
COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2ccncc2)c1
COc1ccccc1CNC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
COc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1
FC(F)(F)Oc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
COc1cccc(CCNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
O=C(NCCc1cccs1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
COc1ccc(OC)c(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1ccccc1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1
COc1ccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)cc1
COc1cccc(c1)[C@@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
COc1cccc(CNC(=O)c2nc3cc(ccc3s2)-c2cc[nH]n2)c1
COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN(C)C)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCN(C)CC2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCCNCC2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCN(C)CC2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(CCCN(C)C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(cc3n2CCCO)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2C)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2CC2CC2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2Cc2cccc(OC)c2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCCO)-c2cn[nH]c2)c1
COc1cccc(CN(CC[N+]2(C)CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(C2CC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(CCCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cn(CCCO)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cn(CCN(C)C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cn(CCN(C)C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(CCN(C)C)C(=O)c2cn(CCN3CCCC3)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(C2CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
CCN(Cc1cccc(OC)c1)C(=O)c1c[nH]c2nc(ccc12)-c1cn[nH]c1
COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(ccc23)-c2cn[nH]c2)c1
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4
COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Cc1n[nH]cc1-c1cc2nc(C)[nH]c(=O)c2s1
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)-c1ccccc1
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)N1CCOCC1
CCOCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Cc1n[nH]cc1-c1cc2nc(CNCc3ccccc3)[nH]c(=O)c2s1
CN(C)Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Cc1n[nH]cc1-c1cc2nc(Cn3cccc3)[nH]c(=O)c2s1
Cc1n[nH]cc1-c1cc2nc(CC3CCCC3)[nH]c(=O)c2s1
CC(N1CCCC1)c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C(N1CCCC1)c1ccccc1
C[C@H]1CCCN1Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
C[C@@H]1CCN(Cc2nc3cc(sc3c(=O)[nH]2)-c2c[nH]nc2C)C1 |r|
C[C@H]1CCN(Cc2nc3cc(sc3c(=O)[nH]2)-c2c[nH]nc2C)C1 |r|
Cc1n[nH]cc1-c1cc2nc(CN3CC[C@H](F)C3)[nH]c(=O)c2s1 |r|
O=c1[nH]c(CN2CCCC2)nc2cc(sc12)-c1ccncc1
O=c1[nH]c(CN2CCCC2)nc2cc(sc12)-c1cn[nH]c1
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C1CCCCC1
CNCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Cc1n[nH]cc1-c1cc2nc(CN3CCCCC3)[nH]c(=O)c2s1
Cc1n[nH]cc1-c1cc2nc(CCN3CCCC3)[nH]c(=O)c2s1
Cc1n[nH]cc1-c1cc2nc(CN3CCC[C@@H]3CO)[nH]c(=O)c2s1
Cc1n[nH]cc1-c1cc2nc(CN3CCC(C3)c3ccccc3)[nH]c(=O)c2s1
CCc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:1.1,3.2,wD:6.9,(33.48,-24.28,;32.15,-25.06,;32.16,-26.6,;30.81,-24.3,;29.48,-25.08,;28.15,-24.32,;28.13,-22.78,;29.46,-22.01,;30.8,-22.77,;26.79,-22.02,;26.78,-20.49,;25.47,-22.81,;24.13,-22.05,;24.12,-20.5,;22.78,-19.74,;21.45,-20.53,;21.46,-22.07,;22.8,-22.83,)|
COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc23)cc1 |w:10.9|
COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1
COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1 |w:14.15|
COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|
COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
[#6]C1([#6])[#6]-2=[#6]-3-[#6]=[#6]-4-[#6](-[#6]-[#6]-[#7+]-5=[#6]-4C([#6])([#6])c4cc(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c6cccc7cnccc67)-[#6](-[#7])=O)ccc-54)-[#8]-[#6]-3-[#6]-[#6]-[#7]-2-c2ccc(cc12)S([#6])(=O)=O |r,c:3,5,10|
c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3
O=C(NCc1ccccc1)Nc1ccc(cc1)-c1ccncc1
OC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r|
Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1
O=C(NCCCc1ccccc1)Nc1ccc2[nH]ncc2c1
COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1
O=C(NCCc1ccccc1)Nc1ccc(cc1)-c1ccncc1
OC(CNC(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1
OC[C@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 |r|
O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
CN(CCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r|
