4197 SMILES Strings for Aurora kinase A

Compound Name
SMILES String
CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(c3F)C(F)(F)F)C(O)=O)ccc2F)n[nH]1
COc1ccc(CC2(CCN(CC2)C(=O)c2cccc(Cl)c2F)C(O)=O)nc1Nc1cc(C)[nH]n1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(O)=O)ccc2Cl)n[nH]1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(O)=O)ccc2F)n[nH]1
CNC(=O)C1(Cc2ccc(F)c(Nc3cc(C)[nH]n3)n2)CCN(CC1)C(=O)c1cccc(Cl)c1F
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(=O)NC3CC3)ccc2F)n[nH]1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(=O)N3CCC3)ccc2F)n[nH]1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3noc(C)n3)ccc2F)n[nH]1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3ncon3)ccc2F)n[nH]1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nc(C)no3)ccc2F)n[nH]1
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(O)=O)ccc2C#N)n[nH]1
COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C)cc3)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(F)cc3)c2C1
COc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(C)=O
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C#N)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
Cc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1cccc2cccnc12
CC(C)C(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
CC(C)NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
O=C(Cc1ccccc1)Nc1[nH]nc2CN(Cc12)C(=O)Nc1ccccc1
NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r|
CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1
CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1
CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C(C)(C)C)c2C1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1
CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1
COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5
COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3ncc(NC(=O)c4ccccc4)cn3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3cnc(NC(=O)c4ccc(C)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
CCc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
COc1cc2c(Nc3cnc(NC(=O)c4ccncc4)nc3)ncnc2cc1OCCCN1CCOCC1
CCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)[C@H](F)c1ccccc1 |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)[C@H](O)c1ccccc1 |r|
C[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
CO[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1
C1CCC(CC1)n1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
COCCN1CCN(CC1)Nc1ncc2ccn(C3CCCCC3)c2n1
OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1
O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CC5CCC4C5)c3n2)cc1 |THB:18:19:25:23.22|
COc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4Cc5ccccc5C4)c3n2)cc1
CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccnc4)c3n2)c1
CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)c1
CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1
CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C#N)c3n2)c1
COc1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12
CC(C)c1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12
CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(N)=O)c3n2)c1
CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CCCC4)c3n2)c1
CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
OC(=O)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(ccc12)C1C[C@@]11C(=O)Nc2ccccc12 |r|
O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CCN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cccc(CN6CCOCC6)c5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cccc(CN(C)C)c5)n[nH]c4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)Nc3ccc(Cl)cc23)cc1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(CCN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(cc5)C(=O)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|
COCCN1C(=O)[C@@]2(CC2c2ccc3c(\C=C\c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc12 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5cc(F)c(CN(C)C)c(F)c5)n[nH]c4c3)c2c1 |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Cc1cc(n[nH]1)-c1nc2cc3c(NC(=O)C3(C)C)cc2[nH]1
CCN1C(=O)C(C)(C)c2cc3nc([nH]c3cc12)-c1cc(C)[nH]n1
C1Cc2c([nH]c3ccccc23)-c2n[nH]cc12
Cc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
C1CC1c1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
CCOC(=O)c1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
OCc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
Cc1cc(n[nH]1)-c1cc2ccccc2[nH]1
Cc1[nH]nc-2c1Cc1c-2[nH]c2ccccc12
Cc1[nH]nc-2c1CCCc1c-2[nH]c2ccccc12
CCN1C(=O)C(C)(C)c2cc3[nH]c4-c5n[nH]c(C)c5CCCc4c3cc12
Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3c(NC(=O)C3(C)C)cc12
Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3NC(=O)C(C)(C)c3cc12
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r|
C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1NC(C)=O)c1ccccc1 |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Fc1ccc(Nc2nccs2)cc1
Fc1ccc(Nc2ncc(Cl)s2)cc1
Fc1ccc(Nc2ncc(Br)s2)cc1
Fc1ccc(Nc2nc(Br)cs2)cc1
Fc1ccc(Nc2ncc(I)s2)cc1
CN(c1ncc(Br)s1)c1ccc(F)cc1
Brc1cnc(Nc2ccccc2)s1
Clc1ccc(Nc2ncc(Br)s2)cc1
Brc1cnc(Nc2ccc(Br)cc2)s1
Brc1cnc(Nc2ccc(I)cc2)s1
Cc1ccc(Nc2ncc(Br)s2)cc1
FC(F)(F)c1ccc(Nc2ncc(Br)s2)cc1
Brc1cnc(Nc2ccc(cc2)C#N)s1
Oc1ccc(Nc2ncc(Br)s2)cc1
COc1ccc(Nc2ncc(Br)s2)cc1
FC(F)(F)Oc1ccc(Nc2ncc(Br)s2)cc1
Brc1cnc(Nc2ccc(Oc3ccccc3)cc2)s1
Brc1cnc(Nc2ccc(Oc3ccncc3)cc2)s1
CC(=O)c1ccc(Nc2ncc(Br)s2)cc1
[O-][N+](=O)c1ccc(Nc2ncc(Br)s2)cc1
Nc1ccc(Nc2ncc(Br)s2)cc1
Brc1cnc(Nc2ccc(NC(=O)c3ccccc3)cc2)s1
CC(=O)Nc1ccc(Nc2ncc(Br)s2)cc1
CCOC(=O)c1ccc(Nc2ncc(Br)s2)cc1
OC(=O)c1ccc(Nc2ncc(Br)s2)cc1
CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br
OCCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
COCCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
COCC(C)NC(=O)c1ccc(Nc2ncc(Br)s2)cc1
COCCN(C)C(=O)c1ccc(Nc2ncc(Br)s2)cc1
CN(C)CCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
CCN(CC)CCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
Brc1cnc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)s1
Brc1cnc(Nc2ccc(cc2)C(=O)NCCN2CCCC2)s1
Fc1cccc(Nc2ncc(Br)s2)c1
Cc1cccc(Nc2ncc(Br)s2)c1
FC(F)(F)c1cccc(Nc2ncc(Br)s2)c1
COc1cccc(Nc2ncc(Br)s2)c1
CSc1cccc(Nc2ncc(Br)s2)c1
Brc1cnc(Nc2cccc(c2)C#N)s1
CCOC(=O)c1cccc(Nc2ncc(Br)s2)c1
OC(=O)c1cccc(Nc2ncc(Br)s2)c1
COCCNC(=O)c1cccc(Nc2ncc(Br)s2)c1
CNC(=O)c1cccc(Nc2ncc(Br)s2)c1
Fc1ccccc1Nc1ncc(Br)s1
Cc1ccccc1Nc1ncc(Br)s1
FC(F)(F)c1ccccc1Nc1ncc(Br)s1
COc1ccccc1Nc1ncc(Br)s1
Fc1ccc(Nc2ncc(Br)s2)c(F)c1
Fc1ccc(F)c(Nc2ncc(Br)s2)c1
Clc1ccc(Nc2ncc(Br)s2)cc1Cl
Clc1cc(Cl)cc(Nc2ncc(Br)s2)c1
Cc1cc(C)cc(Nc2ncc(Br)s2)c1
FC(F)(F)c1cc(Nc2ncc(Br)s2)cc(c1)C(F)(F)F
Nc1ncc(Br)s1
CC(=O)Nc1ncc(Br)s1
Brc1cnc(NC(=O)c2ccccc2)s1
Brc1cnc(NC(=O)Nc2ccccc2)s1
Brc1cnc(NCCc2ccccc2)s1
Brc1cnc(Nc2cccc3ccccc23)s1
Brc1cnc(Nc2ccccn2)s1
Brc1cnc(Nc2cccnc2)s1
Brc1cnc(Nc2ccncc2)s1
N#Cc1cnc(Nc2ccccn2)s1
N#Cc1cnc(Nc2ccc(CN3CCOCC3)cn2)s1
CNC(=O)N1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
CN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
OCCN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4ccc(F)cc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(Cl)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C#N)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(O)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C(F)(F)F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO |r|
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCN(CCO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(O)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CCO)CC1
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCNCCO
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO
CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 |r|
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 |r|
COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC
COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1 |r|
FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(CCNc2ncnc3ccsc23)cc1
FC(F)(F)c1cccc(NC(=O)c2ccc(CCNc3ncnc4ccsc34)cc2)c1
FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(CCNc3ncnc4ccsc34)c2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cn(CCNc3ncnc4ccsc34)cn2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cn(CCNc3ncnc4ccsc34)nn2)c1
c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F
FC(F)(F)c1cccc(NC(=O)Nc2nc(CCNc3ncnc4ccsc34)cs2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1
FC(F)(F)c1cccc(CC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
FC(F)(F)c1cccc(NC(=O)Cc2ncc(CCNc3ncnc4ccsc34)s2)c1
O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
CN(C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1)c1ccccc1
Cc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
COc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(c1)C#C
Fc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3
Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1
Clc1ccccc1NC(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1
Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Fc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc2cc[nH]c12
O=C(NC1CCCCC1)Nc1ncc(CCNc2ncnc3ccsc23)s1
FC(F)(F)c1cc(CN2CCCC2)cc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(CCN2CCC2)c1
CC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(CC(C)(C)O)c2)ncc1Cl
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1
Clc1cnc(Nc2cnn(c2)-c2ccccn2)nc1NC1CC2CN(CC2C1)C(=O)CC#N
COc1ccc(cn1)-n1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC3CC3)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)C3CC3)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)C3CC3)n2)cn1
CCOC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)CC3CC3)n2)cn1
CCNC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)NC3CC3)n2)cn1
CCNS(=O)(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)C(C)(C)C)n2)cn1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)S(C)(=O)=O)n2)cn1
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
Clc1cnc(Nc2cnn(c2)C2CCNC2)nc1NC1CC2CN(CC2C1)C(=O)NC1CC1
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)NC3CC3)n2)cn1
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)C3CC3)n2)cn1
CCNS(=O)(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(CC(C)O)c2)ncc1Cl
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)CC3CC3)n2)cn1
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1
Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1)C(C)(C)C
Fc1ccc(cc1)-n1cccc(C(=O)N2CCOc3cc(Oc4ccnc5[nH]c(=O)c6CCCCc6c45)ccc23)c1=O
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)c5CCCCc5c34)cc2)c1=O
O=c1[nH]c2nccc(Oc3ccc4NCCOc4c3)c2c2CCCCc12
Nc1ccc(Oc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Clc1ccnc2[nH]c(=O)c3nn(cc3c12)C(c1ccccc1)(c1ccccc1)c1ccccc1
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5n[nH]cc5c34)cc2)c(c1)C(F)(F)F
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4n[nH]cc4c23)cc1)c1ccccc1
Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CNCCc4c23)cc1
Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CNCCc4c23)cc1
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4CNCCc4c23)cc1)c1ccccc1
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCNCc4c23)cc1)c1ccccc1
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CNCCc5c34)cc2)c(c1)C(F)(F)F
Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Clc1cccc(Cl)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Fc1cc(F)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)cc2)c1F
Fc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CN(Cc5ccccc5)CCc4c23)cc1
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4CN(Cc5ccccc5)CCc4c23)cc1)c1ccccc1
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)cc2)c(c1)C(F)(F)F
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1)c1ccccc1
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)cc1)c1ccccc1
O=c1[nH]c2nccc(Nc3ccccc3)c2c2occc12
Clc1ccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)cc1
COc1cccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)c1
COc1ccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)cc1
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)c(F)c2)c(c1)C(F)(F)F
Fc1cccc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)c(F)c1
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)cc2F)c(c1)C(F)(F)F
Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)c(F)c1
Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)c(F)c2)c1F
c1cc(n[nH]1)-c1nc2ccccc2[nH]1
CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
O=C(NC1CCOCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Cn1nc(C(=O)NC2CC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)NCCO)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)NC2CCCC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c12
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2(C)C
CN1CCN(CC1)c1ccc(Nc2ncc3CC(C)(C)c4c(nn(C)c4-c3n2)C(N)=O)cc1
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCN(C)CC3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCOCC3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCOCC3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCN(C)CC4)cc3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCN(C)CC4)c3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCOCC4)cc3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCOCC4)c3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N(C)C)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N(C)C)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN(C)C)cc3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN(C)C)c3)nc-21
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)NC3CC3)n2)cc1
CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F
CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Cc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3O)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(O)c3)n2)cc1
Oc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3F)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(F)c3)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccc(F)cc3)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(Cl)c3)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4)cc3)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1
Cc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)cc3)n2)cc1
Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1
Fc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(O)cc3)n2)cc1
Oc1ccc(Nc2cc(Cl)nc(Nc3ccc(O)cc3)n2)cc1
Cc1cc(nc(n1)Nc2ccc(cc2)O)Nc3ccc(cc3)O
Cc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)c1C
Oc1ccc(Nc2ccnc(Nc3ccc(O)cc3)n2)cc1
Oc1ccc(Nc2ncc(Cl)c(Nc3ccc(O)cc3)n2)cc1
Oc1ccc(Nc2ncc(c(Nc3ccc(O)cc3)n2)C(F)(F)F)cc1
Oc1ccc(Nc2ncc(C#N)c(Nc3ccc(O)cc3)n2)cc1
Cc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
CCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
COc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
COc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
COc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Cc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
Cc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
Cc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
CN(C)C(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
CCCNC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
CC(C)NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3)n2)cc1
COc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
COc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1
COc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
Cc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Cc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C |r|
Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C |r|
Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3CCCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3OCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3OC(F)(F)Oc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3OCCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1OC |r|
CCCCN(C)c1nc(NCCc2ccccc2OC)nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)n1
CCCCN(C)c1nc(NCCc2c[nH]c3ncccc23)nc(NCCc2ccccc2OC)n1
COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(n1)N(C)[C@@H](C)c1ccccc1
COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(Nc2ccc3ncccc3c2)n1
COc1cc(Nc2nc(NCCc3ccccc3F)nc(Nc3ccc4ncccc4c3)n2)ccc1C
COc1ccc(Nc2nc(NC(Cc3c[nH]c4ncccc34)C(N)=O)nc(Nc3ccc4ncccc4c3)n2)cc1OC
CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1
CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C
CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
COC1CN(C)CCN1c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCC(O)CC3)nc12
CC1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)cc3)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4cccc(F)c4)cc3)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4cccc(Cl)c4)cc3)nc12
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C(F)(F)F
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)nc12
CN1CCN(CC1)C(=O)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1
CN1CCN(Cc2cccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C)c4n3)c2)CC1
CN1CCN(CC1)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1
CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(O)CC4)c(c3)C(F)(F)F)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)nc12
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C
COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)ccc1C(=O)N1CCN(O)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C)c4n3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C(C)C)c4n3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C5CCCC5)c4n3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5Oc4n3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5Sc4n3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5cccc(C)c5N(C)c4n3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5cccc(F)c5N(C)c4n3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccc(C)cc5N(C)c4n3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccc(F)cc5N(C)c4n3)cc2C(F)(F)F)CC1
CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O
c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O
OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cc3ccccc3)n2)cc1
c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br
c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
NOc1ccccc1Nc1nccc(Nc2ccccc2C(O)=O)n1
OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2C(O)=O)n1
COC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(=O)OC)n2)cc1
N(c1ccccc1)c1ccnc(Nc2ccccc2)n1
c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N
c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O
Cc1cnc(Nc2ccc(cc2)C(O)=O)nc1Nc1ccccc1C(O)=O
Cc1cc(Nc2ccccc2C(O)=O)nc(Nc2ccc(cc2)C(O)=O)n1
OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F
OC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3C(O)=O)n2)cc1
c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl
Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl
OC(=O)c1cccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)c1
OC(=O)c1cccc(Nc2ncc(F)c(Nc3ccccc3C(O)=O)n2)c1
OC(=O)c1ccc(Nc2nc(Cl)c(Cl)c(Nc3ccccc3C(O)=O)n2)cc1
OC(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(O)=O)n2)cc1
Nc1cnc(Nc2ccc(cc2)C(O)=O)nc1Nc1ccccc1C(O)=O
Nc1cc(Nc2ccccc2C(O)=O)nc(Nc2ccc(cc2)C(O)=O)n1
FC(F)(F)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
OC(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3Cl)n2)cc1
COc1ccccc1Nc1ccnc(Nc2ccc(cc2)C(O)=O)n1
COc1ccccc1Nc1ccnc(Nc2ccccc2)n1
N#Cc1ccccc1Nc1ccnc(Nc2ccccc2)n1
OC(=O)Cc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)c(O)c1
Fc1ccccc1Nc1ccnc(Nc2ccccc2)n1
OC(=O)c1ccc(Nc2nccc(Nc3ccccc3I)n2)cc1
OC(=O)c1ccccc1Nc1nccc(Nc2ccccc2Cl)n1
OC(=O)c1ccc(Nc2nccc(Nc3ccccc3-c3ccccc3)n2)cc1
CN(c1ccnc(Nc2ccc(cc2)C(O)=O)n1)c1ccccc1Cl
CCN(c1ccnc(Nc2ccc(cc2)C(O)=O)n1)c1ccccc1Cl
OC(=O)c1ccccc1Nc1nccc(Nc2ccccc2F)n1
Clc1ccccc1Nc1ccnc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)n1
CN(C)CCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
COCCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
CC(=O)Nc1cccc(Nc2nccc(Nc3ccccc3Cl)n2)c1
Clc1ccccc1Nc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1
COc1cc(Nc2nccc(Nc3ccccc3Cl)n2)ccc1C(O)=O
Clc1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
NC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
NS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1Cl
Fc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1ccccc1Cl
OCCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
Clc1ccccc1Nc1ccnc(Nc2ccc(cc2)-c2nnn[nH]2)n1
Fc1cnc(Nc2ccc(cc2)-c2nnn[nH]2)nc1Nc1ccccc1Cl
Oc1cc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)ccc1-c1nnn[nH]1
Clc1ccccc1Nc1nc(Nc2ccc(cc2)-c2nnn[nH]2)ncc1Cl
Cc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
Cc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
CCN(CC)CCCOc1ccc2c(Nc3ccc(C)c(Nc4ncc(cn4)-c4cccnc4)c3)ncnc2c1
Cc1ccc(Nc2ncnc3cc(OCCCN4CCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)ccc34)ccc12
CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCCC5)ccc34)ccc12
CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCC5)ccc34)ccc12
CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN(CC)CC)ccc34)ccc12
Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)|
CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)c2ccc(Nc3ncc4CN=C(c5cc(Cl)ccc5-c4n3)c3c(F)cccc3OC)cc2OC)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,c:9,54|
[#6]-[#6]-[#7]-1\[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\[#6]2=[#7+](-[#6]-[#6])-c3ccc(cc3C2([#6])[#6])S([#8-])(=O)=O)C([#6])([#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(-[#7]-c3ncc4-[#6]-[#7]=[#6](-c5cc(Cl)ccc5-c4n3)-c3c(F)cccc3-[#8]-[#6])cc2-[#8]-[#6])-[#6](-[#7])=O)c2cc(ccc-12)S([#8-])(=O)=O |c:9,132|
CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@]2(Cc3cccc(Nc4nccs4)n3)CCC(CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:42.43,38.40,wD:42.44,c:9,(-16.27,-52.94,;-14.86,-52.31,;-14.7,-50.78,;-15.85,-49.75,;-17.35,-50.07,;-18.44,-48.98,;-19.93,-49.38,;-21.02,-48.29,;-22.51,-48.69,;-23.6,-47.6,;-25.12,-47.84,;-25.82,-49.22,;-27.36,-49.22,;-25.82,-46.47,;-27.3,-46.07,;-27.7,-44.59,;-26.61,-43.5,;-25.13,-43.89,;-24.73,-45.38,;-23.36,-46.08,;-22.27,-44.99,;-21.87,-46.48,;-27.01,-42.01,;-27.41,-40.52,;-25.52,-41.61,;-28.5,-42.41,;-15.22,-48.34,;-15.22,-46.8,;-16.56,-47.57,;-16.56,-46.03,;-17.89,-45.26,;-17.89,-43.72,;-16.56,-42.95,;-19.22,-42.95,;-19.22,-41.41,;-20.56,-40.64,;-20.56,-39.1,;-21.89,-38.33,;-21.89,-36.79,;-23.22,-36.02,;-23.22,-34.48,;-21.89,-33.71,;-24.56,-33.71,;-24.56,-35.25,;-25.89,-36.02,;-25.89,-37.56,;-27.23,-38.34,;-28.56,-37.57,;-28.56,-36.03,;-29.89,-35.26,;-29.89,-33.72,;-31.14,-32.81,;-30.66,-31.35,;-29.12,-31.35,;-28.65,-32.81,;-27.22,-35.26,;-23.22,-32.94,;-23.22,-31.4,;-24.56,-30.63,;-25.89,-31.4,;-25.89,-32.94,;-24.56,-29.09,;-25.89,-28.32,;-27.22,-29.09,;-28.56,-28.32,;-28.56,-26.78,;-27.22,-26.01,;-27.22,-24.47,;-25.89,-26.78,;-24.56,-26.01,;-20.56,-36.02,;-19.22,-36.79,;-20.56,-34.48,;-13.69,-48.51,;-12.55,-47.48,;-11.08,-47.95,;-10.76,-49.46,;-11.91,-50.49,;-13.37,-50.01,;-9.94,-46.92,;-8.85,-45.83,;-11.03,-45.83,;-8.85,-48.01,)|
OC(=O)[C@]1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:3.3,(2.79,-10.07,;2.79,-8.53,;4.12,-7.76,;1.46,-7.76,;1.46,-9.3,;.12,-10.07,;.12,-11.61,;-1.21,-12.38,;-2.54,-11.61,;-2.54,-10.07,;-3.88,-9.3,;-3.88,-7.76,;-5.12,-6.85,;-4.65,-5.39,;-3.11,-5.39,;-2.63,-6.85,;-1.21,-9.3,;2.79,-6.99,;2.79,-5.45,;1.46,-4.68,;.12,-5.45,;.12,-6.99,;1.46,-3.14,;.12,-2.37,;-1.21,-3.14,;-2.54,-2.37,;-2.54,-.83,;-1.21,-.05,;-1.21,1.49,;.12,-.83,;1.46,-.06,)|
COc1ccccc1C(CNS(C)(=O)=O)Nc1ncnc2c(cccc12)C(N)=O
NCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
NCCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
Cc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
NC(=O)c1cccc2c(NC3CCCNC3)ncnc12
NC(=O)c1cccc2c(N[C@H]3CCCNC3)ncnc12 |r|
NC(=O)c1cccc2c(NC3CCNCC3)ncnc12
NC(=O)c1cccc2c(NCC3CCNCC3)ncnc12
NC(=O)c1cccc2c(N[C@H]3CCCNC3)c(cnc12)C(O)=O |r|
COc1cccc(c1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
NC(=O)c1cccc2c(N[C@H](CC#N)c3ccccc3)ncnc12 |r|
NC(=O)c1cccc2c(NCc3ccc(Br)cc3)ncnc12
COc1cc(CNc2cncc3c(cccc23)C(N)=O)cc(OC)c1
NC(=O)c1cccc2c(NCc3ccco3)ncnc12
NC(=O)c1cccc2c(NCc3cccs3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(Br)c3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(Oc4ccccc4)cc3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4F)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4Cl)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(Cl)c4)c3)ncnc12
COc1ccccc1NC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(F)c4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccc(F)cc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cc(F)cc(F)c3)ncnc12
CC(C)NC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CS(=O)(=O)c1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccccc3)c2c1
NC(=O)c1cccc2c(NCc3ccccc3Br)ncnc12
NC(=O)c1cc(NCc2ccccc2)cc2c(NCc3ccccc3)ncnc12
COc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)NC(=O)c4ccccc4)c3)ncnc12