CC(=O)Nc1ccc2[nH]ncc2c1
Clc1ccncc1C(=O)Nc1ccncc1
O=C(Nc1ccncc1)c1cccnc1
O=C(Nc1ccccc1)Nc1ccc2[nH]ncc2c1
c1cc2c(cc1N)cn[nH]2
Fc1ccc(cc1)-c1ccncc1C(=O)Nc1ccncc1
Fc1ccc(cc1)-c1cncc(c1)C(=O)Nc1ccncc1
OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2[nH]ncc2c1 |r|
CN(C)C(=O)Nc1ccc2[nH]ncc2c1
Brc1cncc(c1)C(=O)Nc1ccncc1
CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12
Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCN
CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(CC(N)=O)cc12
COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
NCc1ccc2c(N)nccc2c1
Nc1nccc2cc(CNCCOc3ccccc3)ccc12
Nc1nccc2cc(CNCCc3ccc(Cl)c(Cl)c3)ccc12
Cc1ccc(CCNCc2ccc3c(N)nccc3c2)cc1
COc1ccc(CCNCc2ccc3c(N)nccc3c2)cc1
Nc1nccc2cc(CNCCc3ccccc3)ccc12
Nc1nccc2cc(CNCCNc3ccccc3)ccc12
Nc1nccc2cc(CNCCc3cccc(c3)C(F)(F)F)ccc12
Nc1nccc2cc(CNCCc3ccncc3)ccc12
Nc1nccc2cc(CNCc3cccc(Oc4ccccc4)c3)ccc12
Nc1nccc2cc(CNCc3ccc4ccccc4c3)ccc12
Nc1nccc2cc(CNCc3ccccc3)ccc12
Nc1nccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Nc1nccc2cc(O[C@@H]3CCCNC3)ccc12 |r|
Nc1nccc2cc(OC3CCNCC3)ccc12
Nc1nccc2cc(O[C@@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Nc1nccc2cc(OC3CCN(Cc4ccccc4)CC3)ccc12
CS(=O)(=O)N1CCC[C@@H](C1)Oc1ccc2c(N)nccc2c1 |r|
CN(CCc1ccccc1)Cc1ccc2c(N)nccc2c1
C(N1CCC[C@@H](C1)Oc1ccc2cnccc2c1)c1ccccc1 |r|
O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3
C1CNCC(C1)Oc1ccc2cnccc2c1
O=c1[nH]ccc2cc(O[C@@H]3CCCNC3)ccc12 |r|
O=c1[nH]ccc2cc(O[C@H]3CCCNCC3)ccc12 |r|
NC[C@H]1CC[C@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
NC[C@@H]1CC[C@@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
CCN[C@H]1CCC[C@@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
N[C@H]1CCC[C@@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
N[C@H]1CC[C@@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
Cc1cc2c(cc[nH]c2=O)cc1O[C@H]1CCCNC1 |r|
Cc1c[nH]c(=O)c2ccc(O[C@H]3CCCNC3)cc12 |r|
O=c1[nH]ccc2cc(O[C@@H]3CCNC3)ccc12 |r|
O=c1[nH]ccc2cc(O[C@H]3CCNC3)ccc12 |r|
O=c1[nH]ccc2cc(OC3CCNCC3)ccc12
C(N1CCC[C@H](C1)Oc1ccc2cnccc2c1)c1ccccc1 |r|
C[C@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
CC[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
CC(C)[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
C[C@@H]1CCCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCO[C@H](C1)C(=O)Nc1ccccc1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)Nc1ccccc1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@H](C1)C(=O)Nc1ccccc1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCC1 |r|
C[C@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
C[C@@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)Nc1ccccc1 |r|
C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)NC1CCCCC1 |r|
CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](OC[C@H]1C)C(=O)NC1CCCCC1 |r|
CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)NC1CCCCC1 |r|
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCC(C1)NC(=O)c1ccccc1
CC(C)(C)OC(=O)NC1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)NC(=O)OC(C)(C)C |r|
C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](C)C[C@H](C1)N(C)C(=O)OC(C)(C)C |r|
C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)N(C)C(=O)CC(C)(C)C |r|
Cc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CC(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)-c1ccccc1
COc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CCNc1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1
CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1
Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1
CN(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Nc1[nH]nc2cc(ccc12)-c1cc(nc(N)n1)N1CCOCC1
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCCC1
C[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1 |r|
Nc1[nH]nc2cc(ccc12)-c1cc(nc(N)n1)N1CCO[C@@H](C1)C(=O)Nc1ccccc1 |r|
C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)C(=O)Nc1ccccc1 |r|
C[C@@H]1CO[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
CC(C)(C)OC(=O)N[C@H]1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCC1
C[C@H]1CCNCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
COc1c(cccc1-c1ccc2c3cn[nH]c3ccc2n1)B(O)O
O=C(CCCC1CCSS1)N1CCCN(CC1)S(=O)(=O)c1cccc2cnccc12
CC(C)NC(=O)COc1cccc(c1)-c1ncc2c(Nc3ccc4[nH]ncc4c3)cccc2n1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
NCc1ccc(cc1)C(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Clc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
COc1cc(cc2c1nc([nH]c2=O)C(N)c1cccc(Cl)c1)-c1cn[nH]c1
NC(c1cccc(Cl)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1 |r|
COc1cc(cc2c1nc([nH]c2=O)[C@H](N)Cc1cccc(F)c1)-c1cn[nH]c1 |r|
N[C@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1cccc(CN(CCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(c1)C(CCO)NC(=O)Nc1ccc(cc1)-c1cn[nH]c1
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cn2)-c2cn[nH]c2)c1
OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1cccc(F)c1
CN(C)CCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r|
COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCOCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
OCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CN1c2c(Br)c(sc2C(=O)NC1(C)C)-c1cn[nH]c1
CN1c2c(C)c(sc2C(=O)NC1(C)C)-c1cn[nH]c1
Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)C3CCCCC3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(72.5,-50.69,;72.02,-49.23,;70.56,-48.75,;70.56,-47.21,;72.02,-46.74,;72.93,-47.98,;74.47,-47.98,;75.38,-49.23,;76.85,-48.75,;78.18,-49.51,;79.5,-48.75,;79.5,-50.29,;80.82,-51.06,;82.16,-50.3,;83.7,-50.3,;82.16,-48.76,;80.83,-47.98,;82.93,-51.63,;82.15,-52.96,;82.92,-54.29,;84.46,-54.3,;85.23,-52.97,;84.47,-51.62,;79.51,-47.21,;78.18,-46.43,;78.18,-44.89,;76.85,-47.2,;75.38,-46.72,)|
Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@@](O)(CC3)C3CCCCC3)NC(=O)c2s1 |r,wU:10.11,wD:13.14,(58.03,-53.56,;57.56,-52.1,;56.09,-51.62,;56.09,-50.08,;57.56,-49.61,;58.46,-50.85,;60,-50.85,;60.91,-52.1,;62.38,-51.62,;63.71,-52.38,;65.04,-51.62,;65.03,-53.16,;66.35,-53.93,;67.69,-53.17,;68.46,-54.5,;67.7,-51.63,;66.37,-50.85,;69.23,-53.17,;70,-54.51,;71.53,-54.51,;72.31,-53.18,;71.54,-51.84,;69.99,-51.83,;65.04,-50.08,;63.71,-49.3,;63.72,-47.76,;62.38,-50.07,;60.91,-49.59,)|
Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)|
Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.14,(20.26,-53.26,;19.79,-51.8,;18.32,-51.32,;18.32,-49.78,;19.79,-49.31,;20.69,-50.55,;22.23,-50.54,;23.14,-51.8,;24.62,-51.32,;25.95,-52.08,;27.27,-51.32,;27.26,-52.86,;28.58,-53.63,;29.92,-52.87,;30.69,-54.2,;29.93,-51.33,;28.6,-50.55,;31.46,-52.87,;32.23,-54.2,;33.77,-54.21,;34.54,-52.87,;36.08,-52.87,;33.76,-51.53,;32.22,-51.54,;27.28,-49.78,;25.95,-49,;25.95,-47.46,;24.62,-49.77,;23.14,-49.29,)|
Cc1n[nH]cc1-c1cc2NC3(CCCCC3)NC(=O)c2s1
CCc1n[nH]cc1-c1cc2N(C)C(C)(C)NC(=O)c2s1
CN1c2cc(sc2C(=O)NC1(C)C)-c1c(C)n[nH]c1C
CN1c2cc(sc2C(=O)NC1(C)CC(F)(F)F)-c1c[nH]nc1C
CN1c2cc(sc2C(=O)NC1(C)C)-c1c[nH]nc1C
CN1c2cc(sc2C(=O)NC1(C)C)-c1cn[nH]c1
CC1(C)Nc2cc(sc2C(=O)N1Cc1ccccc1)-c1ccncc1
CN1C(=O)c2sc(cc2NC1(C)C)-c1ccncc1
O=C1NC2(CCCCC2)Nc2cc(sc12)-c1ccncc1
O=C1NC2(CCCC2)Nc2cc(sc12)-c1ccncc1
CC1(CC(F)(F)F)Nc2cc(sc2C(=O)N1)-c1ccncc1
CCCC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1
CCC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1
CN1c2cc(sc2C(=O)NC1(C)C)-c1ccncc1
CC1(C)Nc2sc(cc2C(=O)N1)-c1ccncc1
O=C1NC2(CCCCCC2)Nc2cc(sc12)-c1ccncc1
CC(C)C1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1
CC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1
C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1
CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1
O=C(Cc1cccc(OCCCN2CCOCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nc(cs1)-c1ccncc1
CN1CCC(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CC(C)S(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN(C)S(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc3[nH]ccc23)c1
Oc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1ccccc1)Nc1nc(cs1)-c1ccnc2[nH]ccc12
O=C(Cc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ncccc12
COc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CC(C)NS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
COCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CCCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
O=C(Cc1cccc(c1)C#N)Nc1nc(cs1)-c1c[nH]c2ncccc12
c1ncc(o1)-c1ccc(nc1)-c1cnc(o1)-c1cccc(n1)-c1ncc(o1)-c1ccc(cn1)-c1cnco1
CN(C)CCOc1cc(nc(c1)-c1ncc(o1)-c1ccc(cn1)-c1cnco1)-c1ncc(o1)-c1ccc(cn1)-c1cnco1
c1ncc(o1)-c1cccc(n1)-c1cnc(o1)-c1cccc(n1)-c1cccc(n1)-c1ncc(o1)-c1cccc(n1)-c1cnco1
O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccncc1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
CN1CCC[C@H]1c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCN1 |r|
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC=CCN1
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCCN1 |r|
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@]1(C)CCCN1
C[C@H]1CCN[C@@H]1c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CCC(CC1)N2
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2 |wD:16.18,(23.9,-5.5,;23.5,-6.99,;22.05,-7.46,;22.05,-9,;23.5,-9.47,;24.42,-8.23,;25.96,-8.23,;26.79,-6.94,;28.26,-7.33,;29.55,-6.49,;30.92,-7.17,;31.02,-8.7,;29.74,-9.56,;29.74,-11.1,;28.36,-8.87,;26.92,-9.42,;32.26,-6.4,;32.26,-4.86,;33.59,-4.09,;34.93,-4.86,;34.93,-6.4,;33.59,-7.17,;33.99,-5.69,;33.19,-5.58,)|