CCNC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c3)ncnc12
NC(=O)c1cccc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r|
NC(=O)c1cccc2c(N[C@@H]3[C@H](O)Cc4ccccc34)ncnc12 |r|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc2ccccc12 |r|
NC(=O)c1cc(NCc2cccnc2)cc2c(NCc3ccccc3)ncnc12
NC(=O)c1cccc2c(N[C@@H](CO)c3ccccc3)ncnc12 |r|
NC(=O)c1cc(NCc2ncc[nH]2)cc2c(NCc3ccccc3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(c3)C(=O)Nc3ccccc3)ncnc12
NC(=O)c1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CNC(=O)c1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(N[C@H](C(O)=O)c3ccccc3)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H](CO)c3ccccc3)ncnc12 |r|
NC(=O)c1cccc2c(N[C@H]3CCCc4ccccc34)ncnc12 |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cccc(c4)C(F)(F)F)cc3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4C(F)(F)F)c3)ncnc12
Cc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
NC(=O)c1cc(N)cc2c(NCc3ccccc3)ncnc12
Cc1cc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c2c1
COC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
NC(=O)c1cccc2c(N[C@H](CN=[N+]=[N-])c3ccccc3)ncnc12 |r|
NCC1(CCN(CC1)c1ncnc2c(cccc12)C(N)=O)c1ccc(OC(F)(F)F)cc1
COc1cc(C(N)=O)c2ncnc(NCc3cccc(c3)C(F)(F)F)c2c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)N4CCOCC4)c3)ncnc12
COCCCNC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)NCCN4CCOCC4)c3)ncnc12
NC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)N4CCCCC4)c3)ncnc12
NC(=O)c1cccc2c(NCCNCc3ccccc3)ncnc12
COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
CN(C)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCOc5c4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Cc4ccccc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(SC(F)(F)F)cc4)c3)ncnc12
COc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(CN5CCOCC5)c4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)ncnc12
CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
COc1ccc(CC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)cc1
NC(=O)c1cccc2c(N[C@H](Cn3ccnn3)c3ccccc3)ncnc12 |r|
COc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(c3)C(F)(F)F)c2c1
COCCOc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(OCCN4CCOCC4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)nc4)c3)ncnc12
COc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)n4)c3)ncnc12
COc1cc(C(N)=O)c2ncnc(N[C@H](C)c3ccccc3)c2c1 |r|
COc1ccc(OC)c(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)CCOc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(OCCN(CCO)CCO)c3)ncnc12
CCOC(=O)N1CCN(CCOc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)CC1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(Cl)c4)c3)ncnc12
COc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(Cl)c3)c2c1
COc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
NC(=O)c1cc(OCc2ccccc2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
CN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)c1cccc(n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cc(O)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
NC(CNc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(c1)C(F)(F)F
NC(=O)c1cc(OCCN2CCOCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
CN(C)CCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
COCCN(C)CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
NC(=O)c1cc(OCCCN2CCN(CCO)CC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
NC(=O)c1cc(OCCCN2CCOCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
CN(CCO)CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
NC(=O)c1cc(OCCCN2CCC(O)C2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
NC(=O)c1cc(OCCCN2CCC[C@H]2CO)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12 |r|
COC[C@@H]1CCCN1CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1 |r|
CN1CCN(CCCOc2cc(C(N)=O)c3ncnc(NCc4ccc(cc4)C(F)(F)F)c3c2)CC1
NC(=O)c1cc(OCCCN2CCCCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
NC(=O)c1cc(OCCCNCCO)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
NC(=O)c1cccc2c(NCC(O)c3ccccc3)ncnc12
COCCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
COc1ccccc1C(CN)Nc1ncnc2c(cccc12)C(N)=O
COc1ccccc1C(CNC(C)=O)Nc1ncnc2c(cccc12)C(N)=O
COc1ccc(cc1OC)C(CN)Nc1ncnc2c(cccc12)C(N)=O
NC(=O)c1cccc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc12
NC(=O)c1cccc2c(NCc3ccccc3)ncnc12
NC(=O)c1cccc2c(Nc3cccc(c3)C#C)ncnc12
NC(=O)c1cccc2c(Nc3cccc(Br)c3)ncnc12
NC(=O)c1cccc2c(Nc3ccc(F)c(Cl)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
COc1ccc(CCNc2ncnc3c(cccc23)C(N)=O)cc1
NC(=O)c1cccc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12
COc1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
NC(=O)c1cccc2c(NCc3cccc4ccccc34)ncnc12
C[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
NC(=O)c1cccc2c(NCc3ccc(F)cc3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
Cc1ccccc1CNc1ncnc2c(cccc12)C(N)=O
NC(=O)c1cccc2c(ncnc12)N1CCOCC1
COc1ccccc1CNc1ncnc2c(cccc12)C(N)=O
NC(=O)c1cccc2c(NC3CCc4ccccc34)ncnc12
NC(=O)c1cccc2c(NCC3CCCO3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(F)cc3F)ncnc12
NC(=O)c1cccc2c(NCc3ccccc3Cl)ncnc12
NC(=O)c1cccc2c(NCc3ccccn3)ncnc12
NC(=O)c1cccc2c(NCc3ccccc3C(F)(F)F)ncnc12
NC(=O)c1cccc2c(NCc3ccc4OCOc4c3)ncnc12
COc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
Cc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3ccccc3F)ncnc12
CC(C)(C)OC(=O)Nc1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
NC(=O)c1cccc2c(NCc3ccc(O)cc3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(N)cc3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(N)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(O)c3)ncnc12
CC(C)(C)OC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cccc2c(NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)ncnc12
NC(=O)c1cccc2c(NCc3ccc4OCOc4c3)ccnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NS(=O)(=O)c4ccccc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc12
NC(=O)c1cc(cc2c(NCc3cccc(c3)C(F)(F)F)ncnc12)N(=O)=O
NC(=O)c1cc(N)cc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12)N(=O)=O
NC(=O)c1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
NC(=O)c1cccc2c(NCc3ccc4OCCc4c3)ncnc12
NC(=O)c1cccc2c(NCc3ccc4occc4c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(c3)C(F)(F)F)ccnc12
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
NC(=O)c1cc(N)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(c3)C(F)(F)F)c2c1
NC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(NC(=O)Nc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(NC(=O)c2ccncc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(NC(=O)CCc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(NCc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(NC(=O)c2ccno2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(NC(=O)c2ccc(cc2)S(F)(=O)=O)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(NC(=O)c2cnc3ccccc3n2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cc(NC(=O)Cc2cccs2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
NC(=O)c1cccc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc12
CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1ccccc1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(cc1)C(F)(F)F
CNC[C@H](N=C1NC=NC2C=CCC=C12)c1ccccc1 |r,w:5.5,c:7,10,t:13|
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1 |r|
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(F)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2F)c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCC2)c1
CNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(F)c1 |r|
CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(Cl)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCCC2)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(Cl)c2)c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Br)c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N(C)C)c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncc(c2)N2CCCC2)c1
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
CNCC(Nc1ncnc2c(ccc(OC)c12)C(N)=O)c1ccccc1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(OC)cc1
CNCC(Nc1ccccc(cncn1)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccc(Cl)cc3)c2c1
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2F)c1
CC1CCCN1c1cc(ccn1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
CCN(CC)C1CCN(C1)c1cc(ccn1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2=C(CCC=c12)C(N)=O |t:30,34|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1 |r|
CCNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1ccccc1 |r|
COc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3cccc(F)c3)c2c1 |r|
CCNC[C@@H](Nc1ncnc2=C(CCC=c12)C(N)=O)c1cccc(F)c1 |r,t:10,14|
CN(CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)CC=C
COc1ccc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
CN(CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)(C)C
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
CN(C)C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(C)C(F)=C2)c1 |c:32,t:26|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12
CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)nc2)c1
CNCC(Nc1ncnc2=C(CCC=c12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1 |t:9,13|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1 |r|
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
COCCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2ccc(F)cc2F)=C1 |c:37,t:21|
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=O
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(c4)N4CCCC4)c3)ncnc12
CN(C)CC(Nc1ncnc2c(cc(OCC3CC3)cc12)C(N)=O)c1cccc(F)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1 |r|
CNCC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1cccc(Cl)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1 |r|
CN(CCO)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1 |r|
COc1cc(ccn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(Br)C=C2)c1 |c:31,t:26|
CN(CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1)C(=O)OC(C)(C)C
COc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1 |r|
CCOc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
CCNC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1
COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
NCC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(F)cc1
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
COc1ccc(C(=O)Nc2cccc(c2)C(CN(C)C(=O)OC(C)(C)C)Nc2ncnc3c(cccc23)C(N)=O)c(F)c1
NCC(Cc1ccccc1)Nc1ncnc2c(cccc12)C(N)=O
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
COc1ccc(cn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
CNCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=O
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C#N)c(F)c2)c1
CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
CN(CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1)C(=O)OC(C)(C)C
CCNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(F)c1 |r|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2sc(C)nc2C)c1 |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cccc(F)c2F)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(Cl)N=C2)c1 |c:31,t:26|
NC[C@H](Cc1ccccc1)Nc1ncnc2c(cccc12)C(N)=O |r|
CNCC(Nc1ncnc2c(cc(O)cc12)C(N)=O)c1ccccc1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cnc(C)s2)c1 |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)F)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
COc1ccc(COc2cc(C(N)=O)c3ncnc(NC(CN(C)C)c4cccc(F)c4)c3c2)cc1
CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2cccc(F)c2F)=C1 |c:38,t:22|
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(Br)cc4)c3)ncnc12
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(N)c1
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1 |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CC(F)C(Cl)C=C4)c3)ncnc12 |c:25,t:19|
COCCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2cc(F)ccc2F)=C1 |c:37,t:21|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cccc(F)c2)c1
CN(C)CC(Nc1ncnc2c(cc(OC3CCC3)cc12)C(N)=O)c1cccc(F)c1
CN(C)CC(Nc1ncnc2c(cc(O)cc12)C(N)=O)c1cccc(Cl)c1
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN(C)CC=C)Nc1ncnc2c(cccc12)C(N)=O
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 |r|
NC(=O)c1cccc2c(NC(CCN3CCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCCOc3c2)c1
CN(CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1)C(=O)OC(C)(C)C
CN(C)CC(Nc1ncnc2c(cc(O)cc12)C(N)=O)c1cccc(F)c1
NC(=O)c1ccccc(N[C@H](CNCCS)c2ccccc2)ncnc1 |r|
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O
NC(=O)c1cccc2c(NCc3cccc(NC(O)c4cc(ccc4F)C(F)(F)F)c3)ncnc12
CC(C)N(C)C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
COCCOc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccc(F)cc3)c2c1
CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(c4)N4CCOCC4)c3)ncnc12
COCCNC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C#N)c1 |r|
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
CN(CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1)CC=C
CN(CCO)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccoc2C)c1
NC(=O)C1=c2ncnc(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)c2=CCC1 |c:3,38|
COc1ccc(C(=O)NC2=CC(=CCC2)C(CCN(C)C)Nc2ncnc3c(cccc23)C(N)=O)c(F)c1 |c:11,t:9|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2ccccc2F)=C1 |c:37,t:22|
CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
NC(=O)c1cccc2c(NC(CCO)C3=CCCC(NC(=O)c4ccccc4)=C3)ncnc12 |c:28,t:14|
CCN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cnc(C)cn2)c1
CNCC(Nc1ncnc2c(cc(OCCN(C)C)cc12)C(N)=O)c1cccc(F)c1
COc1ccc(cc1F)C(=O)Nc1cc(ccc1F)[C@@H](C)Nc1nccc2c(cccc12)C(N)=O |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCOCC4)c3)ncnc12
NC(=O)c1cccc2c(NCC3=CC(Cl)=CCC3)ncnc12 |c:14,t:11|
COCCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2ccccc2F)=C1 |c:36,t:21|
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=O
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OCCCO)c4)c3)ncnc12
COCCN(C)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)CCOc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CC(C)NC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
COc1ncc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCCc5c4)c3)ncnc12
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2c(F)cccc2F)=C1 |c:38,t:22|
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
CCn1nc(cc1C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O)C(F)(F)F
CNCC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1ccccc1
NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12 |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OCCO)c4)c3)ncnc12
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2F)c1
COc1ccc(cc1C)C(O)N=C1CC(CNc2ncnc3c(cccc23)C(N)=O)CC=C1 |w:11.11,c:34|
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C2CC2)c1
CCCN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12
CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NCc2ccc(Br)cc2)c1
NC(=O)c1cccc2c(NCc3ccc(F)c(F)c3)ncnc12
COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=C
COc1cc(ccn1)C(=O)NC1=CCCC(=C1)C(C)Nc1ncnc2c(cccc12)C(N)=O |c:16,t:12|
COc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 |r|
FC1CC=CC(F)=C1C(=O)Nc1cccc(c1)C(CCN1CCCC1)NC1=NC=NC=CCCC=C1 |w:28.30,30.32,26.38,34.36,c:3,6|
CN1CCN(CC1)c1ccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)cc1
NC(=O)c1cccc2c(ncnc12)N1CCc2ccc(cc2C1)[N+]([O-])=O
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cccn2C)c1
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
COc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NC(CCO)c3cccc(c3)[N+]([O-])=O)ncnc12
COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
COc1ccc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c12
COCCCOC1CC=CC(=C1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 |c:8,10|
CNCCOc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)CCNC(=O)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)c3)ncnc12
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN(C)C(=O)OC(C)(C)C)Nc1ncnc2c(cccc12)C(N)=O
Cn1cnc2c(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)nccc12
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(F)ccc2F)c1
CC(C)Oc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
COc1ccc(cc1F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
NC(=O)c1cccc2c(NCc3cccc(F)c3F)ncnc12
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccoc2)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCCC4)c3)ncnc12
CC(NC1=NC=NC2C(=CCC=C12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)N2CCOCC2)c1 |c:5,8,t:3,11|
NC(=O)c1cccc2c(NCC3CC(NC=O)=CC=C3)ncnc12 |c:16,18|
NC(=O)c1cc(O)cc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cc(F)cc(Cl)c3)ncnc12
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(O)c2cc(n[nH]2)C2CC2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc[n+]([O-])cc2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(C)oc2C(F)(F)F)c1
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN(C)C)Nc1ncnc2c(cccc12)C(N)=O
COCCN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=C[NH+]([O-])CC=C2)c1 |c:31,t:26|
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
CCOc1cc(ccn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
CS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CCN(C[C@@H](Nc1ccccc(cncn1)C(N)=O)C1CC=CC=C1)C(C)C |r,c:22,24|
CN(C)CCOc1ccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)cc1
NC(=O)c1cccc2c(NC(Cn3ccnc3)c3ccccc3)ncnc12
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(c(F)c2)C(F)(F)F)c1 |r|
CCn1nc(cc1C)C(=O)Nc1ccccc1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CCCC2)c1 |r|
CCOC(=O)c1ccc(cn1)C(=O)NC1=CCCC(=C1)[C@H](C)Nc1ncnc2c(cccc12)C(N)=O |r,c:19,t:15|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncnc2)c1 |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2nncc3c(cccc23)C(N)=O)c1
CC(C)CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 |r|
COC1=CC=CCC1C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O |c:4,t:2|
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C[C@@H](Nc1ncnc2=C(CCC=c12)C(N)=O)c1ccccc1)C1CC1 |r,t:9,13|
COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(CN(C)C(=O)OC(C)(C)C)Nc1ncnc2c(cccc12)C(N)=O
CC(C)c1csc(n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(CCN(C)C)Nc1ncnc2c(cccc12)C(N)=O
CN(CCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CC(=CCC1)[N+]([O-])=O)CC=C |c:23,t:21|
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)cc3)ncnc12
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
CNC[C@H](Cc1ccccc1)Nc1ncnc2c(cccc12)C(N)=O |r|
COc1ccc(C(N)=O)c2ncnc(NCc3ccccc3)c12
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4csc(N)n4)c3)ncnc12
CN(C)CC(Nc1ncnc2c(cc(OCc3ccc(F)cc3)cc12)C(N)=O)c1cccc(F)c1
CNCC(Nc1ncnc2c(cc(OCCCN(C)C)cc12)C(N)=O)c1ccccc1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c[nH]c5ccccc45)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(CN5CCCC5)cc4)c3)ncnc12
CC(Nc1ncnc2c(cc(F)cc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12 |r|
COc1ccc(cc1F)C(=O)Nc1cccc(CNc2ccnc3c(cccc23)C(N)=O)c1
COCCNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccccc3OC)c2c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(OCCN5CCOCC5)c4)c3)ncnc12
CN1CCN(CCOc2cccc(NC(=O)Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)c2)CC1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)N2CCC(F)(F)C2)c1 |r|
COCCNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCOCC4)c3)ncnc12
CC(C)CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)C1=c2ncnc(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccccc4)c3)c2=CCC1 |c:3,37|
COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C(F)(F)F)c1
CC(C)OC(=O)N(C)CC(Nc1ncnc2=C(CCC=c12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 |t:15,19|
NC(=O)c1cccc2c(NC(CO)c3cccc(NC(O)c4ccc(Br)cc4)c3)ncnc12
NCCOc1ccc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c12
NC(=O)c1cccc2c(NCc3cc(F)c(F)c(F)c3)ncnc12
COc1ccc(cc1F)C(=O)NC1=CCCC(=C1)[C@H](C)Nc1ncnc2c(cccc12)C(N)=O |r,c:17,t:13|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1 |r|
NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(O)c4cc(n[nH]4)C4CC4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C(F)(F)F)c3)ncnc12
CCOC(=O)c1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCCO)Nc1ncnc2c(cccc12)C(N)=O
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5cc[nH]c5c4)c3)ncnc12
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
NC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cn[nH]c4N)c3)ncnc12
COCC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 |r|
NCc1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1
NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C#N)c3)ncnc12
COc1ccc(cc1)C(O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1F
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4[nH]nc5CCCCc45)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc5cc[nH]c45)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4)-c4ncc[nH]4)c3)ncnc12
Cc1cc(ccc1N1CCOCC1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CNCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(O)c2cc(n[nH]2)C2CC2)c1
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc5cc(Cl)ccc5[nH]4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3)ncnc12
NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(=O)C4CC4(F)F)c3)ncnc12
COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCCOc5c4)c3)ncnc12
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Cn1ccc2cc(ccc12)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CO)cc23)C(N)=O)c1
CCOC(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc5[nH]ccc45)c3)ncnc12
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(C)C)c1 |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(CO)cc4)c3)ncnc12
Cc1ccnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
CC(Nc1ncnc2c(cc(Cl)cc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2(CC2)C(F)(F)F)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cnc(cn2)C(F)(F)F)c1 |r|
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(CC#N)cn4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)ncnc12
CCC(C)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(cc23)C(O)CO)C(N)=O)c1
NC(=O)c1cccc2c(NC(CCN3CCNCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
CN1CCN(CCC(Nc2ncnc3c(cccc23)C(N)=O)c2cccc(NC(=O)c3cc(n[nH]3)C3CC3)c2)CC1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3)ncnc12
CCOC(=O)c1coc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)n1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4)N4CCCCC4=O)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(cn4)C4CCNCC4)c3)ncnc12
CC(Nc1ncnc2c(cccc12)C(N)=O)C1=CC(NC(=O)C2(CCC2)C(F)(F)F)=CCC1 |c:32,t:18|
Cc1nc(no1)-c1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)N4CCOCC4)c3)ncnc12
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2ccc(cn2)C(F)(F)F)c1 |r|
CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)Oc2ccccc2)c1 |r|
Cn1cc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c2ccccc12
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2ncc(cc2Cl)C(F)(F)F)c1 |r|
NC(=O)c1cccc2c(NCc3cccc(Nc4cc(CC#N)ccn4)c3)ncnc12
COc1ccc2nc(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)sc2c1
NC(=O)c1cccc2c(NCc3cccc(Nc4nc5ccccc5s4)c3)ncnc12
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)C4CC4(F)F)c3)ncnc12
CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
CC(CC(F)(F)F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)CC(F)(F)F)c1
Cc1ccc2ccnc(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)c2c1
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(cn4)C(F)(F)F)c3)ncnc12
NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4ccc(cc4)C(F)(F)F)c3)ncnc12
NC(=O)c1cccc2c(NCC3CC=CC(C3)=NC(O)c3c[nH]c4ncccc34)ncnc12 |w:17.18,c:13|
CCN1CCC(C1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
NC(=O)c1cccc2c(NCC3CC=CC(NC(=O)c4ccncc4)=C3)ncnc12 |c:13,25|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2ccc(CN3CCOCC3)cn2)c1 |r|
COCCOc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)CCCOC1CC=C(C=C1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 |c:9,11|
NC(=O)c1cccc2c(NCc3cccc(Nc4ncnc5nc[nH]c45)c3)ncnc12
CCN(CC)CCNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(O)c4ccc(OC)cc4)c3)c2c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)c3)ncnc12 |r|
COCCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(N)cn4)c3)ncnc12
Cc1nc2ccnc(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)c2[nH]1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cnn5CCNCc45)c3)ncnc12
COc1ccc(cc1)C(=O)Nc1ccc(C)c(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(Nc4ncccn4)c3)ncnc12
NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4cccnc4)c3)ncnc12
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(Nc4ccccn4)c3)ncnc12
Cc1cc(nn1CC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1)C(F)(F)F
COc1ccc(cc1)C(=O)Nc1ccc2CCN(Cc2c1)c1ncnc2c(cccc12)C(N)=O
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4n[nH]c5ccc(Cl)cc45)c3)ncnc12
CC(N)c1cccc(NC(=O)c2ccoc2CN2CCOCC2)c1
COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CN4CCOCC4)cc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(c3)-n3c(=O)[nH]c4ccccc4c3=O)ncnc12
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(Nc4ccccn4)c3)ncnc12
CC(C)N1CCC(CC1)C(=O)Nc1cccc(CNC2=NC=NC3C(=CCC=C23)C(N)=O)c1 |c:22,25,t:20,28|
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc5ccccc5n4)c3)ncnc12
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CNC(=O)C2)c1
COc1ccc(cc1)C(=O)Nc1cccc(CNc2c(cnc3c(cccc23)C(N)=O)C(N)=O)c1
NC(=O)c1cccc2c(Nc3cccc(CNC(=O)C4CCCNC4)c3)ncnc12
CCN(CC)CCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)CCCOC1=CC(=CCC1)C(=O)N\C=C\C(CNc1ncnc2c(cccc12)C(N)=O)CC=C |c:9,t:7|
CCN(CC)CCOC1CC=C(C=C1)C(O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 |c:10,12|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4n[nH]c5ccc(Br)cc45)c3)ncnc12
COC1CC=C(C=C1)C(=O)Nc1cccc(CNc2ncnc3=C(CC(CN4CCN(C)CC4)C=c23)C(N)=O)c1 |c:4,6,t:23,36|
COc1ccc(cc1)C(=O)NCc1cccc(Nc2ncnc3c(cc(O)cc23)C(N)=O)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)-n2cccc2)c1 |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(C)ccn2)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccc(F)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 |r|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2nc(cs2)C(C)(C)C)c1 |r|
CC(C)c1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CNc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CCN(CC)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Cc1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CN(C)c1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3=C(CCC=c23)C(N)=O)c1 |t:24,28|
Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12
COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CCCCO)cc23)C(N)=O)c1
CCOc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCCC4)c3)ncnc12
CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OC(F)(F)Oc5c4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)C(F)(F)F)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Br)c4)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12
COc1ccc(cc1)C(=O)Nc1cccc(CN(C)c2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCNC4)c3)ncnc12
CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CCC(C=C4)N4CCOCC4)c3)ncnc12 |c:23,t:19|
COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
COc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
CC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4)C#N)c3)ncnc12
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)ncnc12
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4OCCO)c3)ncnc12
COc1ccc(cc1)C(=O)Nc1ccc(F)c(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
COc1ccc(cc1)C(=O)Nc1cc(CNc2ncnc3c(cccc23)C(N)=O)ccc1C
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C#N)c3)ncnc12
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)CC1
COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(F)cc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)c3)ncnc12
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
COCC[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 |r|
NC(=O)c1cccc2c(NCc3cccc(Nc4nc5ccc(cc5[nH]4)C(F)(F)F)c3)ncnc12
NC(=O)c1cccc2c(NCC3CC=CC(C3)=NC(O)c3ccn[nH]3)ncnc12 |w:17.18,c:13|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12
COc1cccc(OC)c1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4F)c3)ncnc12
CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4cc(ccc4F)C(F)(F)F)c3)ncnc12
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(N)c1 |r|
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)c(F)c2)c1 |r|
CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(O)c4ccccc4)c3)ncnc12
NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCC1)Nc1ncnc2c(cccc12)C(N)=O
COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(F)cc12)C(N)=O
COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@H](CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O |r|
COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)NC1=NC=NC2C(=CC(Cl)C=C12)C(N)=O |c:25,28,t:23,32|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCCCC4)c3)ncnc12
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O
COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@H](CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O |r|
CN(C)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)c2c1
COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(OCCCN(C)C)cc23)C(N)=O)c1
NC(=O)c1cc(OCCN2CCOCC2)cc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
CC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)C1=CC(NC(=O)c2ccc(OC)c(F)c2)=CCC1 |r,c:34,t:19|
COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(C)cc12)C(N)=O
CC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1cccc(NC(=O)OC(C)(C)C)c1
NC(=O)c1cc(OCc2ccccc2)cc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1 |r|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cc(Cl)cc4F)c3)ncnc12
COc1cc(F)c(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(F)c1
COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(O)cc23)C(N)=O)c1
NC(=O)C1=c2ncnc(NCc3cccc(NC(=O)c4ccc(cc4)C(F)(F)F)c3)c2=CCC1 |c:3,33|
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12
COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(cc12)C#N)C(N)=O
CC(C)n1cc(cn1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
NC(=O)C1CC=C(C=C1)c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r,c:5,7|
NC(=O)c1cccc(c1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
COc1ccc(cc1)C(=O)N(C)c1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
NC(=O)c1cccc2c(NC(CCN3CCOCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1
COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1
COc1cc(Nc2ncc3CN=C(c4c(F)cccc4OC)c4c(Cl)cccc4-c3n2)ccc1C(O)=O |t:11|
CCc1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
CCc1[nH]cc2[C@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
O=C1CCCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:5|
O=C1CNCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:5|
CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
CCc1[nH]cc2C(C3=C(CNCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
CC1(C)CC(=O)C2=C(C1)Nc1n[nH]cc1C2c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:6|
CCOC(=O)c1[nH]cc2[C@@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |r,t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(OC)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1c(F)ccc2[nH]ccc12
Cc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(F)c2[nH]ccc12
CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(Cl)c2[nH]ccc12
COc1ccc(-c2nc(C(N)=O)c(o2)-c2ccc(cc2)N2CCNC(C)(C)C2)c2cc[nH]c12
Cc1cc(C)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
Cc1cc(F)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(o3)-c3ccc(cc3)N3CCNC(C)(C)C3)c12
CCc1ccc(-c2nc(C(N)=O)c(o2)-c2ccc(cc2)N2CCNC(C)(C)C2)c2cc[nH]c12
CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1cccc2[nH]ccc12
CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(c2[nH]ccc12)C(F)(F)F
NC(=O)c1ccccc1Nc1nccc(Nc2ccccc2C(O)=O)n1
NC(=O)c1ccccc1Nc1nccc(Nc2ccccc2)n1
OC(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3OC(F)(F)F)n2)cc1
OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1O
OC(=O)c1cccc(Nc2nccc(Nc3ccccc3Cl)n2)c1
NC(O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
OC(=O)c1cccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)c1
CC(=O)Nc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
OC(=O)c1ccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)cc1
c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F
CC(C(N)=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(c3)C(F)(F)F)n2)c1
OC(=O)c1ccccc1Nc1nccc(Nc2cccc(c2)C(F)(F)F)n1
NC(=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
NC(=O)Cc1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
OC(=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
NC(=O)CCc1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
NC(=O)C1CC1c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
NC(=O)CCCCc1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
NC(O)C1CCC(C1)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
CC(CC(N)=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(c3)C(=O)Nc3ccc(Cl)cc3)n2)c1
FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(c3)C(=O)Nc3ccccc3)n2)c1
CN(C)c1cc(Nc2ccccc2)nc(Nc2ccccc2)n1
CN(C)c1cc(Nc2ccccc2C(O)=O)nc(Nc2ccccc2)n1
CCOC(=O)c1ccc(Nc2ncc(N)c(Nc3ccccc3C(O)=O)n2)cc1
NCCCCc1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
FC(F)(F)c1cccc(Nc2ccnc(Nc3ccccc3)n2)c1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
Cn1cc(cn1)-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ncon4)CC3)c(Cl)cnc2[nH]1
Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2cn[nH]c2c1 |r|
COc1ccc2NC(=O)C3(CC3c3ccc4c(I)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(I)n[nH]c4c3)c2c1 |r|
Ic1n[nH]c2cc(ccc12)C1C[C@@]11C(=O)Nc2ccccc12 |r|
Ic1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccccc12 |r|
Ic1n[nH]c2cc(ccc12)[C@H]1C[C@]11C(=O)Nc2ccccc12 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@]3(C[C@@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccccc12 |r|
CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(Br)cc12 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCOCC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCNCC3)c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@H]2C[C@]22C(=O)Nc3ccccc23)cc1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
Brc1cnc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccnc3)n[nH]c2c1 |r|
O=C1Nc2ccccc2[C@@]11C[C@@H]1c1ccc2c(\C=C\c3cccnc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@]3(C[C@@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccnc(c3)N3CCN(C)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|
Fc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(I)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(CO)c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(CN4CCCCC4)c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(CO)cc3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(c3)N3CCNCC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCNCC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCNCC3)c2c1 |r|
COc1ccc2NC(=O)[C@]3(C[C@@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCNCC3)c2c1 |r|
COc1ccc2NC(=O)C3(CC3c3ccc4c(n[nH]c4c3)C#Cc3cccnc3)c2c1
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(cc3)C#N)n[nH]c2c1 |r|
O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)cc3)n[nH]c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)cc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)cc5)n[nH]c4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3ccc(CN4CCCC4)cc3)n[nH]c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCC4)cc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)nc5)n[nH]c4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)nc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc6CCN(C)Cc6c5)n[nH]c4c3)c2c1 |r|
CN1CCc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2C1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc6CCNCc6c5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(OCCN4CCCCC4)cc3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(OCCN4CCOCC4)cc3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(OCCN(C)C)cc3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc4CCN(C)Cc4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc4CCNCc4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCOCC4)cc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCOCC6)cc5)n[nH]c4c3)c2c1 |r|
CN1CCc2cc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)ccc2C1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc6CN(C)CCc6c5)n[nH]c4c3)c2c1 |r|
CN1CCc2cc(ccc2C1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccccc12 |r|
CN1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(OC6CCN(C)CC6)cc5)n[nH]c4c3)c2c1 |r|
CC(C)(N1CCOCC1)c1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
CN1CCC(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CC6CCN(C)CC6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCC6)cc5)n[nH]c4c3)c2c1 |r|
CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(N)cc12 |r|
CN1C(=O)[C@@]2(CC2c2ccc3c(\C=C\c4ccc(CN5CCOCC5)cc4)n[nH]c3c2)c2ccccc12 |r|
CN1C(=O)[C@@]2(CC2c2ccc3c(\C=C\c4ccc(cc4)N4CCNCC4)n[nH]c3c2)c2ccccc12 |r|
CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(cc4)N4CCNCC4)n[nH]c3c2)c2ccccc12 |r|
O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3ccc(cc3)N3CCNCC3)n[nH]c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(cc3)N3CCNCC3)n[nH]c2c1 |r|
CN1C(=O)[C@@]2(CC2c2ccc3c(n[nH]c3c2)-c2ccc(nc2)N2CCN(C)CC2)c2ccccc12 |r|
CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(CN5CCCCC5)cc4)n[nH]c3c2)c2ccccc12 |r|
CN1C(=O)[C@@]2(CC2c2ccc3c(\C=C\c4ccc(CN5CCCCC5)cc4)n[nH]c3c2)c2ccccc12 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CC3)C(C)C)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CC3)C(C)C)c2c1 |r|
CCN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)C1C[C@@]11C(=O)Nc2ccc(OC)cc12 |r|
CCN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12 |r|
COc1ccc2N(C)C(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|
COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCNCC3)c2c1 |r|
COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(OCCN(C)C)cc3)c2c1 |r|
COc1ccc2N(C)C(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)s5)n[nH]c4c3)c2c1 |r|
F[C@@H]1CCN(Cc2ccc(\C=C\C3NNc4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc4nccn4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(OCCn4ccnc4)cc3)c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)N(C)c3ccccc23)cc1 |r|
CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CC[C@@H](F)C6)cc5)n[nH]c4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc4OCCNCc4c3)n[nH]c2c1 |r|
CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(CN5CCCC5)cc4)n[nH]c3c2)c2ccccc12 |r|
Fc1cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc(F)c1CN1CCOCC1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCC(O)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCC(CC3)N(C)C)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCC(CC3)N(C)C)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCC(CC3)N3CCOCC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)C3CCNCC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)C3CCN(C)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CC[C@H](C3)N(C)C)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N(C)CCN(C)C)c2c1 |r|
NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccccc12 |r|
COCCN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc12 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3cccc(CN4CCOCC4)c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)C#Cc3ccc(C=O)cc3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)C#Cc3ccc(CN4CCOCC4)cc3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(CN4CCOCC4)cc3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(CN4CCN(C)CC4)cc3)c2c1 |r|
CCc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3cccc(CN4CCOCC4)c3)c2c1 |r|
CCc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)C#Cc3ccc(CN4CCN(C)CC4)cc3)c2c1 |r|
CCN(CC)Cc1c(F)cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1F |r|
CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)C(=O)N3CCN(C)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1 |r|
Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cn1 |r|
O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
O=C1Nc2ccccc2[C@]11CC1c1ccc2c(n[nH]c2c1)-c1ccc(CN2CCOCC2)cc1 |r|
CN1CCN(Cc2ccc(cc2)-c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)CC1 |r|
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccccc12 |r|
CN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cn1 |r|
Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)c(C)n1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(CCN4CCOCC4)cc3)c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)N(CC(N)=O)c3ccccc23)cc1 |r|
Cc1cc(\C=C\c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)Nc3ccccc23)ccn1 |r|
CN(C)Cc1cccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)c1 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(nc5)N5CCNCC5)n[nH]c4c3)c2c1 |r|
CN(C)Cc1cccc(\C=C\c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)N(CC(N)=O)c3ccccc23)c1 |r|
NC(=O)CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(CN5CCCCC5)cc4)n[nH]c3c2)c2ccccc12 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(CN(C)C)cc3)c2c1 |r|
CCc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|
COc1cc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2cc1OC |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)Nc3ccc(C)cc23)cc1 |r|
CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)C1C[C@@]11C(=O)Nc2ccc(C)cc12 |r|
COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(cc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|
CC(C)CCN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc12 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)C(=O)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5csc(CN(C)C)c5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)N5CCNCC5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5csc(CN6CCOCC6)c5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
CCN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)N5CCN(CC5)C(C)C)n[nH]c4c3)c2c1 |r|
CCN1Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccc(OC)cc34)cc2C1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CCO)CC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CC3)C3CCCC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CC3)C3CCCCC3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(OCCN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
Cc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
Cc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1 |r|
C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)O1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r|
Fc1cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)ccc1CN1CCOCC1 |r|
C[C@H]1CCC[C@@H](C)N1Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3csc(CN4CCOCC4)c3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6[C@@H](C)CCC[C@H]6C)cc5)n[nH]c4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(OCCN4CCOCC4)cc3)n[nH]c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CCN4CCCOC4)cc3)n[nH]c2c1 |r|
CCN(CC)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1 |r|
Fc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(nc5)N5CCOCC5)n[nH]c4c3)c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(F)cc23)cc1 |r|
CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC(F)F)cc12 |r|
CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(F)cc12 |r|
CCN(CC)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(nc5)N5CCOCC5)n[nH]c4c3)c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC(F)F)cc23)cc1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN(C)C)c(F)c5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r|
Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
CCN(CC)Cc1c(F)cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1F |r|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:23.25,wD:20.21,(-.77,3.78,;-2.1,3.01,;-3.44,3.78,;-4.77,3.01,;-6.24,3.49,;-7.14,2.24,;-6.24,1,;-4.77,1.47,;-3.44,.7,;-2.1,1.47,;-.77,.7,;.56,1.47,;.56,3.01,;1.9,3.78,;3.23,3.01,;4.7,3.49,;5.17,4.95,;5.6,2.24,;7.14,2.24,;4.7,1,;5.09,-.49,;4.01,-1.58,;4.4,-3.07,;5.89,-3.47,;6.29,-4.95,;6.98,-2.38,;6.58,-.89,;3.23,1.47,;1.9,.7,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.21,23.25,(-.77,3.78,;-2.1,3.01,;-3.44,3.78,;-4.77,3.01,;-6.24,3.49,;-7.14,2.24,;-6.24,1,;-4.77,1.47,;-3.44,.7,;-2.1,1.47,;-.77,.7,;.56,1.47,;.56,3.01,;1.9,3.78,;3.23,3.01,;4.7,3.49,;5.17,4.95,;5.6,2.24,;7.14,2.24,;4.7,1,;5.09,-.49,;4.01,-1.58,;4.4,-3.07,;5.89,-3.47,;6.29,-4.95,;6.98,-2.38,;6.58,-.89,;3.23,1.47,;1.9,.7,)|
Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5
Cc1nc2cc(C)c(Nc3ncc4n(C)c(=O)n(C5CCOCC5)c4n3)cn2n1
CO[C@H]1CC[C@H](CC1)n1c2nc(Nc3cn4ncnc4cc3C)ncc2n(C)c1=O |r,wU:5.8,2.1,(7.49,-4.96,;5.95,-4.96,;5.55,-3.48,;4.06,-3.08,;3.66,-1.59,;4.75,-.5,;6.24,-.9,;6.64,-2.39,;4.35,.99,;2.89,1.46,;1.55,.69,;.22,1.46,;-1.11,.69,;-2.45,1.46,;-3.78,.69,;-5.12,1.46,;-6.58,.99,;-7.49,2.23,;-6.58,3.48,;-5.12,3,;-3.78,3.77,;-2.45,3,;-1.11,3.77,;.22,3,;1.55,3.77,;2.89,3,;4.35,3.48,;4.75,4.96,;5.26,2.23,;6.8,2.23,)|
CO[C@H]1CC[C@@H](CC1)n1c2nc(Nc3cn4ncnc4cc3C)ncc2n(C)c1=O |r,wU:2.1,wD:5.8,(7.49,-4.89,;5.95,-4.89,;5.55,-3.4,;4.06,-3,;3.66,-1.51,;4.75,-.43,;6.24,-.82,;6.64,-2.31,;4.35,1.06,;2.89,1.54,;1.55,.77,;.22,1.54,;-1.11,.77,;-2.45,1.54,;-3.78,.77,;-5.12,1.54,;-6.58,1.06,;-7.49,2.31,;-6.58,3.55,;-5.12,3.08,;-3.78,3.85,;-2.45,3.08,;-1.11,3.85,;.22,3.08,;1.55,3.85,;2.89,3.08,;4.35,3.55,;5.12,4.89,;5.26,2.31,;6.8,2.31,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCCOC3)c2n1 |r|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CCCOC3)c2n1 |r|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:20.21,23.25,wD:23.26,(3.5,1.28,;3.5,2.82,;4.83,3.59,;4.83,5.13,;5.97,6.16,;5.35,7.57,;3.82,7.41,;3.5,5.9,;2.16,5.13,;2.16,3.59,;.83,2.82,;-.51,3.59,;-1.84,2.82,;-3.17,3.59,;-3.17,5.13,;-4.32,6.16,;-5.8,5.76,;-3.69,7.57,;-4.46,8.9,;-2.16,7.41,;-1.07,8.5,;-1.47,9.99,;-.38,11.07,;1.11,10.68,;2.59,11.07,;1.11,12.22,;1.51,9.19,;.42,8.1,;-1.84,5.9,;-.51,5.13,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:20.21,23.26,wD:23.25,(3.5,1.28,;3.5,2.82,;4.83,3.59,;4.83,5.13,;5.97,6.16,;5.35,7.57,;3.82,7.41,;3.5,5.9,;2.16,5.13,;2.16,3.59,;.83,2.82,;-.51,3.59,;-1.84,2.82,;-3.17,3.59,;-3.17,5.13,;-4.32,6.16,;-5.8,5.76,;-3.69,7.57,;-4.46,8.9,;-2.16,7.41,;-1.07,8.5,;-1.47,9.99,;-.38,11.07,;1.11,10.68,;1.11,12.22,;2.59,11.07,;1.51,9.19,;.42,8.1,;-1.84,5.9,;-.51,5.13,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCOC3)c2n1 |r|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(c2n1)[C@]1(C)CC[C@H](O)CC1 |r,wU:26.30,wD:22.26,(3.41,-5.24,;3.41,-3.7,;4.74,-2.93,;4.74,-1.39,;5.89,-.36,;5.26,1.05,;3.73,.89,;3.41,-.62,;2.08,-1.39,;2.08,-2.93,;.74,-3.7,;-.59,-2.93,;-1.92,-3.7,;-3.26,-2.93,;-3.26,-1.39,;-4.4,-.36,;-5.89,-.76,;-3.78,1.05,;-4.17,2.53,;-2.24,.89,;-1.92,-.62,;-.59,-1.39,;-1.15,1.97,;-2.64,2.37,;.33,1.58,;1.42,2.66,;1.02,4.15,;2.11,5.24,;-.46,4.55,;-1.55,3.46,)|
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCCCC3)c2n1
Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCN(CC3)C(=O)C=C)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)Nc3cccc(NC(=O)C=C)c3)nc12
CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)c1
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3C)S(N)(=O)=O)nc12
Cc1cc(Nc2ccc(F)c(CC3(CCN(Cc4cccc(Cl)c4F)CC3)C(O)=O)n2)n[nH]1
CCC1CC(Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2ccc(F)c(Nc3cc(C)n[nH]3)n2)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1c(F)ccc(Cl)c1F)C(O)=O
CC[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2C)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2Cl)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1c(F)cccc1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1cccc(F)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1cccc(C)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1c(Cl)cccc1Cl)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1cccc(c1)C(F)(F)F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1cc(Cl)c(F)c(Cl)c1)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ncc2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1ccc(F)c(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2cccc(Nc3cc(C)[nH]n3)n2)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2cc(F)cc(Nc3cc(C)[nH]n3)n2)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2cnc(C)c(Nc3cc(C)[nH]n3)n2)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)n[nH]3)c(C)cc2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1C(=O)Cc1cccc(Cl)c1F)C(O)=O |r|
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1C(=O)c1ccccc1C(F)(F)F)C(O)=O
C[C@H](N1CC[C@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(C[C@H]1C)C(O)=O)c1cccc(Cl)c1F
C[C@@H]1C[C@@](Cc2cncc(Nc3cc(C)[nH]n3)n2)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)cc(C)c2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)cc(C)c2F)(CCN1Cc1c(F)ccc(Cl)c1F)C(O)=O |r|
Cc1cc(Nc2cc(C)c(F)c(CC3(CCN(Cc4cccc(Cl)c4F)CC3)C(O)=O)n2)n[nH]1
Cc1cc(Nc2cc(C)c(F)c(CC3(CCN(Cc4cccc(F)c4F)CC3)C(O)=O)n2)n[nH]1
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)cc(C)c2F)(CCN1Cc1cccc(Cl)c1Cl)C(O)=O |r|
Cc1cc(Nc2cc(C)c(F)c(CC3(CCN(Cc4cccc(Cl)c4Cl)CC3)C(O)=O)n2)n[nH]1
Cc1cc(Nc2cc(C)c(F)c(CC3(CCN(Cc4c(F)ccc(Cl)c4F)CC3)C(O)=O)n2)n[nH]1
CCc1cc(Nc2cc(C)[nH]n2)nc(CC2(CCN(Cc3cccc(Cl)c3F)CC2)C(O)=O)c1F
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)n[nH]3)cc(C#N)c2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
CC(=O)c1cc(Nc2cc(C)[nH]n2)nc(CC2(CCN(Cc3cccc(Cl)c3F)CC2)C(O)=O)c1F
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)cc(Cl)c2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2cc(Cl)c(F)c(Nc3cc(C)[nH]n3)n2)(CCN1Cc1cccc(Cl)c1F)C(O)=O |r|
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)c(F)c(Cl)c2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O |r|
C[C@@H]1C[C@@](Cc2cc(C)c(F)c(Nc3cc(C)[nH]n3)n2)(CCN1Cc1cccc(Cl)c1F)C(O)=O
Cc1cc(Nc2nc(CC3(CCN(Cc4cccc(Cl)c4F)CC3)C(O)=O)cc(C)c2F)n[nH]1
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)cc(c2F)S(C)(=O)=O)(CCN1Cc1cccc(Cl)c1F)C(O)=O |r|
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)c(Cl)c(Cl)c2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2cc(C#N)c(F)c(Nc3cc(C)[nH]n3)n2)(CCN1Cc1cccc(Cl)c1F)C(O)=O
C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)c(F)cc2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
Cc1cc(Nc2nc(CC3(CCN(Cc4cccc(Cl)c4F)CC3)C(O)=O)c(F)cc2F)n[nH]1
CC1CC(Cc2nc(Nc3n[nH]c(C)c3C)ccc2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O
Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F
COc1ccc(cc1)Nc2c3cc[nH]c3ncn2
Brc1cccc(Nc2ncnc3[nH]ccc23)c1
O=C(Nc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
O=S(=O)(Nc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
O=C(Nc1ccccc1)c1ccc(Nc2ncnc3[nH]ccc23)cc1
C1NNC(Nc2ncnc3[nH]ccc23)=C1 |c:15|
C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncncc5C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncncc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncncc5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@]3(C[C@@H]3c3ccc4c(Nc5ncncc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCOCC6)c5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(Cl)ncc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCOCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nccnc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(OC)ncn5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cccc6CCOc56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncccc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCN(C)CC6)c5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(OC)ncc5Cl)n[nH]c4c3)c2c1
COc1nn(C)cc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cnn6CCOc56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cccc6C(=O)COc56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nccc6CCOc56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nccc6[C@@H](CO)COc56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nccc6[C@H](CO)COc56)n[nH]c4c3)c2c1
COC1CN(C1)c1cc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)ncn1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ncn5)N5CC(O)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6C7CCC6COC7)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(OCCO)ncn5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ncn5)N5CCS(=O)(=O)CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ncn5)N5CCCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc(N6CCOCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CC(O)C6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCCOCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ncn5)N5CCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CC(O)C6)c5Cl)n[nH]c4c3)c2c1
COC1CN(C1)c1ncnc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c1Cl
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(Cl)nc(N6CCOCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(Cl)c(OC)c(n5)N5CCOCC5)n[nH]c4c3)c2c1
COc1nn(CCO)cc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCOCC6)c5OC)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6C[C@H](C)O[C@H](C)C6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCS(=O)(=O)CC6)c5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCS(=O)(=O)CC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(CCO)nc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(CCO)cnc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc(N6CCS(=O)(=O)CC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc(N6CCS(=O)(=O)CC6)c5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(nc(n5)C5CC5)N5CCS(=O)(=O)CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(nc(C)n5)N5CCS(=O)(=O)CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCOCC6)c5OC)C#N)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCS(=O)(=O)CC6)c5OC)C#N)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cn(C)nc5C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cn(C)nc5C(F)(F)F)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cnn(C)c5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cn(C)nc5C#N)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc(N6C[C@H](C)O[C@H](C)C6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(CCO)nc(N6CCOCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCS(=O)(=O)CC6)c5OC)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCS(=O)(=O)CC6)c5Cl)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)cnc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc(N6CC(O)C6)c5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc(N6CC(O)C6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(C)nn5C)n[nH]c4c3)c2c1
COc1cnn(C)c1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CC(O)C6)c5Cl)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6C[C@H](C)O[C@H](C)C6)c5OC)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCS(=O)(=O)CC6)c5Cl)C(C)C)n[nH]c4c3)c2c1
COc1cn(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(cnc5OC)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CC(O)C6)c5OC)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)cnc5C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(cnc5OC)C(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc6N7CCS(=O)(=O)CC7COc56)C(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCOCC6)c5OC)C(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(C)ncc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ccc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(C)cnc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nnccc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(nn5C)C5CC5)n[nH]c4c3)c2c1
CCn1nc(cc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)C1CC1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(CC(C)(C)O)nc(N6CCOCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(nc5OC)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccnc(N6CCOCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(C)ncc5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(cnc5OC)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(cnc5OC)C5COC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(nnc5OC)C(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(nc(n5)C(C)C)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5Cl)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CC(O)C6)c5Cl)n[nH]c4c3)c2c1
CCN1C(=O)[C@@]2(C[C@H]2c2ccc3c(Nc4ncnc(N5CC(O)C5)c4Cl)n[nH]c3c2)c2cc(OC)ccc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCOCC6)c5OC(F)F)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(cnc5OC)C5CNC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(nc(n5)C(C)C)N5CC(O)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(C)nn5CC(F)F)n[nH]c4c3)c2c1
COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCOCC6)c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CC(O)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cncc(n5)C5COC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5Cl)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5Cl)C(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5Cl)C5COC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C5COC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5Cl)N5CC(O)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5OC(F)F)n[nH]c4c3)c2c1
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)N(C)c2ccccc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5OC)n[nH]c4c3F)c2c1
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccccc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C(C)C)n[nH]c4c3)c2c1
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(C)cc12
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@]11C(=O)Nc2ccc(C)cc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC(F)F)C(C)C)n[nH]c4c3)c2c1
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2cccc(F)c12
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@]11C(=O)Nc2cccc(F)c12
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2cc(F)ccc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CC7(COC7)C6)c5Cl)n[nH]c4c3)c2c1
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(F)cc12
CCOc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12
Cc1ncc(OC(F)F)c(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(F)cc23)n1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5OC(C)C)n[nH]c4c3)c2c1
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(cc12)C(F)(F)F
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC(F)(F)F)cc12
COc1cnc(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@]11C(=O)Nc2ccc(OC(F)(F)F)cc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC(F)F)C5COC5)n[nH]c4c3)c2c1
COc1cnc(C)nc1Nc1n[nH]c2c(F)c(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(F)cc12
Cc1ncc(OC(F)F)c(Nc2n[nH]c3c(F)c(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(F)cc23)n1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3cc4[nH]nc(Nc5nc(C)ncc5OC)c4cc3F)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(C)nnc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5OCC5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5OCC(F)F)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(C)ccc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5OCC(F)(F)F)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(C)nc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(nc(C)n5)C(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc6CCOc56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(SC)ncc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(F)(F)F)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc6CCCc56)n[nH]c4c3)c2c1
CCc1ncc(OC)c(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)n1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc6cccnc6cc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)ncc5SC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc6ccccc6cc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(OC)cnc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(Cl)nc6ccoc56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)S(C)(=O)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CC[C@@H](F)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCC(F)(F)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(Cl)nc6ccn(C)c56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C#N)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CC(F)(F)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CC(F)C5)n[nH]c4c3)c2c1
CCS(=O)(=O)c1ccc(OC)c(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ccc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
CNC(=O)c1ccc(OC)c(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ccc5OC)S(=O)(=O)C(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ccc5OC)S(=O)(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ccc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(cnc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5C)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5CC(F)(F)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5CCC(F)(F)CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3cc(F)c4c(Nc5nc(SC)ncc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(OC)ncc5C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5CC6(COC6)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCC(F)(F)CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCS(=O)(=O)CC5)n[nH]c4c3)c2c1
CNC(=O)c1ccc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c(OC)n1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CC6(COC6)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(C)(=O)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C)C(C)C)n[nH]c4c3)c2c1
CCOc1cnc(SC)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ccc5OC)S(C)(=O)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ncc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C5CCOC5)n[nH]c4c3)c2c1
CCOc1nc(ccc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(C)(=O)=O
CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)C(=O)N(C)C
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)P(C)(C)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(F)c(cc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(F)c(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(C)(=O)=O
CCS(=O)(=O)c1ccc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c(OC)n1
CNS(=O)(=O)c1cc(OC)c(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1C
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc6CSC(C)c56)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(OC)c(cc5OC)S(N)(=O)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc6CCCc56)N(C)C)n[nH]c4c3)c2c1
CCOc1nc(ccc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)C(=O)N(C)C
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)N5CCCC5=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ccc5OC)S(=O)(=O)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc6cccnc6cc5OC)n[nH]c4c3)c2c1
CON(C)C(=O)c1ccc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c(OC)n1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)NNC(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(cnc5OC)N5CCCC5=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(cnc5OC)N5CCN(C)C5=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)S(=O)(=O)N(C)C)n[nH]c4c3)c2c1
CCOc1nc(ccc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(=O)(=O)N(C)C
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(ccc5OC)S(=O)(=O)C5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)P(C)(C)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(cnc5OC)C(C)(C)O)n[nH]c4c3)c2c1
CCS(=O)(=O)c1cnc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c(OC)c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(nc5OC)P(C)(C)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)NCC5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)NC(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5C6CCC5COC6)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nn(C)c(=O)cc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(cnc5OC)-c5ncco5)n[nH]c4c3)c2c1
COC1CN(C1)C(=O)c1cnc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c(OC)c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(nc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
CCOc1nc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)C(=O)N(C)C
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(C)c(nc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)S(C)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cnc(cc5OC)S(C)(=O)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(nc5OC)S(C)(=O)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C5CC5)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)NCC(F)F)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5[C@@H](C)CCC[C@H]5C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5CC6CCC(C5)O6)n[nH]c4c3)c2c1 |TLB:26:28:35:31.32|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5Cl)S(C)(=O)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)C(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cnc(cc5OC)P(C)(C)=O)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)NC(CF)CF)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5Cl)C(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc6oc(C)nc6cc5Cl)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cnc(cc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(nc5OC)C5CS(=O)(=O)C5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CC6CCC(C5)O6)n[nH]c4c3)c2c1
CCP(=O)(CC)c1ccc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c(OC)n1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)C5CC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)C5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C#N)n[nH]c4c3)c2c1
CCP(=O)(CC)c1ccc(OC)c(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c1
CCS(=O)(=O)c1cc(OC)c(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cn1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N5CCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc6CN(C)C(=O)c6cc5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc6C(=O)N(C)Cc6c5OC)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CCCO5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CCC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)NC5(C)COC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N(C)C5(C)COC5)n[nH]c4c3)c2c1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(cnc5OC)C(C)O)n[nH]c4c3)c2c1
CCOc1cc(ccc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(C)(=O)=O
CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(=O)(=O)N1CCN(C)CC1
CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(=O)(=O)CC
CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(=O)(=O)NC
CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(Cl)cc12)S(C)(=O)=O
CCOc1cc(=O)n(C)nc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ccc5OC)C(C)(C)O)n[nH]c4c3)c2c1
CCOc1cc(ncc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(C)(=O)=O
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)C(F)F)n[nH]c4c3)c2c1
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ccnnc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4nccnc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4cncnc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4nc(C)cnc4cc3C)ncc2n(C)c1=O
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.26,wD:21.22,(3.34,-5.73,;3.34,-4.19,;4.68,-3.42,;4.68,-1.88,;6.01,-1.11,;6.01,.43,;4.68,1.2,;3.34,.43,;3.34,-1.11,;2.01,-1.88,;2.01,-3.42,;.68,-4.19,;-.66,-3.42,;-1.99,-4.19,;-3.33,-3.42,;-3.33,-1.88,;-4.47,-.85,;-6.01,-.85,;-3.84,.56,;-4.61,1.89,;-2.31,.4,;-1.54,1.73,;-0,1.73,;.77,3.06,;-0,4.4,;.77,5.73,;-1.54,4.4,;-2.31,3.06,;-1.99,-1.11,;-.66,-1.88,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.26,wD:21.22,(3.34,-5.73,;3.34,-4.19,;4.68,-3.42,;4.68,-1.88,;6.01,-1.11,;6.01,.43,;4.68,1.2,;3.34,.43,;3.34,-1.11,;2.01,-1.88,;2.01,-3.42,;.68,-4.19,;-.66,-3.42,;-1.99,-4.19,;-3.33,-3.42,;-3.33,-1.88,;-4.47,-.85,;-6.01,-.85,;-3.84,.56,;-4.61,1.89,;-2.31,.4,;-1.54,1.73,;-0,1.73,;.77,3.06,;-0,4.4,;.77,5.73,;-1.54,4.4,;-2.31,3.06,;-1.99,-1.11,;-.66,-1.88,)|
Cc1cc2nccc(C)c2cc1Nc1ncc2n(C)c(=O)n(C3CCC(O)CC3)c2n1 |(2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;9.2,6.69,;9.2,8.23,;7.87,9,;7.87,10.54,;6.53,8.23,;5.2,9,;3.86,8.23,;2.53,9,;1.2,8.23,;1.2,6.69,;-.14,5.92,;-1.47,6.69,;-2.94,6.22,;-3.41,4.75,;-3.84,7.46,;-5.38,7.46,;-2.94,8.71,;-3.41,10.17,;-4.92,10.49,;-5.39,11.96,;-4.36,13.1,;-4.84,14.57,;-2.86,12.78,;-2.38,11.32,;-1.47,8.23,;-.14,9,)|
COc1ccnc2cc(C)c(Nc3ncc4n(C)c(=O)n([C@H]5CC[C@H](O)CC5)c4n3)cc12 |r,wU:24.24,wD:21.20,(2.01,2.74,;2.01,1.2,;3.34,.43,;4.68,1.2,;6.01,.43,;6.01,-1.11,;4.68,-1.88,;4.68,-3.42,;3.34,-4.19,;3.34,-5.73,;2.01,-3.42,;.68,-4.19,;-.66,-3.42,;-1.99,-4.19,;-3.33,-3.42,;-3.33,-1.88,;-4.47,-.85,;-6.01,-.85,;-3.84,.56,;-4.61,1.89,;-2.31,.4,;-1.54,1.73,;-0,1.73,;.77,3.06,;-0,4.4,;.77,5.73,;-1.54,4.4,;-2.31,3.06,;-1.99,-1.11,;-.66,-1.88,;2.01,-1.88,;3.34,-1.11,)|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCC(O)CC3)c2n1 |(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-4.91,2.32,;-5.39,3.78,;-6.89,4.1,;-7.37,5.56,;-7.92,2.96,;-7.45,1.49,;-4,-.77,;-2.67,,)|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCC(O)CC3)c2n1 |(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-4.91,2.32,;-5.39,3.78,;-6.89,4.1,;-7.37,5.56,;-7.92,2.96,;-7.45,1.49,;-4,-.77,;-2.67,,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.26,wD:21.22,24.27,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:24.27,wD:21.22,24.26,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.26,wD:21.22,24.27,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:24.27,wD:21.22,24.26,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.26,wD:24.27,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-4.91,2.32,;-5.39,3.78,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-7.92,2.96,;-7.45,1.49,;-4,-.77,;-2.67,,)|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(c2n1)[C@]1(C)CC[C@H](O)CC1 |r,wU:27.31,wD:23.27,(3.32,-5.24,;3.32,-3.7,;4.65,-2.93,;4.65,-1.39,;5.98,-.62,;5.98,.92,;4.65,1.69,;3.32,.92,;3.32,-.62,;1.98,-1.39,;1.98,-2.93,;.65,-3.7,;-.68,-2.93,;-2.02,-3.7,;-3.35,-2.93,;-3.35,-1.39,;-4.5,-.36,;-5.98,-.76,;-3.87,1.05,;-4.64,2.38,;-2.34,.89,;-2.02,-.62,;-.68,-1.39,;-1.25,1.97,;-2.74,2.37,;.24,1.58,;1.33,2.66,;.93,4.15,;2.02,5.24,;-.56,4.55,;-1.65,3.46,)|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCOC3)c2n1 |r|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCOC3)c2n1 |r|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CCOC3)c2n1 |r|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CCOC3)c2n1 |r|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n(C3CCCOC3)c2n1
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCCOC3)c2n1
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCCOC3)c2n1 |r|
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCCOC3)c2n1 |r|
Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cc2ncncc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cnc2cc(C)c(Nc3ncc4n(C)c(=O)n(C5CCOCC5)c4n3)cc2n1
Cc1cnc2cc(Nc3ncc4n(C)c(=O)n(C5CCOCC5)c4n3)c(C)cc2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCS(=O)(=O)CC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3COC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCNCC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CCNC[C@@H]3F)c2n1 |r|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.26,wD:24.27,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-4.91,2.32,;-5.39,3.78,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-7.92,2.96,;-7.45,1.49,;-4,-.77,;-2.67,,)|
CN1CC[C@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
CN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
CN1CCC(CC1)n1c2nc(Nc3cc4ccnnc4cc3C)ncc2n(C)c1=O
CN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
CN1CCC(CC1)n1c2nc(Nc3cc4nccnc4cc3C)ncc2n(C)c1=O
CN1CC[C@H]([C@@H](F)C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCN(CC3)C3COC3)c2n1
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCN(CCO)CC3)c2n1
COCCN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
CCN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
Cc1cc2c(cccn2)cc1Nc3ncc4c(n3)N(C(=O)N4C)[C@@H]5CNC[C@H]5F
Fc1ccc(NCc2cc(ccn2)-c2cc3cccnc3[nH]2)cc1NC(=O)Cc1ccccc1
Fc1ccc(NCc2ccc(cc2)-c2cn[nH]c2)cc1NC(=O)CCc1ccccc1
Cn1cc(cn1)-c1ccc(CNc2ccc(F)c(NC(=O)CCc3ccccc3)c2)cc1
Fc1ccc(NCc2ccc(cc2)-c2cn[nH]c2)cc1NC(=O)CCc1ccco1
Cn1cc(cn1)-c1ccc(CNc2ccc(F)c(NC(=O)CCc3ccco3)c2)cc1
Cn1cc(cn1)-c1ccc(CNc2ccc(F)c(NC(=O)CCc3ccoc3)c2)cc1
Cn1cc(cn1)-c1ccc(CNc2ccc(F)c(NC(=O)CCc3cccs3)c2)cc1
Cn1cc(cn1)-c1ccc(CNc2ccc(F)c(NC(=O)CCc3ccsc3)c2)cc1
Cn1cc(cn1)-c1ccc(CNc2ccc(F)c(NC(=O)\C=C\c3ccco3)c2)cc1
Cn1cc(cn1)-c1ccc(CNc2ccc(F)c(NC(=O)C=Cc3ccccc3)c2)cc1
O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1
c1cc(Nc2ncnc3[nH]ccc23)[nH]n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1
CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1
COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCCC1
OCCOCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
Cc1cc(Nc2cc(nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)N2CCCCC2)n[nH]1
CN1CCN(CC1)c1nc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CCCCC3)cc2)n1
CN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O
Cc1cc(Nc2cc(nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)N2CCOCC2)n[nH]1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(NC(=O)C3CC3)cc2)n1
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1F
Cc1cc(Nc2cc(nc(Nc3ccc(F)c(Cl)c3)n2)N2CCOCC2)n[nH]1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)c(Cl)c2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)c(F)c2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)c(F)c2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)cc2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(F)c2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)c(Cl)c2)n1
COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c(OC)c1OC
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1OC
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3OCOc3c2)n1
COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1OC
CC(C)c1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1
CCN(CC)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
OC1CCN(Cc2ccccc2NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)CC1
Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1
CC(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
OC1CCN(Cc2cccc(NC(=O)Nc3ccc(CCNc4ncnc5oc(c(Cl)c45)-c4ccccc4)cc3)c2)CC1
CN(C)Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1
CN(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
CC(C)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1
Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1
Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4CN4CCCCC4)cc3)c12)-c1ccccc1