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CC2CCN1CC2 |r,wU:16.18,(31.13,-24.46,;30.64,-23,;29.17,-22.53,;29.17,-20.98,;30.63,-20.5,;31.55,-21.74,;33.09,-21.72,;34,-22.97,;35.46,-22.48,;36.8,-23.25,;38.13,-22.48,;38.13,-20.94,;36.8,-20.16,;36.8,-18.62,;35.45,-20.94,;33.98,-20.47,;39.45,-23.25,;40.78,-22.49,;42.11,-23.26,;42.11,-24.8,;40.77,-25.56,;39.45,-24.79,;40.95,-24.54,;40.79,-23.43,)|
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CCCCN1
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CC(C1)CN2
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCN1
FC(F)(F)c1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCC(C)(C)N1 |r|
C[C@@H]1CN[C@@H](C1)c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCC(C)(C)O)c1 |r|
CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
CCCOc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccncc1F |r|
COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
FC(F)(F)Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
O=C(NCc1cccc2OCCOc12)c1ccc(cc1)-c1ccncc1
CN(C)CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc(cc1)-c1ccncc1
COc1cccc(c1)[C@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(C)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc(C)nc(C)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCCO)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCCCO)c1 |r|
O=C(N[C@H](CCN1CCCC1)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r|
CCCOc1cccc(c1)[C@@H](CCN1CCCCC1)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
Fc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
CCCOc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCN)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCN)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CC[C@@H](CN)C1)-c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@@H](CN)C1)-c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1OC
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(N)c1 |r|
COc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC(CN)CC1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@H](CN)C1)-c1ccncn1 |r|
CCNc1cc(ccn1)-c1ccc(cc1)C(=O)N[C@H](C)c1cccc(OC)c1 |r|
O=C(NCc1ccccc1)c1ccc(cc1)-c1ccncc1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(Cl)c1 |r|
COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CC[C@H](CN)C1)-c1ccncn1 |r|
CCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
O=C(NCc1cccc2OCCCOc12)c1ccc(cc1)-c1ccncc1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCC2CC2)c1 |r|
COc1cccc(c1)[C@@H](CCN1CCOCC1)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
CCCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnnc1 |r|
CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
COc1c(cccc1-c1nc2ccc3[nH]ncc3c2c2CCCc12)B(O)O
CN(\N=C\c1ccccc1)S(=O)(=O)c1cccc2cnccc12
COc1nc(N[C@H]2CC[C@H](N)CC2)c(F)cc1C(N)=O |r,wU:9.9,wD:6.5,(18.24,-11.28,;18.24,-9.74,;16.91,-8.97,;15.58,-9.74,;14.25,-8.96,;12.91,-9.73,;11.58,-8.96,;11.58,-7.42,;10.25,-6.64,;8.92,-7.42,;7.59,-6.65,;8.92,-8.96,;10.25,-9.72,;14.24,-7.43,;12.91,-6.66,;15.57,-6.66,;16.91,-7.43,;18.25,-6.66,;19.58,-7.43,;18.25,-5.12,)|
FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)occc3=O)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3occc(=O)c3c2)c1
Brc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cc1nc(cs1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(cc3)N(C)C)c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3NC(=O)CCc3c2)c1
COc1cc(OCC(=O)Nc2cccc(NC(=O)c3ccc(cc3)N(C)C)c2)ccc1C=O
COc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(cc3)N(C)C)c2)cc1OC
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3OCOc3c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3OCCOc3c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3C(=O)CCOc3c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(occc3=O)c2C)c1
CCCC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CCCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1
COc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cc1cc(ccc1C(F)(F)F)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
FC(F)(F)c1ncc(s1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cc1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
NCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
OC(=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(NC(=O)COc2ccc3c(c2)occc3=O)ccc1C
CN(C)c1ccc(cc1)C(=O)Nc1ccc(C)c(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1C
CN(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(Br)cc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)occc3=O)cc1C(F)(F)F
CN(C)c1ccc(cc1)C(=O)Nc1ccc(CNC(=O)COc2ccc3c(c2)occc3=O)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NS(=O)(=O)COc2ccc3c(c2)occc3=O)c1
CC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Nc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3CCC(=O)Nc3c2)c1
COc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(cc3)N(C)C)c2)cc1F
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occ(C)c3=O)c1
O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccccc2)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
FC(F)(F)Oc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)(C)c1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Nc1cccc(c1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(C)cc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(NC(=O)COc2ccc3c(c2)occc3=O)cc(c1)C(F)(F)F
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CCOc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cn1ccc(n1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)occc3=O)cc1C
COC(=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Fc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(NC(=O)COc2ccc3c(c2)occc3=O)cc(C)c1C
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc(C(C)=O)c(F)c2)c1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1
Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 |r,wD:16.18,(2.37,-.54,;3.52,.49,;3.36,2.02,;4.77,2.65,;5.8,1.51,;7.33,1.67,;5.03,.17,;5.65,-1.23,;7.16,-1.55,;7.32,-3.09,;5.91,-3.71,;4.88,-2.57,;3.35,-2.73,;8.65,-3.86,;9.99,-3.09,;8.65,-5.4,;9.99,-6.17,;11.32,-5.4,;12.65,-6.17,;9.99,-7.71,;11.32,-8.48,;12.65,-7.71,;13.99,-8.48,;13.99,-10.02,;15.32,-10.79,;12.65,-10.79,;12.65,-12.33,;11.32,-10.02,)|
CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:8.11,5.4,wD:7.29,(76.34,-11.8,;75,-12.56,;73.67,-11.79,;73.68,-10.25,;72.34,-12.55,;71.01,-11.78,;71.01,-10.23,;69.68,-9.47,;68.34,-10.24,;68.34,-11.77,;69.67,-12.55,;67.01,-9.46,;65.68,-10.23,;65.67,-11.77,;64.34,-9.46,;62.93,-10.08,;61.9,-8.93,;62.68,-7.6,;62.05,-6.19,;64.18,-7.92,;60.37,-9.09,;59.59,-10.42,;60.22,-11.83,;58.09,-10.1,;57.93,-8.57,;59.34,-7.94,;59.66,-6.44,;69.68,-7.94,;68.35,-7.17,;68.35,-5.62,;69.68,-4.85,;69.67,-3.31,;71.01,-5.62,;72.34,-4.84,;71.02,-7.17,)|
Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1
Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:24.27,(5.73,-5.85,;5.41,-7.35,;4,-7.98,;4.16,-9.51,;5.66,-9.83,;6.29,-11.24,;6.44,-8.5,;7.97,-8.34,;9,-9.49,;10.41,-8.86,;10.25,-7.33,;8.75,-7.01,;8.12,-5.6,;11.75,-9.64,;11.74,-11.18,;13.08,-8.87,;14.41,-9.65,;14.41,-11.18,;15.74,-11.96,;17.08,-11.19,;18.41,-11.96,;19.74,-11.2,;21.07,-11.97,;17.08,-9.64,;15.75,-8.88,;15.75,-7.35,;14.42,-6.58,;14.42,-5.03,;15.75,-4.26,;15.74,-2.72,;17.08,-5.03,;18.41,-4.25,;17.09,-6.58,)|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1ccncc1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1ccncc1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1ccncc1
COc1ccc2OC[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1ccncc1 |r|
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1c[nH]nc1C
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
COc1ccc2OC[C@@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1ccncc1 |r|
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1ccncc1
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1ccncc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
COc1cccc(Cn2cnc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(Cn2ncc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(Cn2ccc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccncc2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2cccnc2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccc(cc2)-c2ccncc2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(F)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(Cl)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(C)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(OC)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccc(N)nc2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2cccc3[nH]ccc23)c1
Fc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1
FC(F)(F)c1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1
COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc1
COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc1OC
COc1cc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc(OC)c1
Nc1cc(ccn1)-c1cc2c(ncn(Cc3cccc(F)c3)c2=O)s1
Nc1cc(ccn1)-c1cc2c(ncn(Cc3cccc(c3)C(F)(F)F)c2=O)s1
COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc1
COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc1OC