CCN(CC)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1
CCc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1
CN(C)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1
CCc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
CC(C)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
CCN(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
CCc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1
CC(C)c1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1
CC(C)Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1
Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(CN5CCCCC5)cc4)cc3)c12)-c1ccccc1
OC1CCN(Cc2ccc(NC(=O)Nc3ccc(CCNc4ncnc5oc(c(Cl)c45)-c4ccccc4)cc3)cc2)CC1
Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c12)-c1ccccc1
Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(CN5CCCCC5)c4)cc3)c12)-c1ccccc1
CCN(CC)Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1
CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5
CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)nc12
CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(nc1)N1CCN(CC1)C(=O)C(C)(C)C
CNc1ncc2c(nn(Cc3cn(Cc4ccccc4)nn3)c2n1)-c1ccc(nc1)N1CCNCC1
CNc1ncc2c(nn(CC3OCCO3)c2n1)-c1ccc(nc1)N1CCNCC1
Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1 |r|
CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(cc1)N1CCN(C)CC1
CNc1ncc2c(nn(Cc3cn(Cc4ccccc4)nn3)c2n1)-c1ccc(nc1)N1CCN(CC1)C(=O)C(C)(C)C
CCN1CCN(CC1)c1ccc(cn1)-c1nn(Cc2cn(Cc3ccccc3)nn2)c2nc(NC)ncc12
CNc1ncc2c(nn(Cc3cn(Cc4ccccc4)nn3)c2n1)-c1ccc(cc1)N1CCNCC1
CNc1ncc2c(nn(Cc3cn(nn3)-c3ccsc3C(=O)OC)c2n1)-c1ccc(nc1)N1CCNCC1
CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(nc1)N1CCN(C)CC1
CNc1ncc2c(nn(Cc3cn(Cc4ccccc4)nn3)c2n1)-c1ccc(nc1)N1CCN(C)CC1
CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(nc1)N1CCNCC1
CNc1ncc2c(nn(CC3OCCO3)c2n1)-c1ccc(OC)cc1
CCN1CCN(CC1)c1ccc(cn1)-c1nn(CC2CCCC2)c2nc(NC)ncc12
CN1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CCCC2)nc(Sc2ccccc2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccccc2)n1
CN1CCN(CC1)c1cc(Nc2cc([nH]n2)-c2cccc(F)c2)nc(Sc2ccccc2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(C)cc2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(F)cc2)n1
Cc1cn2c(cnc2c(Nc2cc(Cc3cccnc3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(F)n3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3ncccc3C)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(CO)n3)ns2)n1)-c1cn[nH]c1
CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(Nc2cc(Cn3cccc3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cn3ccnc3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cn3cccc(C)c3=O)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3nccs3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC2CCCC2)c2ccccn2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCC(F)CC2)c2ccccn2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(CN4CCCCC4)n3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(n3)C(=O)N3CCCCC3)ns2)n1)-c1cn[nH]c1
COc1cccc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)n1
Cc1cn2c(cnc2c(Nc2cc(Cc3ncccc3F)ns2)n1)-c1cn[nH]c1
Cc1cccc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)n1
Cc1ccnc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3cnccn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccncc3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cn3cccn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3ncccn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCC2)c2ccccn2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccc(F)cn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCCC2)c2ccccn2)n1)-c1cn[nH]c1
Cc1ccc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)nc1
Cn1cc(cn1)-c1nn(Cc2ccc(cc2)C(=O)NC2CCCCC2)c(=O)c2ccccc12
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(C)=O)cc2)n1
Cn1cc(cn1)-c1nn(Cc2ccc(cc2)C(=O)NC2CCCC2)c(=O)c2ccccc12
Cn1cc(cn1)-c1nn(Cc2ccc(cc2)C(=O)NC2CC(C)(C)N(O)C(C)(C)C2)c(=O)c2ccccc12
Cn1cc(Nc2nn(Cc3ccc(cc3)C(=O)NC3CCCCC3)c(=O)c3ccccc23)cn1
CN1CCC(CC1)NC(=O)c1ccc(Cn2nc(-c3cnn(C)c3)c3ccccc3c2=O)cc1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4
Cn1cc(cn1)C2=CNC(=O)C(=C2)N
Nc1cc(c[nH]c1=O)-c1ccncc1
Cn1cc(cc(N)c1=O)-c1ccncc1
CNc1nccc(n1)-c1c[nH]c(=O)c(N)c1
Nc1cc(cnc1O)-c1ccccc1
CN(C)Cc1ccc(cc1)-c1c[nH]c(=O)c(N)c1
c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3
COc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Fc1cc(F)cc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4
Nc1ccc[nH]c1=O
CC1=C(C=C(C(=O)N1)C#N)c2ccncc2
COc1ncc(cc1N)-c1ccncc1
Cc1[nH]c(=O)c(cc1-c1ccncc1)C(N)=O
Fc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
O=C(Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1)c1ccccc1
Nc1cc(c[nH]c1=O)-c1ccnc2ccccc12
Nc1cc(c[nH]c1=O)-c1cncnc1
COc1cc(OC)cc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Nc1cc(c[nH]c1=O)-c1cccnc1
Cc1nc(O)c(N)cc1-c1ccncc1
O=c1[nH]cc(cc1NS(=O)(=O)c1ccccc1)-c1ccncc1
Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1
c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1
CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F
Cc1csc(c1)-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)cc2)c2ccccc12
COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Clc1cccc(NC(=O)NC2NC=C(CCNc3ncnc4sccc34)S2)c1 |t:12|
c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O
CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1
COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O
CNC(=O)Nc1sc2c(cc(NS(=O)(=O)N(C)C)cc2c1C(N)=O)C(C)C
CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3ccccc3)cc2c1C(N)=O)C(C)C
CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3cc(C)cs3)cc2c1C(N)=O)C(C)C
CC(C)c1cc(NS(=O)(=O)c2ccccc2)cc2c(C(N)=O)c(NC(=O)C3CC3)sc12
CCS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1
CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3cccc(C)c3)cc2c1C(N)=O)C(C)C
CCCNS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1
CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3cccs3)cc2c1C(N)=O)C(C)C
CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3ccn(C)n3)cc2c1C(N)=O)C(C)C
Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCOCC1 |c:13|
CNc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1 |c:15|
COc1ccc(cc1)C1=Nc2c(Nc3nc(SC)ncc13)n[nH]c2C |t:9|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccccc2C(F)(F)F)n1 |c:15|
CC(C)Nc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1 |c:17|
Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCCCC1 |c:13|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2cccc(Cl)c2)n1 |c:15|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccccc2Cl)n1 |c:15|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccccc2)n1 |c:15|
CN1CCN(CC1)c1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1 |c:21|
CCN(CC)c1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1 |c:18|
Cc1[nH]nc2Nc3nc(NC(C)(C)C)ncc3C(=Nc12)c1ccc(C)cc1 |c:18|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(cc2)C(F)(F)F)n1 |c:15|
COc1ccccc1C1=Nc2c(Nc3nc(SC)ncc13)n[nH]c2C |t:9|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccccc2C)n1 |c:15|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2cccc(F)c2)n1 |c:15|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(Cl)cc2)n1 |c:15|
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1 |c:15|
COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2CCNCCc2c1
Cc1cc(Nc2nc(nc3cc(Cl)ccc23)-c2ccccc2)n[nH]1
Cc1cc(Nc2nc(nc3cc(ccc23)[N+]([O-])=O)-c2ccccc2)n[nH]1
Cc1cc(Nc2nc(nc3ccccc23)C(=O)c2ccccc2)n[nH]1
CN1CCN(CC1)c1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Cc1cc(Nc2nc(nc3cc(ccc23)N2CCC(CC2)C(O)=O)-c2ccccc2)n[nH]1
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccccc1
Cc1cc(Nc2nc(nc3cc(F)ccc23)-c2ccccc2)n[nH]1
Cc1cc(Nc2nc(nc3cc(Cl)ccc23)C(=O)c2ccc(C)cc2)n[nH]1
COc1ccc(cc1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2ccc(Cl)cc2n1
COc1cccc2c(Nc3cc(C)[nH]n3)nc(Cc3ccccc3)nc12
CC(C)c1nc(Nc2cc(C)[nH]n2)c2ccccc2n1
Cc1cc(Nc2nc(nc3ccccc23)-c2ccc3ccccc3c2)n[nH]1
COc1cccc2c(Nc3cc(C)[nH]n3)nc(nc12)-c1ccccc1
CCOC(=O)C1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccccc1
COc1cccc(OC)c1C(=O)c1nc(Nc2cc(C)[nH]n2)c2ccc(cc2n1)N1CCC(CC1)C(=O)OC(C)(C)C
COc1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccccc1
Cc1cc(Nc2nc(nc3c(cccc23)[N+]([O-])=O)-c2ccccc2)n[nH]1
Cc1cc(Nc2nc(Cc3ccccc3)nc3ccccc23)n[nH]1
Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
[H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2cccc(OC)c2)cc1
COc1ccc(NC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccccc2OC)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(cc2)N(C)C)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2cccc(NC(C)=O)c2)cc1
CCOC(=O)c1c(C)n[nH]c1N\N=C\c1ccc2[nH]ccc2c1
CCOC(=O)c1c(C)n[nH]c1N\N=C\c1cccc2[nH]ccc12
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2ccccc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2ccccc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCCc2ccccc2)cc1
COc1ccc(CNC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(NC(C)=O)cc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2cccc(OC)c2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(OC)c(OC)c2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)N(C)c2ccccc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2cccc(OC)c2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(F)cc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2cccc(NC(C)=O)c2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]c3ccccc23)cc1
COc1ccc(CCNC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)OCc2ccccc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2cccnc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)N(C)Cc2ccccc2)cc1
COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]cn2)cc1
CCOC(=O)c1c(C)n[nH]c1N\N=C\c1ccc(OC)cc1
COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
Cc1nc[nH]c1[C@H]1N(Cc2nc3ccccc3[nH]2)CCc2[nH]cnc12 |r|
[O-][N+](=O)c1ccc2[n+]([O-])c3[nH]c4ccccc4c3[n+]([O-])c2c1
CC(C)N(Cc1cn2cccc(C)c2n1)Cc1nc2ccccc2c(=O)[nH]1
Cc1nc[nH]c1[C@@H]1N(Cc2nc3ccccc3[nH]2)CCc2[nH]cnc12 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
Clc1[nH]c2ccccc2c1\C=C1\C(=O)Nc2ccccc12
NS(=O)(=O)c1ccc(Nc2ncn(n2)C(=O)c2c(F)cccc2F)cc1
CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3Cl)n2)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)[N+]([O-])=O)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3cccc(Cl)c3)n2)[N+]([O-])=O)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3ccc(Cl)cc3)n2)[N+]([O-])=O)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3O)n2)[N+]([O-])=O)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3ccc(O)cc3)n2)[N+]([O-])=O)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3ccc(cc3)C(=O)Nc3cccc(Cl)c3)n2)[N+]([O-])=O)cc1
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3Cl)n2)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3cccc(O)c3)n2)[N+]([O-])=O)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3ccc(cc3)C(=O)Nc3ccc(Cl)cc3)n2)[N+]([O-])=O)cc1
CC1(C)CC(CC(C)(C)N1O)NC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3Cl)n2)[N+]([O-])=O)cc1
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3cc(Br)c[nH]3)c12
Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
Cc1ccc2n(c(CCN3C(=O)c4cccc5cccc(C3=O)c45)nc2c1)-c1ccncc1
CC(C)n1nc(Nc2cc(C)[nH]n2)c2ccc(OCCN3CCOCC3)cc2c1=O
COc1ccc(Oc2nc(Nc3ccc(cc3)-c3nnn[nH]3)ncc2Cl)cc1
CC(C)Oc1nc(Nc2ccc(cc2)-c2nnn[nH]2)ncc1C
Fc1ccc(Oc2nc(Nc3ccc(cc3)-c3nnn[nH]3)ncc2Cl)cc1
Fc1ccccc1Oc1nc(Nc2ccc(cc2)-c2nnn[nH]2)ncc1Cl
CCCCOC(=O)Cc1cc(Nc2nc(Nc3ccc(cc3)C(=O)NC3CC(C)(C)N([O])C(C)(C)C3)ncc2F)n[nH]1 |^1:31|
Cc1cc(Nc2nc(Nc3ccc(cc3)C(=O)NC3CC(C)(C)N(O)C(C)(C)C3)ncc2F)no1
OC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3F)n2)cc1
Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1
COc1ccc(cc1)C1CC(=NN1C(=S)Nc1cccc(OC)c1)c1ccc2ccccc2c1O |c:11|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|
COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1
Cc1ccc(cc1)-c1cc2nccnc2c(NCCCCN)n1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Cc1ccc(cc1)-c1nn(cc1C(=O)NOCc1ccccc1F)-c1ccccc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
O=C(Cc1ccc(Nc2nccc(NC3CCCC3)n2)cc1)NC1CCCCC1
C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(cc2)C(=O)NC2CCCCC2)n1
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(cc2)C(=O)N2CCOCC2)n1
CN1CCN(CC1)C(=O)c1ccc(Oc2nc(cnc2N)-c2c(C)noc2C)cc1
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(cc2)C(=O)Nc2ccccc2)n1
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)n1
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(cc2)C(=O)Nc2cccc(Cl)c2)n1
Cn1cc(cn1)-c1cnc(N)c(Oc2ccc(cc2)C(=O)Nc2ccccc2)n1
Cn1cc(cn1)-c1cnc(N)c(Oc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)n1
Cn1cc(cn1)-c1cnc(N)c(Oc2ccc(cc2)C(=O)Nc2cccc(Cl)c2)n1
CCOC(=O)c1cnc2ccccc2c1Nc1cccc(c1)S(N)(=O)=O
CCOC(=O)c1cnc2cc(Cl)cc(Cl)c2c1Nc1cccc(c1)S(N)(=O)=O
CCOC(=O)c1cnc2cc(Cl)cc(Cl)c2c1Nc1cccc(c1)S(=O)(=O)NC
CCOC(=O)c1cnc2ccccc2c1Nc1cccc(NS(C)(=O)=O)c1
CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(NS(C)(=O)=O)c1
CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(NS(C)(=O)=O)c1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
NCCO\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C(O)=O
NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CC(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COC(=O)CC(O)=O)[C@H](O)[C@@H]1O |r|
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CC(=O)NC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@H]1O[C@@H](CNC(=O)CC(O)=O)[C@H](O)[C@@H]1O |r|
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCCC(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
CC(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
CNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
CNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
CC(C)(COC(=O)CCC(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS |r|
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@H](O)C(=O)NCCC(=O)NCCS |r|
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)[C@H](O)C(=O)NCCC(=O)NCCS |r|
CCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
COc1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1
COc1cccc(Cn2ncc3ccc(cc3c2=O)-c2cn[nH]c2)c1
COc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc(c[nH]1)-c1ccc(CN2CCOCC2)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc(c[nH]1)-c1ccc(CN2CCOCC2)cc1
Clc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc(c[nH]1)-c1ccc(CN2CCOCC2)cc1
Clc1cccc(c1)C(=O)Nc1c[nH]nc1-c1nc(c[nH]1)-c1ccc(CN2CCOCC2)cc1
COc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc(c[nH]1)-c1ccc(CN2CCCCC2)cc1
Clc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc(c[nH]1)-c1ccc(CN2CCCCC2)cc1
Clc1cccc(c1)C(=O)Nc1c[nH]nc1-c1nc(c[nH]1)-c1ccc(CN2CCCCC2)cc1
Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc(c[nH]2)-c2ccc(CN3CCOCC3)cc2)n1
c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
O=C1COC2(C=CC(=O)C=C2)N1c1nc(nn1-c1ccccc1)-c1cccc2ccccc12 |c:5,9|
CCC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccc2ncn(CCN3CCOCC3)c(=O)c2c1
CCC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccc2ncn(CCc3c[nH]c4ccccc34)c(=O)c2c1
Cn1cc(cn1)-c1ccc2c(Nc3cccc(NC(=O)Nc4cccc(F)c4)c3)ncnc2c1
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1
CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1
CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c(cc34)-c3ccc(cc3)S(C)(=O)=O)cc2)no1
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccccc23)n[nH]1 |r|
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3ccccc23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3cccc(F)c23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(C)cc3)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(cn3)C#N)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |r|
CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cn3)nc3cccc(OC)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(C)c23)n[nH]1 |r|
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(C)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(C)c23)n[nH]1
Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1
CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccc(Cl)c1
COc1cccc(OC)c1-c1ccc(s1)-c1cnc2cc(ccn12)-c1cnn(C)c1
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(F)cc4)cc3)ncnc2c1
Fc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
COc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(ccc34)N(C)C)cc2)cc1
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(nc4)C(F)(F)F)cc3)ncnc2c1
CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r|
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r|
CN(C)C1CN(C1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r|
CN(C)[C@H]1CCN(C1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r|
CN(C)CCN(C)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccccc2)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)cc2)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)cc2Cl)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)cc2C)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)c(F)c2)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)c(C)c2)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cc(Cl)ccc2F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)cc2F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(cc2F)C(F)(F)F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2c(F)cc(Cl)cc2F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cc(F)c(Cl)cc2F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)c(F)c2F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cc(F)c(Cl)c(F)c2)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cc(F)c(F)cc2F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)nc2F)n1 |r|
CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)S(=O)(=O)c2ccc(Cl)cc2F)n1 |r|
COc1nc(C)nc2[nH]cc(-c3ccncc3)c12
COc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12
COc1nc(C)nc2[nH]cc(-c3ccnc(C)c3)c12
Fc1ccc(Cn2cccc(C(=O)NCCC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)NCCCC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Fc1ccc(Cn2cccc(C(=O)Nc3cccc(c3)C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Cc1ccc(C(=O)NCC(=O)Nc2ccc3NC(=O)\C(=C/c4cnc[nH]4)c3c2)c(=O)n1Cc1ccc(F)c(F)c1
Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3NC(=O)\C(=C/c4cnc[nH]4)c3c2)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1 |r|
Cc1c(Br)cc(C(=O)NCC(=O)Nc2ccc3NC(=O)\C(=C/c4cnc[nH]4)c3c2)c(=O)n1Cc1ccc(F)c(F)c1
Cc1c(Br)cc(C(=O)N[C@@H](C(=O)Nc2ccc3NC(=O)\C(=C/c4cnc[nH]4)c3c2)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1 |r|
Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|
Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
O=C(Nc1ncc(CCNc2ncnc3ccccc23)s1)Nc1ccccc1
COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cc1OC
CCOc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)c2cc1F
CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4ccccc4)s3)ncnc2c1
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3ccccc23)cc1
COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
CN(C)CCCOc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1
CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F
CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
CCOc1cc2ncnc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F
CCOc1cc2ncnc(Nc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
CCOc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cc1F
CCOc1cc2c(NCCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ncnc2cc1F
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c2cc1F
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c2cc1F
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2cc1F
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2cc1F
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(Cl)ccc4OC)cc3)c2cc1F
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(ccc4OC)C(F)(F)F)cc3)c2cc1F
COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)N2CCN(C)CC2)cc(OC)c1
Fc1ccc(cc1)C(=O)N\N=C\c1coc2ccccc2c1=O
CN1CCN(CC1)c1nc(Nc2ccc3nc(C)n(CC=C)c3c2)c2ccccc2n1
Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C3CC3)cc(n2)N2CCN(C)CC2)on1
COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13|
COc1c(Nc2cc(C)[nH]n2)nc(Sc2ccc(cc2F)S(=O)(=O)Cc2cccc(c2F)[N+]([O-])=O)nc1N1CCOCC1
COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
Oc1cccc2C(=O)C=C(Cl)C(=O)c12 |t:8|
c1cc2c(c(c1)O)C(=O)C=CC2=O
CC1=C(Br)C(=O)c2ccccc2C1=O |c:1|
Oc1cc(CCl)c(O)c2C(=O)c3ccccc3C(=O)c12
c1cc(c2c(c1O)C(=O)C=CC2=O)O
Cc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3Oc4ccccc4CNc23)cn1
COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)c3NCc2c1
COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2cc1OC
COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccccc5)nc4)c3NCc2c1
COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)c3NCc2c1
COc1ccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2c1
CCN(CC)c1ccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2c1
COc1cc2CNc3c(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)ncnc3Oc2cc1OC
O=C(Nc1ncc(Nc2ncnc3Oc4ccccc4CNc23)cn1)c1ccccc1
COc1cccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc12
COc1ccc2CNc3c(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)ncnc3Oc2c1
COc1cccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccccc5)nc4)c3NCc12
COc1ccc2CNc3c(Nc4cnc(NC(=O)c5ccc(F)cc5)nc4)ncnc3Oc2c1
COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)ncnc3Oc2cc1OC
CC(C)n1cc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cn1
CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)c1scnc1C
CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)c1ccn[nH]1
CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)c1ccc[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(cc12)C(=O)N1CCCCC1
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br
CC(=O)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br
Fc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1
CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Cn1cc(cn1)NC(=O)c2cc(c[nH]2)C(=O)c3c(ccc(c3F)Cl)Cl
COc1cc2c(Nc3cnc(NC(=O)c4ccc(Cc5ccccc5)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCCCC1
CCCN(CCC)S(=O)(=O)c1ncc(cn1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OC[C@@H](O)CN1CCCCC1
Cc1ccc(cc1)S(O)(=O)=O.Cc1ccsc1C(=O)Nc1cc(CN2CCN(CC2)C(=O)CO)ccc1\C=C\c1n[nH]c2ccccc12
CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6
COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)c(F)c1
CC(C)(C)c1cc(NC(=O)Nc2ncc(CCNc3ncnc4[nH]c(cc34)-c3ccccc3)s2)no1
Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(=O)NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |c:11|
Cc1cc(ccc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(\C=C2/SC(=O)N(CC3(C)CCCCC3)C2=O)cc1
NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
NC(=O)c1cnc(Nc2cccc(O)n2)cc1Nc1ccccc1Cl
COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3
O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
FC(F)(F)c1cccc(Nc2nccc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1
c1cc(cc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F
CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:14|
Cc1cc(Nc2cc(nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)N2CCN(N)CC2)n[nH]1
O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(19.77,-1.9,;21.02,-1.01,;22.42,-1.66,;23.69,-.77,;23.53,.76,;22.14,1.41,;20.89,.52,;24.79,1.65,;26.19,1.01,;26.33,-.53,;27.44,1.9,;27.3,3.44,;28.55,4.33,;29.95,3.7,;30.1,2.15,;31.61,1.81,;32.4,3.14,;33.83,3.77,;33.68,5.31,;32.16,5.65,;31.37,4.31,;35.16,2.99,;35.15,1.44,;36.46,.66,;37.81,1.42,;37.82,2.96,;36.49,3.74,;39.13,.64,;39.12,-.9,;40.44,-1.67,;41.78,-.91,;43.11,-1.69,;41.78,.63,;40.46,1.4,;28.85,1.26,)|
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1
Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1
CCOc1ccc(cc1)[C@@H]1[C@](C)(N[C@@H](c2ccccc2)[C@@]1(C)[N+]([O-])=O)C(=O)OC |r|
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccccc1N
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1cccc(N)c1
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccc(N)cc1
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccccc1O
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1cccc(O)c1
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccc(O)cc1
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccccc1NC(=O)C=C
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1cccc(NC(=O)C=C)c1
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccc(NC(=O)C=C)cc1
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccc(C)c(NC(=O)C=C)c1
Cc1cc(Nc2nc(nc3cc(ccc23)N2CCOCC2)-c2cccc(NC(=O)C=C)c2)n[nH]1
Cc1cc(Nc2nc(nc3cc(ccc23)N2CCOCC2)-c2ccc(NC(=O)C=C)cc2)n[nH]1
CCC(=O)Nc1ccc(cc1)-c1nc(Nc2cc(C)[nH]n2)c2ccc(cc2n1)N1CCN(C)CC1
CN1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccc(OS(F)(=O)=O)cc1
CS(=O)(=O)N1CCc2cc(Nc3ncc(c(NCCCN)n3)C(F)(F)F)ccc2C1
CCNCc1cncc(C=Cc2c[nH]nc2-c2ncc([nH]2)C(F)(F)F)c1 |w:9.8|
COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(c1)C#N |w:17.20|
CCNC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:10.9|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cccnc1 |w:22.26|
COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:17.20|
CCNCc1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:9.8|
COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(OC)c1 |w:17.20|
FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:15.17|
COC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:9.8|
COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cnccc1C |w:17.20|
COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cccnc1 |w:17.20|
N#Cc1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:13.15|
FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:15.17|
CC(=O)O\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:6|
Oc1[nH]c2c(I)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O |(26.57,-40.82,;27.04,-39.35,;28.5,-38.87,;28.49,-37.34,;29.64,-36.32,;31.1,-36.79,;29.32,-34.82,;27.85,-34.35,;26.72,-35.37,;27.04,-36.86,;26.14,-38.11,;24.6,-38.11,;23.69,-39.38,;22.21,-38.9,;20.87,-39.67,;19.53,-38.9,;19.53,-37.35,;20.87,-36.58,;22.2,-37.35,;23.68,-36.86,;24.15,-35.38,;23.11,-34.25,)|
CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:4|
Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.25,;1.71,-1.79,;3.17,-1.31,;3.18,.23,;4.31,1.25,;5.78,.77,;3.99,2.75,;2.53,3.23,;1.39,2.2,;1.71,.71,;.81,-.54,;-.75,-.54,;-1.65,-1.79,;-3.12,-1.32,;-4.45,-2.1,;-5.79,-1.33,;-5.79,.22,;-4.46,.99,;-3.12,.22,;-1.66,.7,;-1.17,2.18,;-2.26,3.27,)|
Oc1[nH]c2c(F)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Oc1[nH]c2c(Cl)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.26,;1.73,-1.79,;3.19,-1.31,;3.18,.22,;4.32,1.24,;5.79,.77,;4,2.75,;2.53,3.22,;1.4,2.19,;1.72,.7,;.82,-.55,;-.72,-.55,;-1.62,-1.82,;-3.11,-1.34,;-4.45,-2.11,;-5.79,-1.34,;-5.78,.21,;-4.45,.98,;-3.11,.22,;-1.63,.7,;-1.16,2.17,;-2.25,3.26,)|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Cl |w:6.6,4.3|
CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2F
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2I
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Br |w:6.6,4.3|
CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Br
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F |w:6.6,4.3|
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2I |w:6.6,4.3|
CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Cl
CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C
Cc1cc(Nc2cc(N3CCNCC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
CN(C)c1ccc(cc1)-c1nc2nccc(C)c2[nH]1
COc1cc2ncnc(N3CCN(Cc4ccc(F)cc4)CC3)c2cc1OC
COc1ccccc1-c1nc2ncccc2[nH]1
C1CCN(C1)c1ccc(cc1)-c1nc2ncccc2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(C)cc2[nH]1
CN(C)c1ccc(cc1)-c1nc2nccc(Cl)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2cc[nH]cc2n1
COc1cc2ncnc(N3CCN(CC3)C(C)c3ccccc3)c2cc1OC |w:15.16|
CN(C)c1ccc(cc1)-c1nc2ncccc2[nH]1
CN(C)c1ccc(cc1)-c1nc2nccc(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
COc1cc2ncnc(N3CCN(CC(=O)N4CCCC4)CC3)c2cc1OC
COc1cccc(c1)-c1nc2ncccc2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)cc2[nH]1
COc1cc2ncnc(N3CCN(CC(=O)N(C)c4ccccc4)CC3)c2cc1OC
CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(Cl)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)C(F)(F)F
COc1cc2ncnc(N3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(CCc4ccccc4)CC3)c2cc1OC
C1CCC(NC1)c1ccc(cc1)-c1nc2ncccc2[nH]1
COc1ccc(cc1)-c1nc2ncccc2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cccc(c1)C(C)=O
COc1cc2ncnc(N3CCN(CC(=O)Nc4nccs4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(CCOc4ccccc4)CC3)c2cc1OC
CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cccc(O)c1
COc1ccc(cc1)-c1cnc2nc([nH]c2c1)-c1ccc(cc1)N(C)C
CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
CN(C)c1cccc(c1)-c1nc2ncccc2[nH]1
O=C(Nc1ccc2scnc2c1)c1cccc(-c2ccncc2)c1
COc1cccc(CNC(=O)c2cccc(-c3ccncc3)c2)c1
O=C(NCc1cc(F)cc(F)c1)c1cccc(-c2ccncc2)c1
O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccncc2)c1
O=C(O)c1cc(-c2cccc(Br)c2)nc2c(F)cccc12
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1
COc1ccc(CNC(=O)C(C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1
CC(Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCc1ccc2c(c1)OCO2
CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Clc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
CN(C)C(=O)c1cc2cnc(Nc3ccc(S(=O)(=O)N(C)C)cc3Cl)cc2[nH]1
CN(C)C(=O)c1cc2cnc(Nc3ccc(-c4cnn(C)c4)cc3Cl)cc2[nH]1
COC1CCN(C(=O)c2ccc(Nc3cc4[nH]c(C(=O)N(C)C)cc4cn3)c(Cl)c2)CC1
CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(C(=O)N(C)C)n3C(=O)OC(C)(C)C)c(Cl)c1
CN(C)C(=O)c1cc2cnc(Nc3ccc(-c4cncn4C)cc3Cl)cc2n1C(=O)OC(C)(C)C
N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)Nc6ccccc6N)cc5)c4)ncc3Cl)n2)CCOCC1
CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)cc1
Cc1c(C(=O)NS(=O)(=O)C2CC2)cc(-c2ccc(Cl)cc2)c2cc[nH]c12
Cc1c(C(=O)NS(=O)(=O)N(C)C)cc(-c2ccc(Cl)cc2)c2cc[nH]c12
Cc1c(C(=O)NS(=O)(=O)N(C)C)cc(-c2ccc(Cl)c(Oc3cnccn3)c2)c2cc[nH]c12
O=C(O)c1cc(O)cc(-c2ccc(OC(F)(F)F)cc2)c1
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
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
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,)|
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
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
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r|
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1cc2[nH]c3ncnc(Cl)c3c2cc1OC
COc1cc2[nH]c3ncnc(N4CCN(CC4)C(=S)Nc4ccc(cc4)S(=O)(=O)Nc4ncccn4)c3c2cc1OC
Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC(O)CO)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)C)c2ccccc12 |t:13|
CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|
CCCCNC(=O)c1cccc(NC(=O)CCCCCCNc2cc(N)ncn2)c1
CCCCCCNc1ncnc2nc[nH]c12
CCCCNC(=O)c1cccc(NC(=O)CCCCCNc2ncnc3nc[nH]c23)c1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
OC(=O)c1cccc2CNC(=O)c12
COC(=O)c1cccc2CNC(=O)c12
NC(=O)c1cccc2CNC(=O)c12
COc1ccc2nc([nH]c2c1)-c1cccc2CNC(=O)c12
O=C1NCc2cccc(-c3ccc[nH]3)c12
O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c12
O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c12
Oc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
COc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c12
O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
OCCCOc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
OC1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O
CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CNc1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
Cc1cc(Nc2cc(Nc3ccc(cc3)-c3nc4ccccc4s3)ccn2)[nH]n1
N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
COc1cc(Nc2ncnc3nc[nH]c23)ccc1-c1nc2ccccc2s1
Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC
COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC
Fc1cc(ccc1Nc1ncnc2ccsc12)-c1nc2ccccc2s1
N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2ccsc12
Cc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1Cl
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OC
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
COc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1-c1nc2ccccc2s1
Clc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1
COc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc[nH]c2n1
COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1
CN(C)c1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
CNc1nccc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
CNC(=O)c1cc(Nc2ccc(cc2)-c2nc3ccccc3s2)ccn1
CNc1cc(Nc2ccc(cc2)-c2nc3ccccc3s2)ccn1
N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
CNc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc(OC)c(OC)cc2n1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OC
CN1CCN(CC1)c1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
Cc1cc(Nc2ccnc(Nc3ccc(cc3)-c3nc4ccccc4s3)n2)[nH]n1
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
COc1cc(Nc2nccc(Nc3cc(C)n[nH]3)n2)ccc1-c1nc2ccccc2s1
Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1
FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
CC(=O)Nc1ccc(Sc2nc(Nc3cc(n[nH]3)C3CC3)c3ccccc3n2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1
CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)CC)cc2)n1
CN(C(C)=O)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C2CC2)cc1
Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)[nH]n1
CN(c1ccccc1)c1nc(Nc2cc(C)n[nH]2)c2ccccc2n1
Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1
COc1ccccc1Sc1nc(Nc2cc(C)n[nH]2)c2ccccc2n1
COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC
Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
CC(=O)Nc1ccc(Sc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
CC(=O)Nc1ccc(Sc2nccc(Nc3cc(C)n[nH]3)n2)cc1
CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)C2CC2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)C(C)(C)C)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2cccnc2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCC2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCCCC2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCOCC2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCNCC2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C(C)(C)C)cc1
Cc1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|
O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
COc1cc2ncnc(Nc3ccc(cc3O)-c3nc4ccccc4s3)c2cc1OC
COc1cc(ccc1Nc1ncnc2cc(OC)c(OC)cc12)-c1nc2ccccc2s1
COc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3O)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1
COc1cc2c(Nc3ccc(cc3OC(F)(F)F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1ccc2nc(sc2c1)-c1ccc(Nc2ncnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)cc1
COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(F)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3O)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc(ccc1Nc1ncnc2cc(OC)c(OCCCN3CCN(C)CC3)cc12)-c1nc2ccccc2s1
COc1cc2ncnc(Nc3ccc(cc3F)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc(ccc1-c1nc2ccccc2s1)N(C)c1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12
COc1cc2c(Oc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCCC1
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
CN(O)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3)nc-21
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
Cn1nc(C(=O)N(O)C2CCCCC2)c2CCc3cnc(NC4CCCC4)nc3-c12
NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccc1
Cn1nc(C(=O)N(O)Cc2ccccc2)c2CCc3cnc(NC4CCCC4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(NCCO)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccn4)nc3-c12
CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
NC(=O)c1nn(CCO)c-2c1CCc1cnc(NC3CCCC3)nc-21
Cn1nc(C(N)=O)c2CCc3cnc(N)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(NCCN4CCOCC4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(NCCN4CCCCC4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCCC4)nc3-c12
CCN1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
CC(CN(C)C)NC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
CN(C)CCN(C)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
CN1CCN(CC1)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1cnc(NC3CCCC3)nc-21
NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccn1
NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(NC3CCCC3)nc-21
CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCCC3)nc-21
CN1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(C)CC3)nc-21
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(C)=O)nc-21
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21
NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccc(cc1)S(N)(=O)=O
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
CC(=O)Nc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(cc4)S(C)(=O)=O)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccc4)nc3-c12
COc1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(C)(=O)=O)nc3-c12
CN1CCN(CC1)c1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(=O)(=O)c4ccccc4)nc3-c12
CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
COc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(Br)cc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccncc4)nc3-c12
CC(=O)N1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
CN1CCN(CC1)c1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(NCc4cccnc4)nc3-c12
COc1ccc(cc1)-n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)N3CCN(C)CC3)nc-21
CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(=O)NC
Clc1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
FC(F)(F)c1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
Fc1cc(CCNc2ncnc3ccsc23)ccc1Nc1nc2ccc(cc2[nH]1)C(F)(F)F
Clc1ccc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
FC(F)(F)c1ccc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
C(Cc1ccc(Nc2nc3ccccc3[nH]2)cc1)Nc1ncnc2ccsc12
FC(F)(F)c1ccc2nc(Nc3ncc(CCNc4ncnc5ccsc45)s3)[nH]c2c1
C(Cc1cnc(Nc2nc3ccccc3[nH]2)s1)Nc1ncnc2ccsc12
Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O
CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(-c5cc(C)cc(N)c5)c(C)c34)c2)CC1
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(C#N)c(C)c34)c2)CC1
O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
COc1ccc(OC)c(CC(=O)Nc2cc3c(\C=C\c4ccccc4)n[nH]c3cc2C)c1
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)c(C)c34)c2)CC1
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)cc34)c2)CC1
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4cc(C)c(NC(=O)Cc5cccs5)cc34)c2)CC1
CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(C)c(NC(=O)Cc4cccs4)cc23)c1
O=C(Cc1cccs1)Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1
Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
[O-][N+](=O)c1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
C(Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1)c1ccccn1
CN1CCN(CC1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NCc1ccccn1
C1CCN(C1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1-c1ccncc1
Cc1cc2[nH]nc(C#Cc3ccccc3)c2cc1NC(=O)Cc1cccs1
Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1cccs1
Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1ccccc1
O=C(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
O=C(Cc1ccccc1)Nc1ccc2[nH]nc(C3CC3c3ccccc3)c2c1
O=C(Cc1ccccc1)Nc1ccc2[nH]nc(CCc3ccccc3)c2c1
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4F)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4N)nc3-c12
CNc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CCOC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
CSc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1C(C)=O
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c(c1)C(C)=O
CN1CCN(CC1)c1ccc(C(C)=O)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
COc1cc(ccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(C)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
COC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(N)=O)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4S(N)(=O)=O)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4-c4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Oc4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Cc4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Nc4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(=O)c4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Sc4ccccc4)nc3-c12
CC(=O)Nc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21
NC(=O)c1[nH]nc-2c1CCc1cnc(Nc3ccccc3)nc-21
CC(=O)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
COc1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
NC(=O)c1nn(C2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
CC(=O)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c12
COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(C)n1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
NC(=O)c1nn(c-2c1CCc1cnc(Nc3ccccc3)nc-21)-c1ccccc1
NC(=O)c1nn(CCN2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(F)(F)F)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)C(F)(F)F)nc3-c12
CC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4[N+]([O-])=O)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c12
Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12
CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12
CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1
CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1
OC1CCN(CC1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
C(CN1CCOCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
C(Cc1cnc[nH]1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
CCOC(=O)CCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
C[C@@H](CO)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 |r|
OCCOCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
C(Cc1ccccn1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
COC1OC(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)(OC)C=C1 |c:34|
CC1CN(CC(C)N1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Oc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
C[C@@H](O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 |r|
Nc1ccc(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCc5ccc(cc5)NC(=O)Nc6ccccc6
O=C(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1
O=S(=O)(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1
O=C(CCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Nc1ccccc1
CC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1CCC(O)=O |w:8.7|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(Br)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)[N+]([O-])=O)[nH]c2CCCC(=O)c12 |w:7.6|
COc1cc(ccc1O)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:17.18|
COc1ccc(cc1OC)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:18.19|
CC(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
CCS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)CC=C)[nH]c2CCCC(=O)c12 |w:7.6|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccccc2)[nH]c2CCCC(=O)c12 |w:7.6|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccc(F)cc2)[nH]c2CCCC(=O)c12 |w:7.6|
NS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12|
CNS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13|
CN(C)S(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCOCC2)[nH]c2CCCC(=O)c12 |w:7.6|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6|
CCS(=O)(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCCC1 |w:6.5|
O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5|
CNC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
O=C(CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5|
O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2CCCC(=O)c2c1CCCN1CCCC1 |w:20.23|
CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:10.9|
CN(C)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:8.7|
CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:10.9|
CCOC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12 |w:9.8|
CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
OC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6|
OC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
CC1(C)Cc2[nH]c(C=C3C(=O)Nc4ccc(F)cc34)c(CCC(O)=O)c2C(=O)C1 |w:7.6|
[O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F
C[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r|
CC[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)Nc1ccccc1
C[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1)c1ccccc1 |r|
CC(C)NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC1CCc2ccccc12
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC(c1ccccc1)c1ccccc1
CCNC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC1CCCc2ccccc12
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC(C)(C)c1ccccc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NCc1ccccc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)N[C@H](CN1CCCC1)c1ccccc1 |r|
O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 |r|
O=C(NCc1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
CC[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1)c1ccccc1 |r|
N(c1ccccc1)c1nc(cn2ccnc12)-c1cccnc1
C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1
COc1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1
Clc1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1
CC(=O)Nc1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1
O=C(Nc1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1)c1ccccc1
COc1ccc(Nc2nc(cn3ccnc23)-c2ccn(C)n2)cc1
COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(N)c2)cc1
COCC(=O)Nc1cccc(c1)-c1cn2ccnc2c(Nc2ccc(OC)cc2)n1
COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(NC(=O)Nc3ccccc3)c2)cc1
COc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(Nc3ccc(OC)cc3)n2)cc1
COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1
COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(NS(=O)(=O)c3cccnc3)c2)cc1
Cc1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(cn12)-c1cccnc1
Brc1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(cn12)-c1cccnc1
C1CN(CCO1)c1ccc(Nc2nc(cn3c(cnc23)-c2cccnc2)-c2cccnc2)cc1
c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl
C[C@H]1CN(C[C@@H](C)O1)C1(CC1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1|
CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1|
CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1|
CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1|
COc1ccc(NC(=O)C2C(c3ccco3)n3c(nc4ccccc34)N=C2C)cc1 |c:28|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1|
COc1ccc(NC(=O)C2C(c3ccco3)c3cn[nH]c3N=C2C)cc1 |c:23|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1|
CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |c:13,t:1|
COc1ccc(NC(=O)C2C(c3cn[nH]c3N=C2C)c2ccccc2)cc1 |c:17|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccccc1 |t:1|
COc1ccc(NC(=O)C2C(c3cccs3)c3cn[nH]c3N=C2C)cc1 |c:23|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1cccs1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1cccs1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1|
CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10|
CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Clc1cccc(C(=O)N2CCN(Cc3cccc(Nc4nccs4)c3)CC2)c1Cl
Fc1c(cccc1C(F)(F)F)C(=O)N1CCN(Cc2cccc(Nc3ccn[nH]3)n2)CC1
Cc1ccc(cc1)-c1nnc(Nc2ccc(Oc3ncccc3-c3cn[nH]c3N)cc2)c2ccccc12
COc1ccc(cc1OC)-c1cc(C(=O)Nc2ccc(C)cc2C)c2c(n[nH]c2n1)-c1ccccc1
CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(nc2C)-c2ccc(Cl)cc2)c1
COc1ccc2cc([nH]c2c1)C(=O)C1CCC(CC1)C(C)C(=O)NCCC1=CCCCC1 |t:29,(-9.77,-30.03,;-9.8,-28.49,;-8.48,-27.7,;-7.13,-28.45,;-5.8,-27.66,;-5.83,-26.11,;-4.7,-25.05,;-5.36,-23.65,;-6.9,-23.84,;-7.19,-25.37,;-8.5,-26.16,;-4.62,-22.3,;-5.42,-20.98,;-3.08,-22.26,;-2.29,-23.58,;-.76,-23.55,;-.01,-22.2,;-.81,-20.88,;-2.35,-20.91,;1.53,-22.17,;2.27,-20.83,;2.32,-23.49,;1.58,-24.84,;3.86,-23.46,;4.66,-24.78,;6.2,-24.75,;6.99,-26.07,;8.53,-26.03,;9.32,-27.36,;8.57,-28.71,;7.03,-28.73,;6.24,-27.41,)|
COc1ccc(OCC(O)Cn2c(N=NCc3ccccc3O)nc3n(C)c(=O)[nH]c(=O)c23)cc1 |w:13.12|
CCOc1ccc2nc(Nc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1
Cc1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2N)cc1
CCOc1ccc(NC(=O)Cn2c(Nc3ccc(OCC)cc3)nc3n(C)c(=O)[nH]c(=O)c23)cc1
COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(C)cc1C
COc1ccc2sc(SCC(=O)Nc3ncc(Br)s3)nc2c1
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Brc1cnc2nc([nH]c2c1N1CCN(Cc2cscn2)CC1)-c1ccc(CN2CCOCC2)cc1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCNCC3)cc2)no1
CC(=O)c1cccc(c1)-c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN)cc2)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(CN)cc2)no1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(OCCO)cc2)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(OCCO)cc2)no1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCNCC2)no1
CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(Cn3cccn3)cc2)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(Cn3cccn3)cc2)no1
c1ccc(nc1)-c1ccc(cc1)-c1nc2ncccc2[nH]1
Brc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccccc1
Brc1cnc2nc[nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(C#N)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(C3CC3)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
CN(C)Cc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Clc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccc(CN2CCOCC2)cc1
CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4cccnc4)CC3)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)S(=O)(=O)c3ccccc3)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)c3ccccc3)c2[nH]1
CC(C)CN1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C
CC(N1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccncc1
CC(N1CCN(CC1)c1c(Cl)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccccc1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccncc4)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC4CC4)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4coc(n4)C(C)C)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4nccn4C)CC3)c2[nH]1
Brc1cnc2nc([nH]c2c1N1CCN(Cc2ccncc2)CC1)-c1ccc(CN2CCOCC2)cc1