COc1cc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc(OC)c1
COc1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1 |r|
COc1cc(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)ccc1-c1cn[nH]c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1c(F)cccc1F |r|
COc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnco1
COc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1cn[nH]c1 |r|
COc1cc(NC(=O)[C@H](O)c2ccccc2Cl)ccc1-c1cn[nH]c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](c1ccccc1F)C(C)(C)O |r|
COc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cn[nH]c1
COc1cc(NC(=O)[C@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1 |r|
COc1cc(NC(=O)[C@H](N)c2ccccc2Cl)ccc1-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N |r|
CCc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1cccc(OC)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1F |r|
CCN1CCC[C@H]1CNC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
CCNC(=O)c1cc(CNC(=O)c2ccc-3c(c2)C(CC)Oc2cnccc-32)ccc1F
CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
CN1CC(C1)NC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
CNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(c1)C(Oc1cnccc-21)C1CC1
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(c1)C(C)Oc1cnccc-21
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OC(C)c3cnccc-23)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cnc(N)cc-23)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cncnc-23)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c3ccncc3[nH]c(=O)c2c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)c1cnccc21 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cnccc-23)c1 |r|
COc1cccc(n1)C(C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1 |r|
C[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
COc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O=C(NCc1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(Cc1ccccc1)Nc1ccc-2c(OCc3cnccc-23)c1
N[C@@H](C(=O)Nc1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
N[C@H](Cc1ccccc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
N[C@@H](COc1ccc-2c(OCc3cnccc-23)c1)Cc1ccccc1 |r|
C[C@H]1CCNCCN1S(=O)(=O)c1cccc2cncc(F)c12 |r|
Fc1cnc2[nH]cc(-c3csc(NC(=O)Cc4cccc(OCCCC5CCNCC5)c4)n3)c2c1
Fc1ccnc2[nH]cc(-c3csc(NC(=O)Cc4cccc(OCCCC5CCNCC5)c4)n3)c12
CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncc(F)cc34)c2)CC1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncc(F)cc34)c2)CC1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4nccc(F)c34)c2)CC1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(Br)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(Cl)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3nccc(Cl)c23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(O)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(F)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3nccc(F)c23)c1
Cc1sc(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)nc1-c1c[nH]c2ncccc12
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(ncn2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nccc(n2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nnc(s2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2ccc(s2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cnc(s2)-c2c[nH]c3ncccc23)c1
Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
COc1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1
COc1cccc(Cn2ncc3ccc(cc3c2=O)-c2cn[nH]c2)c1
CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
COc1cccc(CN2COc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CCCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CC(C)(C)Oc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc3OCOc3c2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccnc(N)c2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc(N)nc2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cncnc2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccnc3[nH]ccc23)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1
COc1cccc(CN2CCOc3ccc(cc3C2=O)-c2ccncc2)c1
FC(F)(F)c1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
FC(F)(F)Oc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
O=C1N(Cc2cccc(c2)C#N)CCOc2cc(ccc12)-c1ccncc1
COC(=O)c1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
O=Cc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
COc1cc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)cc(OC)c1
COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
O=C(COc1cccc2c1cc[nH]c2=O)c1ccccc1
C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(F)c12)C(=O)OCCO[N+]([O-])=O |r|
C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(F)c12)C(=O)OCCCO[N+]([O-])=O |r|