Brc1cnc2nc([nH]c2c1N1CCN(Cc2cncnc2)CC1)-c1ccc(CN2CCOCC2)cc1
c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)no1
Cn1ccnc1CN1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(CN2CCOCC2)cc1
Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl
COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Oc1ccc(C2=CC(=O)c3c(O)cccc3C2=O)c(O)c1 |t:5|
Oc1ccc(C2=CC(=O)c3c(O)ccc(O)c3C2=O)c(O)c1O |t:5|
Oc1ccc(C2=CC(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(O)c1O |t:5|
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)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
C[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1 |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|
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
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)-c1ccccc1
COc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CCNc1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1
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)N1CCCC1
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|
C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
CC(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCCC1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
CC(C)C(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)c2C#N)cc1
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C)c2C#N)cc1
CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
C[C@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
CCCCCCSc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1
Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCN)n2)[nH]n1
Cc1cc(Nc2cc(C)c(C#N)c(NCCO)n2)[nH]n1
Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)[nH]n1
Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)[nH]n1
Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1
CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO
Cc1cc(Nc2nccn3c(cnc23)-c2cnn(C)c2)sn1
CC(C)c1cc(Nc2nccn3c(cnc23)-c2cnn(C)c2)sn1
Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCNCC3)nccn12
Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCN(CC3)S(C)(=O)=O)nccn12
Cc1nsc(Nc2nccn3c(cnc23)-c2cnn(C)c2)n1
Cc1csc(Nc2nccn3c(cnc23)-c2cnn(C)c2)n1
Cc1csc(Nc2nccn3c(cnc23)-c2cnn(C)c2)c1
CN(C)c1cccc(Nc2nccn3c(cnc23)-c2cnn(C)c2)c1
CN(C)S(=O)(=O)c1ccc(Nc2nccn3c(cnc23)-c2cnn(C)c2)cc1
CS(=O)(=O)N1CCC(CC1)c1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)sn1
O=S(=O)(N1CCOCC1)c1ccc(Nc2nccn3c(cnc23)-c2cn[nH]c2)cc1
Cc1cc(Nc2nc(CN3CCOCC3)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C(F)(F)F)sn1
Cc1cc(Nc2nc(CCN)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)sn1
Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C#N)sn1
Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)-c2cccnc2)sn1
Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)=O)sn1
Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)(=O)=O)sn1
CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
CN(C)CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Cc1cc(Nc2nc(SC(C)(C)C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C(=O)N2CCCC2)sn1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2cccc(C)c2)c1
COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
CCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
CCCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
CC(C)S(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
CN1CCN(CC1)c1cccc(c1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(c1)N1CCOCC1
O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(cc1)N1CCOCC1
O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(OCCN2CCCC2)cc1
O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(CN2CCOCC2)cc1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)nc(C)n1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nc(C)n1
CCCCS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2cc(nc(C)n2)N2CCN(C)CC2)[nH]n1
Cc1nc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc(n1)N1CCC(O)CC1
Cc1nc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc(n1)N1CCN(CCO)CC1
CN(C)CCNc1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)nc(C)n1
Cc1nc(NCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
Cc1nc(NCCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Cn1nc(C(=O)NCCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(N)=O)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NCCN(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NCCN(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC(CC3)N(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
CN1CCN(CC1)c1ccc(cc1)-c1cc2n(C)nc(N)c2c(=O)[nH]1
CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4
CN(C)CCN(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1)S(C)(=O)=O
CS(=O)(=O)N(CCN1CCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)nc1)S(C)(=O)=O
CS(=O)(=O)N(CCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CC(C)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1)S(C)(=O)=O
CS(=O)(=O)N(CCCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(CCCN1CCCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4
CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cccc23)n[nH]1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CCN4CCCCC4)cc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCOCC4)cc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCC[C@@H]4CO)cc23)[nH]n1 |r|
CN1CCN(CC1)C(=O)C(=O)Nc1cc2c(Nc3cc(C)n[nH]3)nc(Sc3ccc(NC(=O)C4CC4)cc3)nn2c1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@@H]4CO)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H]5C[C@H]5[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
CN(C)CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccn3n2)cc1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCOCC4)cc3)nn3cccc23)n[nH]1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CNC4CCCC4)cc3)nn3cccc23)n[nH]1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CNC4CC4)cc3)nn3cccc23)n[nH]1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cc(F)cc(F)c4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4F)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cccc(F)c4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C(C4)N=O)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1 |r|
CC(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r|
COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r|
CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C(F)(F)F)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](F)C4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](N)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]
COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
COc1ccc(Nc2nc(N)n(n2)-c2ccccn2)cc1OC
COc1ccccc1Nc1nc(N)n(n1)-c1ccccn1
Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Nc1nc(Nc2cc(ccc2F)N2CCOCC2)nn1-c1ccccn1
COc1cc(ccc1Nc1nc(N)n(n1)-c1ccc(cn1)C#N)N1CCOCC1
COc1ccccc1Nc1nc(N)n(n1)-c1cc(NCCN(C)C)ncn1
Nc1nc(Nc2ccccc2Cl)nn1-c1ccc(cn1)C#N
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
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](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
Cn1cc(cn1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
O=c1[nH]ccc2c(Cc3nnc4ccc(nn34)-c3ccccc3)cccc12
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1
Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1
Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O
Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1
CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12 |r|
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12 |r|
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O)[C@@H](C)O |r,wU:8.8,22.24,36.44,43.48,54.80,75.82,4.3,wD:64.73,58.63,(38.16,-16.42,;38.17,-14.87,;39.66,-14.47,;37.4,-13.53,;35.86,-13.54,;35.08,-12.21,;34.64,-9.81,;33.14,-9.8,;35.09,-8.4,;36.53,-7.83,;37.86,-8.61,;38.02,-10.14,;39.53,-10.46,;40.3,-9.13,;41.78,-8.82,;42.26,-7.37,;41.24,-6.22,;39.74,-6.54,;39.27,-7.99,;33.75,-7.6,;33.76,-6.06,;35.1,-5.31,;32.51,-5.39,;32.57,-3.85,;33.93,-3.12,;35.32,-3.79,;36.4,-2.68,;35.67,-1.31,;36.2,.13,;35.2,1.31,;33.68,1.04,;33.16,-.41,;34.15,-1.58,;31.1,-6.01,;29.77,-5.25,;29.77,-3.71,;28.43,-6,;27,-5.6,;26.16,-6.83,;27.08,-8,;28.48,-7.48,;29.76,-8.35,;31.14,-7.67,;29.75,-9.89,;28.4,-10.64,;27.07,-9.85,;25.72,-10.6,;24.39,-9.81,;23.03,-10.57,;21.71,-9.78,;23.01,-12.11,;31.08,-10.66,;31.07,-12.2,;32.4,-12.99,;29.73,-12.97,;29.72,-14.51,;28.38,-15.27,;27.06,-14.5,;28.38,-16.81,;27.04,-17.58,;29.71,-17.59,;31.04,-16.82,;32.46,-17.56,;33.79,-16.78,;35.12,-17.56,;35.88,-16.22,;35.1,-14.89,;33.56,-14.91,;35.89,-18.89,;37.43,-18.89,;35.12,-20.22,;35.89,-21.55,;35.13,-22.88,;35.89,-24.23,;33.59,-22.88,;28.39,-12.19,;27.05,-12.96,;27.29,-11.09,)|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r,wU:61.69,8.8,4.3,19.20,30.35,47.49,wD:37.39,43.73,(42.83,.75,;42.77,-.8,;44.08,-1.62,;41.41,-1.51,;41.35,-3.05,;39.94,-3.69,;38.6,-2.92,;38.6,-1.37,;37.27,-3.68,;35.92,-2.92,;35.91,-1.38,;37.24,-.6,;37.22,.94,;35.87,1.7,;34.55,.9,;34.57,-.64,;37.31,-5.17,;35.95,-5.94,;34.63,-5.16,;35.93,-7.51,;34.59,-8.27,;33.26,-7.48,;31.92,-8.24,;30.59,-7.46,;30.6,-5.92,;29.27,-5.14,;31.95,-5.16,;37.29,-8.3,;37.29,-9.84,;38.62,-10.61,;35.94,-10.61,;34.48,-10.14,;33.58,-11.39,;34.48,-12.63,;35.95,-12.15,;37.28,-12.92,;38.62,-12.15,;37.28,-14.47,;35.94,-15.23,;38.61,-15.24,;39.95,-14.47,;41.29,-15.24,;42.63,-14.47,;43.96,-15.24,;44.72,-13.91,;43.94,-12.57,;42.4,-12.58,;44.7,-11.24,;46.24,-11.23,;47.03,-12.55,;46.42,-13.96,;47.57,-14.99,;48.89,-14.2,;50.35,-14.67,;51.49,-13.63,;51.15,-12.13,;49.69,-11.68,;48.57,-12.7,;43.92,-9.9,;43.48,-7.49,;41.98,-7.47,;43.77,-6.03,;44.86,-5.16,;44.35,-3.84,;42.95,-3.93,;42.59,-5.27,;42.6,-3.74,;43.92,-2.95,;44.73,-16.58,;46.27,-16.58,;43.96,-17.92,;44.73,-19.26,;43.97,-20.59,;44.73,-21.93,;42.42,-20.59,)|
CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r|
[#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#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]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O |r|
CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r|
COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
CCN(CCO)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN(CCO)CC#C
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3ncc(SCc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCN1CCC(CCO)CC1
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
COc1cc2c(Nc3nc(CC(=O)Nc4cccc(F)c4)cs3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCNCCO
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(c4)N(C)C)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
COc1cc2c(Nc3ncc(s3)C(=O)Nc3ccc(F)cc3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3ncc(CNS(=O)(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
CCN(C(=O)Cc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1)c1ccccc1
COc1cc2c(Nc3ncc(CC(=O)Nc4ccccc4C(N)=O)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
COc1cc2c(Nc3ncc(CNC(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1cccc(NC(=O)Cc2cnc(Nc3ncnc4cc(OCCCN5CCC[C@H]5CO)c(OC)cc34)s2)c1
COc1cc2c(Nc3ncc(CC(=O)NCCC(C)C)s3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3ncc(C)s3)ncnc2cc1OCCCN1CCOCC1
CCCCc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1
COCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC
COc1cc2c(Nc3ncc([nH]3)C(=O)Nc3ccc(F)cc3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)o3)ncnc2cc1OCCCN1CCOCC1
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
CC(=O)Nc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1
COc1ccccc1CN1Cc2c(nc3cc([nH]n3c2=O)-c2ccco2)C1=O
COc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1
COc1ccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)cc1
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(O)c1c(F)cccc1F |w:17.19|
COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl
COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
COc1ccc2c(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)ccnc2c1
COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
COCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)(C)C)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
CCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC3CC3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3(C)CC3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCC3)c2cc1OC
COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1C(N)=O
COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23|
O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3|
OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
COc1cc2c(Nc3nc(cs3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3ccc(s3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1
COc1cc2c(Nc3ncc(s3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O
Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1
CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1
CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCCC2)cc1
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCCC2)cc1
CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1
CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCN1CCOCC1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCCN1CCN(C)CC1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCN1CCN(C)CC1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CN(C)C)cc12
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCO)cc12
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCN(C)C)cc12
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCS(C)(=O)=O)cc12
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCN3CCOCC3)cc12
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCCN3CCN(C)CC3)cc12
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1n[nH]cc1-c1ccnc2[nH]ccc12
CCn1ncc(c1-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
CC(C)(C)n1ncc(c1-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
CC(C)(C)n1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
FC(F)(F)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
OCCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
OCC(O)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
OCCCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nn(CC2CCCO2)cc1-c1ccnc2[nH]ccc12
NC(=O)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
CCNC(=O)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nn(CC(=O)N2CCOCC2)cc1-c1ccnc2[nH]ccc12
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]ccc12
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(NC(C)=O)c1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(NC(C)=O)cc1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cc(CN(C)C)ccc1C
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1C
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1
CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCNCC3)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)C(=O)Nc3ccccc3)c2[nH]1
CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccncc4)CC3)c2[nH]1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cccnc4)CC3)c2[nH]1
Brc1cnc2nc([nH]c2c1N1CCN(Cc2cccnc2)CC1)-c1ccc(CN2CCOCC2)cc1
CC(C)c1nc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)co1
COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cscn4)CC3)c2[nH]1
CN(C)Cc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)N2CCNCC2)no1
CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
CN1CCN(CC1)c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)N2CCN(Cn3cccn3)CC2)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)N2CCN(Cn3cccn3)CC2)no1
COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
O=C1NCCc2[nH]c(cc12)-c1ccncc1
Cc1cc(Nc2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(-c3ccc(C)cc3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(-c3cccc(C)c3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)[nH]n1
COc1ccc(cc1)-n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Cc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)[nH]n1
COc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
CC(C)n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
COc1cccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)c1
Cc1cc(Nc2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(Cc3cc(F)cc(F)c3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(Cc3ccc(cc3)S(C)(=O)=O)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(CC(F)(F)F)c(=O)c3ccccc23)[nH]n1
COc1ccc(cc1)C(=O)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Cc1cc(Nc2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)[nH]n1
CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
COc1cccc(c1)C(=O)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Cc1cc(Nc2nn(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3ccccc23)[nH]n1
CC(C)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Cc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(-c3ccc(cc3)C(C)(C)C)c(=O)c3ccccc23)[nH]n1
O=c1n(nc(Nc2n[nH]c3ccccc23)c2ccccc12)-c1ccccc1
Cc1cc(Nc2nn(Cc3ccncc3)c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(C)c(=O)c3ccccc23)[nH]n1
CC(=O)Nc1ccc(Cn2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
Cc1cc(Nc2n[nH]c(=O)c3ccccc23)[nH]n1
Cc1cc(Nc2nn(CC(=O)c3ccc(cc3)C(F)(F)F)c(=O)c3ccccc23)[nH]n1
Cc1ccc(cc1)-n1nc(Nc2ccn[nH]2)c2ccccc2c1=O
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
Clc1ccc(cc1)-c1c(cnc2ncnn12)S(=O)(=O)c1ccccc1
COc1ccc(cc1)-c1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
Brc1c(nn2c(-c3ccccc3)c(cnc12)S(=O)(=O)c1ccccc1)-c1ccccc1
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
O=S(=O)(c1ccccc1)c1cnc2cc(nn2c1-c1ccccc1)-c1ccccc1
Cc1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccccc1
Clc1ccc(cc1)-c1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CNC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r|
Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCCC1 |r|
COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CO |r|
COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r|
CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12
Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)C4)c3n2)cc1C(N)=O
Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O |THB:19:17:14:12.21.20,16:17:12:14.15.21,(-6.38,-15.11,;-7.29,-13.87,;-6.81,-12.4,;-8.06,-11.49,;-8.06,-9.95,;-6.73,-9.18,;-6.72,-7.63,;-5.39,-6.86,;-4.06,-7.63,;-2.59,-7.14,;-1.67,-8.38,;-2.58,-9.64,;-2.58,-11.18,;-3.92,-11.94,;-3.92,-13.48,;-2.58,-14.26,;-3.29,-13.44,;-2.59,-12.34,;-3.35,-12.69,;-2.07,-12.75,;-1.24,-11.94,;-1.25,-13.49,;-4.05,-9.17,;-5.39,-9.95,;-9.3,-12.39,;-8.83,-13.87,;-9.88,-15,;-11.39,-14.66,;-9.41,-16.47,)|
Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O
Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O
CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4F)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(O)=O)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ncco4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccc4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccccc4)c3)sn2)C1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)N2CCOCC2)c1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCCN(C)C)c3)sn2)C1
CN(C)C(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
CC(C)CCNC(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
CNC(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(N)=O)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(O)=O)c1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(Cc4nc5ccccc5[nH]4)c3)sn2)C1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccccc2F)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2cccc(F)c2)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccc(F)cc2)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2cccc(F)c2F)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2cc(F)cc(F)c2)c1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccc(c4)C(F)(F)F)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccc(cc4)C(F)(F)F)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccc(c4)N(C)C)c3)sn2)C1
COc1cccc(CNC(=O)Cn2cc(cn2)-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)c1
COc1ccc(CNC(=O)Cn2cc(cn2)-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cc1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccnc4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccncc4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccco4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccs4)c3)sn2)C1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2ccccc2F)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2ccc(F)cc2)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2F)c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cc(F)cc(F)c2)c1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4nccs4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NN4CC=CC=N4)c3)sn2)C1 |c:33,35|
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccn4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccnc4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NC4C=CN(O)C=C4)c3)sn2)C1 |c:32,36|
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4O)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccc(F)n4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccnc4F)c3)sn2)C1
CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC
O=C(Nc1ccccc1)c1cn(nc1-c1ccccc1)-c1ccccc1
Clc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Brc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
COc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
CCOc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
COc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
COc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Clc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
COc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
[O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
COc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Nc1ncc(cc1-c1nc2ccc(O)cc2o1)-c1cnn(c1)C1CCNCC1
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CN=O)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3ccn(C4CCCC4)c3n2)cn1C
CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CO)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(O)=O)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cncn4C)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4C)n(C4CCCC4)c3n2)cn1C
CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4ccnn4C)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cn1C
Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N
Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r|
Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1
Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5
COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)OCc2ccccc2)cc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Oc2ccccc2)cc1
O=C(Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)Oc1ccccc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)Oc2ccccc2)cc1
CCOC(=O)NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2ccccc2)cc1
O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)CC1
O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1)OCc1ccccc1
O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2cccnc2)cc1
O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)OCc1cccnc1
O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1)OCc1cccnc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2cc(C)on2)cc1
Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)no1
Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNS(=O)(=O)c2ccccc2)cc1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3cccnc3)cc2)nc(C)n1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3cc(C)on3)cc2)nc(C)n1
Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3cccnc3)cc2)cc(n1)N1CCN(CCO)CC1
Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(Nc3cc(nc(C)n3)N3CCN(CCO)CC3)[nH]n2)no1
Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)cc(n1)N1CCNCC1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)nc(C)n1
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c12
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)cc4)c3)c12
Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc4onc(N)c34)c2)cc1
Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(Cl)c4)c3)c12
Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccn4ncnc(N)c34)cc2)c1
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)c12
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccn4ncnc(N)c34)c2)cc1
Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)c12
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)NC4CCCC4)cc3)c12
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccsc4)cc3)c12
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Cc4cccc(F)c4)c3)c12
Nc1noc2cccc(C(=O)Nc3cccc(CC(=O)Nc4cccc(F)c4)c3)c12
Nc1noc2cccc(C(=O)Nc3cccc(CNS(=O)(=O)c4ccccc4)c3)c12
NCc1cccc(NC(=O)c2cccc3onc(N)c23)c1
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4F)c3)c12
Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c12
Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3cccc4onc(N)c34)cc2)cc1
Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)c1
Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1
Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c12
Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c12
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4)c3)c12
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16|
COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(F)(F)C4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NCC(F)(F)F)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)Nc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(O)CC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCOCC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCCCC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C4)C(=O)N4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)S(=O)(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)S(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)SC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(C4)C(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)NS(C)(=O)=O)cc3)nn3cccc23)n[nH]1 |r|
CC(C)C(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r|
CN1CCN(CCO[C@@H]2CCN(CC(=O)Nc3ccc(Sc4nc(Nc5cc(C)[nH]n5)c5cccn5n4)cc3)C2)CC1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r|
COCCO[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCO)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](O)C4)cc3)nn3cccc23)n[nH]1 |r|
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](O)C4)cc3)nn3cccc23)n[nH]1 |r|
CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2csnn2)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2nccn2C)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cc(C)on2)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccnn2C)no1
CN(C)CCOc1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccn(C)n2)no1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ncn(C)n4)CC3)c2[nH]1
CN1CCN(CC1)c1ccc(-c2nc3ncc(Cl)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)c(F)c1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccoc2)no1
CN(C)Cc1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cccc(CN3CCOCC3)c2)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cnn(CC(F)F)c2)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cnn(C)c2)no1
CCn1cc(cn1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ncon4)CC3)c2[nH]1
CC(C)n1cc(cn1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
C[C@H]1CN(CCN1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 |r|
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4cnccn4)CC3)c2[nH]1
CN1CCN(CC1)c1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2cncn2C)no1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C)no1
COCCN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
CN1CCN(CC1)c1ccc(cc1F)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
CC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCOCC2)no1
Cc1nonc1CN1CCN(CC1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C
CCN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C2CC2)no1
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2nc(C)oc2C)no1
CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
C1CCC(CC1)c1ncc2cnc3[nH]ccc3n12
C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
C1CCC(CC1)c1cnc2cnc3[nH]ccc3n12
C1CCC(CC1)c1nnc2cnc3[nH]ccc3n12
C1CCC(CC1)N1CCCc2cnc3[nH]ccc3c12
FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
C1CCC(CC1)c1noc2cnc3[nH]ccc3c12
Cn1nc(C2CCCCC2)c2c3cc[nH]c3ncc12
C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Oc1ccc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
Fc1cc(F)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Fc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(F)c1
Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c1F
FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Cc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Fc1cccc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
FC(F)(F)c1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Fc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)nc1)c1ccccc1
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4
CNc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
O=c1[nH]c2nccc(Nc3ccccc3)c2c2ccccc12
Nc1ccnc2[nH]c(=O)c3ccccc3c12
c1ccc2c(c1)-c3cccnc3NC2=O
Clc1ccnc2[nH]c(=O)c3ccccc3c12
COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Fc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Fc1cc(ccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)C(F)(F)F
Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
CCNC(=O)Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ccccc2)cc1
Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1
Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)cc(n1)N1CCNCC1
Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)cc(n1)N1CCN(CCO)CC1
Cc1cc(NC(=O)NCc2ccc(cc2)-c2cc(Nc3cc(nc(C)n3)N3CCN(CCO)CC3)[nH]n2)no1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)nc(C)n1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(C)on3)cc2)nc(C)n1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
CC(C)(C)c1cc(NC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)Nc2cc(C)on2)cc1
Clc1ccc(NC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1
Fc1ccc(NC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3ccccc3)cc2)CC1
O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1)Nc1ccccc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)CC1
Cc1cc(ccc1NC(=O)Nc1cc(on1)C(C)(C)C)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)no1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)c(Cl)c1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)c(C)c1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)cc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ncc(C)s2)cc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cccnc2)cc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ccccn2)cc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)N2CCCC2)cc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)NC2CC2)cc1
Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
[O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
[O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccccc2)o1
N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
[O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1
CC(=O)Nc1cc(ccn1)-c1nnc(SCc2cccc(c2)C#N)o1
C(Sc1nnc(o1)-c1ccncc1)c1ccc(cc1)-c1ccccc1
Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccncc3)cc2)c(c1)C#N
COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
[O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
[O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
C(Sc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(cc1)-c1ccccc1
CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O
Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O
CS(=O)(=O)c1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(SC)n1
Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(C)cc3[nH]2)n1
Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(C)n1
Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
CN(C)CCCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCOCC3)cc2)cc1
CN1CCN(CCOc2ccc(cc2)-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)CC1
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCCCC3)cc2)cc1
CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5
CCN(CC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
O=C(Nc1ccccc1)Nc1ccc(CCCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)c1
NC(=O)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
O=C(Nc1ccccc1)Nc1ccc(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
COc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3occ(-c4ccccc4)c23)cc1
CNC(=O)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
O=C(Nc1ccccc1)Nc1ccc(Nc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O
O=C(NCc1ccccc1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
O=C(NC1CCCCC1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccccc2)cc1
CCCCN(CCCC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
Fc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCCC3)cc2)cc1
CCN(CCO)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
CN(C)CCOc1cccc(c1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)c2)n(C)n1
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)n(C)n1
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1
Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5
Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
OC(=O)C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O
CC(=O)NC[C@@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r|
CC(=O)N[C@@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r|
CC(=O)N[C@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r|
COc1ccc(cc1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNC(C)=O)c1
CC(=O)NCc1cccc(c1)-c1c([nH]c2ncc(Cl)cc12)-c1cnn(C)c1
COc1ccc(cc1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNS(C)(=O)=O)c1
Cn1cc(cn1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNS(C)(=O)=O)c1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NC3CCC3)c2[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
Cc1cc(NC(=O)c2ccc(Oc3c(Cl)cnc4nc([nH]c34)-c3cn(C)nc3C)cc2)on1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3cccnc3)c2[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccncc3)c2[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Nc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)N3CCCC3)c2[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NCc3ccccc3)c2[nH]1
Clc1cnc2nc[nH]c2c1Oc1ccc(cc1)C(=O)Nc1ccccc1
Cc1nn(C)cc1-c1nc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
CN(Cc1ccccc1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C
CN(C[C@H]1CCCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C)S(C)(=O)=O |r|
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@@H](CNS(C)(=O)=O)C3)c2[nH]1 |r|
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@H](CNS(C)(=O)=O)C3)c2[nH]1 |r|
CC(C)n1cc(C2=C(C(=O)NC2=O)c2nn(CCCN3CCOCC3)c3ncccc23)c2ccccc12 |t:6|
Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCN3CCOCC3)c3ncccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCn3ccnc3)c3ncccc23)c2ccccc12 |t:4|
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCS(=O)(=O)CC3)cc2n1C(=O)OC(C)(C)C
CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1OC
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1C
CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(CC(F)(F)F)c1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC3)cc2n1C(=O)OC(C)(C)C
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(c1)C(F)F
COc1ccc(cc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1)C(F)(F)F
CN(C)S(=O)(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2n1C(=O)OC(C)(C)C
Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1
CN(C)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnco1
CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnco2)c(Cl)c1
COC1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
COC1CCN(CC1)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
COc1cc(ccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1)C(=O)N(C)C
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncnc3)cc2n1C(=O)OC(C)(C)C
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn(C)nc2C(F)(F)F)c(OC)c1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cncn1C
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)c(Cl)c1
CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5
C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
C(c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1)n1cccn1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnccn3)cc2n1C(=O)OC(C)(C)C
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cccnc3)cc2n1C(=O)OC(C)(C)C
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnco3)cc2n1C(=O)OC(C)(C)C
Cn1ccc(n1)-c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2[nH]1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2n1C(=O)OC(C)(C)C
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCS(=O)(=O)CC3)cc2[nH]1
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
COc1cc(OC)c(\C=C\C(=O)c2c(O)cccc2OC)c(OC)c1
OC(C(O)C(O)=O)C(O)=O.CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(\C=C\c2ccccc2)n1
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCNCC2)cc1
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2C[C@H](C)O[C@H](C)C2)cc1 |r|
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(C)(=O)=O)cc1
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
COC(=O)c1ccc(Nc2nc(NCCN3CCCCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
COC(=O)c1ccc(Nc2nc(NCCN3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C(O)=O)n1
CC(C)OC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
CNC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
COc1ccccc1Nc1nc(Nc2cc(C)[nH]n2)cc(n1)N1CCN(C)CC1
COc1cccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1
COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccccc2Cl)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(Cl)c2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)cc2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(NC(C)=O)cc2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)N2CCOCC2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)N2CC(=O)N(CC2=O)C2CC2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)[N+]([O-])=O)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(c2)[N+]([O-])=O)n1
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C#N)n1
Cc1cc(Nc2cc(nc(Nc3ccc(cc3)[N+]([O-])=O)n2)N2CCOCC2)n[nH]1
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1Cl
COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1
COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2CCC(Cc12)c1cn[nH]c1
CN(C)C[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
CN(C)CC[C@@H](c1cccc(Cl)c1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
CC12CC1Cc1c(C2)[nH]nc1C(=O)Nc1cnn(Cc2ccccc2)c1
CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
CN(C)CC[C@@H](c1cccc(C)c1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
CC1CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2CCCCc12
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2ccccc12
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3CC3Cc12
FC1(F)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
CC1(C)CCc2[nH]nc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](CCS(C)(=O)=O)c1ccccc1 |r|
CC1(CO)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(COC3)CCc12
CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCNCC1)c1ccccc1 |r|
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1cn[nH]c1
CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(CC3)CCc12
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(CCOC3)CCc12
O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1
CN1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1
CC1CCCCN1CCCOc1ccc2c(Nc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1
CC1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
O=C(NCc1ccccc1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1 |c:19,34,t:17,22|
CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1 |c:12,38,t:9,14|
CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1 |c:13,39,t:10,15|
OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1 |c:14,40,t:11,16|
OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1 |c:13,39,t:10,15|
O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1 |c:18,34,t:16,21|
CN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14|
O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1 |c:18,34,t:16,21|
CC1CCCCN1CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:15,40,t:12,17|
CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14|
O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1 |c:18,33,t:16,21|
CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:12,37,t:9,14|
CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:13,38,t:10,15|
OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:14,39,t:11,16|
OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:13,38,t:10,15|
COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1 |c:6,20,22,t:2|
Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O
c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
O=c1[nH]c2sccc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
O=c1[nH]c2sccc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 |r|
O=c1[nH]c2sccc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |(23.44,-23.73,;22.09,-23,;20.77,-23.8,;19.42,-23.07,;17.97,-23.59,;17.03,-22.37,;17.9,-21.1,;19.38,-21.53,;20.69,-20.72,;20.64,-19.19,;19.29,-18.45,;19.25,-16.91,;17.89,-16.18,;16.58,-16.99,;16.62,-18.53,;17.98,-19.26,;19.02,-17.66,;17.48,-17.66,;22.04,-21.46,;23.35,-20.65,;23.47,-19.11,;24.97,-18.75,;25.7,-17.4,;27.24,-17.35,;28.05,-18.66,;27.32,-20.02,;25.78,-20.06,;24.78,-21.24,)|
Clc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Clc1cc2c(NC3CN4CCC3CC4)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1 |(4.23,-18.7,;5.76,-18.7,;6.67,-17.45,;8.14,-17.93,;9.47,-17.17,;9.47,-15.63,;8.14,-14.86,;8.14,-13.33,;6.81,-12.56,;5.47,-13.32,;5.47,-14.86,;6.8,-15.64,;7.59,-13.93,;6,-13.93,;10.8,-17.93,;12.12,-17.17,;12.29,-15.63,;13.8,-15.32,;14.56,-13.99,;16.1,-13.99,;16.86,-15.32,;16.1,-16.65,;14.56,-16.65,;13.53,-17.79,;10.8,-19.47,;12.12,-20.24,;9.47,-20.24,;8.14,-19.47,;6.67,-19.95,)|
Brc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
COc1ccc2[nH]c(nc2c1)-c1c(N[C@H]2CCCNC2)c2cc(Cl)sc2[nH]c1=O |r|
COc1ccc2[nH]c(nc2c1)-c1c(NC2CN3CCC2CC3)c2cc(Cl)sc2[nH]c1=O |(4.33,-25.42,;5.88,-25.42,;6.65,-24.08,;5.88,-22.74,;6.65,-21.41,;8.18,-21.41,;9.22,-20.26,;10.63,-20.89,;10.47,-22.43,;8.96,-22.74,;8.18,-24.08,;11.97,-20.12,;13.3,-20.89,;13.3,-22.44,;14.63,-23.2,;14.63,-24.74,;15.96,-25.51,;17.29,-24.74,;17.29,-23.2,;15.96,-22.43,;15.15,-23.8,;16.74,-23.8,;14.63,-20.12,;16.1,-20.6,;17.01,-19.35,;18.55,-19.35,;16.1,-18.11,;14.63,-18.58,;13.3,-17.81,;11.97,-18.58,;10.63,-17.81,)|
O=c1[nH]c2ccsc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
COc1cc(OC)cc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cc(OC)cc(OC)c2)c1
Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1ccc(cc1)C#N
COc1cc(OC)c(cc1Cl)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1cccc(Cl)c1
COC(=O)c1ccc(cc1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1ccsc1
CC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
COC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
COC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:27|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]cc1N2 |c:5|
COC(=O)c1csc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:27|
Nc1nc(O)c2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc2n1 |t:25|
NC(=O)c1[nH]nc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:26|
CCOC(=O)c1[nH]nc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1n[nH]cc1N2 |c:5|
O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1cn[nH]c1N2 |c:5|
O=C1CNCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]nc1N2 |c:5|
Clc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1Cl |c:21|
COc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1 |c:22|
Clc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1 |c:21|
O=C1CNCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2ccccc2)c1 |c:5|
Clc1cc(Cl)cc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)c1 |c:23|
c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F
CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5
CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1ccnc(Sc2nc3ccccc3[nH]2)c1 |t:10|
CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)n1 |t:10|
CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:10|
CCOC(=O)c1[nH]cc2C(c3cc(Sc4nc5ccccc5[nH]4)cs3)C3=C(CCCC3=O)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3cnc(Sc4nc5ccccc5[nH]4)s3)C3=C(CCCC3=O)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)s3)C3=C(CCCC3=O)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(Cc4ccccc4)CC3=O)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)OC(C)(C)C)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CC(C)(C)CC3=O)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12
CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC)CC3=O)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(O)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccnc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(Cl)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)c(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:31|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccc(F)c(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CNCC3=O)Nc12
OC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:26|
CN(C(=O)c1ccccc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
CN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
CN(C(=O)Nc1ccccc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1
COc1cc(ccc1Nc1ncc(F)c(NC2CCCC2)n1)C(=O)NC1CCN(C)CC1
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
O=C(CC1(CCCCC1)N1CCOCC1)Nc1ccc2[nH]nc(-c3ccc(cc3)N3CCOCC3)c2c1
O=C(NCC1(CCCCC1)N1CCOCC1)c1ccc2[nH]nc(-c3ccc(cc3)N3CCOCC3)c2c1
CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)C(C3CCCC3)c3ccsc3)cc12
CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CCCC1)c1ccsc1
CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)C(C3CCCC3)c3ccccn3)cc12
CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CCCC1)c1ccccn1
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(n1)N1CCC(N)CC1
CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
Cc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)s2)no1
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)OCc3ccccc3)cc2)nc(C)n1
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(on3)C3CC3)cc2)nc(C)n1
CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
CCCCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(C)on3)cc2)nc(C)n1
Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1
CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CCCO3)n2)ccc2[nH]cnc12
CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CCC(=O)C2)n1
COCC(C)c1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1
CN(Cc1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1)C(C)=O
CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@@H]2CCN(C)C2=O)n1 |r|
CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r|
CN1CC[C@@H](C1=O)c1cc(Nc2ccnc(NC[C@H]3CC[C@H](N)CC3)n2)n[nH]1 |r,wU:18.18,4.7,wD:21.22,(3.92,-10.74,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,-.77,;2.72,-3.21,;3.76,-4.35,)|
CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:3.2,21.22,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|
CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:4.3,22.23,wD:7.7,(-3.74,3.69,;-2.68,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|
CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2CCCN(C)C2=O)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.17,-7.12,;5.9,-8.48,;5.1,-9.79,;3.56,-9.75,;2.91,-10.8,;2.82,-8.4,;1.59,-8.37,;-1.33,-.77,)|
CCN1CC[C@@H](C1=O)c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,5.8,wD:24.26,(4.87,-11.79,;3.88,-11.04,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)|
C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,7.8,wD:24.26,1.0,(1.74,-8.68,;2.96,-8.46,;4.08,-9.51,;5.43,-8.77,;6.54,-9.3,;5.14,-7.26,;5.98,-6.36,;3.62,-7.09,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)|
CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2C(=O)N(C)CC2(C)C)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.98,-6.36,;5.43,-8.77,;6.54,-9.3,;4.08,-9.51,;2.96,-8.46,;2.17,-7.51,;2.56,-9.62,;-1.33,-.77,)|
CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(cc3)C(O)=O)nc2-c2ccc(Cl)cc12 |t:10|
OC(=O)c1ccc(Nc2ncc3CN=C(c4ccccc4F)c4cc(Cl)ccc4-c3n2)cc1 |t:13|
Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6|
COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCNC(=O)[C@@]3(Cc4cccc(Nc5nccs5)n4)CC[C@@H](CC3)Oc3cccc(Cl)c3F)C(N)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:56.58,39.41,wD:72.80,28.29,24.24,(-6.4,.92,;-5.34,1.54,;-5.34,2.77,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.84,;1.35,-5.38,;.03,-6.16,;-1.31,-5.4,;-1.32,-3.86,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;.04,-7.7,;-1.02,-8.33,;1.38,-8.46,;1.39,-10,;2.74,-10.76,;2.75,-12.3,;4.09,-13.06,;4.1,-14.6,;5.44,-15.36,;5.46,-16.9,;4.4,-17.53,;6.8,-17.66,;8.12,-16.88,;8.11,-15.34,;9.43,-14.55,;9.41,-13.01,;8.07,-12.26,;6.75,-13.04,;6.77,-14.58,;6.81,-19.2,;8.15,-19.96,;9.21,-19.34,;8.17,-21.5,;6.84,-22.28,;5.5,-21.52,;4.17,-22.3,;2.83,-21.53,;2.82,-19.99,;4.15,-19.22,;5.49,-19.98,;9.51,-22.26,;9.52,-23.8,;8.46,-24.43,;10.86,-24.56,;10.88,-26.1,;12.22,-26.86,;12.23,-28.4,;13.57,-29.16,;14.63,-28.54,;13.58,-30.7,;14.93,-31.46,;16.25,-30.68,;16.24,-29.14,;17.56,-28.36,;18.91,-29.11,;18.92,-30.65,;20.27,-31.41,;21.59,-30.62,;21.71,-29.1,;23.21,-28.76,;24,-30.08,;22.99,-31.24,;17.6,-31.44,;13.64,-32.22,;12.31,-33,;10.97,-32.24,;10.95,-30.7,;12.28,-29.92,;9.64,-33.03,;9.66,-34.57,;11,-35.32,;11.02,-36.86,;9.7,-37.65,;8.35,-36.9,;7.29,-37.52,;8.33,-35.36,;7.26,