C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(F)c12)C(=O)OCCCCO[N+]([O-])=O |r|
C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(F)c12)C(=O)OCCCCCO[N+]([O-])=O |r|
[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2OC(=O)N1CCCN([C@@H](C)C1)S(=O)(=O)c1cccc2cncc(F)c12 |r|
CN(C)C(C(=O)Nc1ccc2c(cc[nH]c2=O)c1)c1ccsc1
OCCOc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
COc1ccc2c(c1)[nH]c1c(C)nccc21
O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccccc1CC(=O)Nc1ccc(cc1OCCN1CCCC1)-c1cn[nH]c1
NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1
[H][C@]12CN(C[C@@]1([H])NCCC2)c1cc(Nc2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)nc(N)n1 |r|
Nc1nc(Nc2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)cc(n1)-c1ccncc1
N[C@H](Cc1cccc(F)c1)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
NCc1ccc(Oc2ccc3COB(O)c3c2)c(Cl)c1
Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F
B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O
CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
OCCOc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
O=C1C(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C1CC(CN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C1C(CCN1c1ccccc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C1OC(CN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C1N(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C1N(CCN1c1cccnc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C1N(Cc2ccccc2)CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=c1n(Cc2ccccc2)cnn1-c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C1C(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccccc1
O=C1C(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NCc1ccccc1
O=C1C(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NC1CCCC1
COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
CC(C)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
CS(=O)(=O)c1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
FC(F)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
FC(F)(F)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
Cc1nc2ccc(NC3CCN(C3=O)c3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)cc2s1
FC(F)(F)Oc1cccc(OC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r|
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(cc1)B(O)O
C1Cc2ccc(Oc3cccc4[nH]cc(-c5ccncc5)c34)cc2CN1
Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
CC(=O)NCCc1cc(O)c(O)cc1[C@@H](NC(C)=O)C(=O)c1ccc(O)c(O)c1 |r|
COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(OCCN(C)C)cc2C1)-c1cn[nH]c1
O=c1ccccn1-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Cc1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
O=c1cc(ccn1-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1)C#N |r|
NC(=O)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c1=O |r|
Cc1ccc(=O)n(c1)-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Fc1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
CCc1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1C |r|
FC(F)(F)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cc(=O)n(cc1F)-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
O=c1cc(ccn1-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1)-c1ccccc1 |r|
CC(C)(C)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
O=c1ccccn1-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Cc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
O=c1cc(ccn1-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1)C#N |r|
NC(=O)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c1=O |r|
Cc1ccc(=O)n(c1)-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Fc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
CCc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1C |r|
FC(F)(F)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cc(=O)n(cc1F)-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
O=c1cc(ccn1-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1)-c1ccccc1 |r|
CC(C)(C)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
FC(F)c1c(Br)c(Br)cc2c1nc(N1CCNCC1)n2C1CCOCC1
Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1
CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCO[N+](=O)[O-])cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCCO[N+](=O)[O-])cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCCCO[N+](=O)[O-])cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)O[C@@H]2CO[C@@H]3[C@H]2OC[C@@H]3O[N+](=O)[O-])cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2ccc(CO[N+](=O)[O-])cc2)cc1
NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1
NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC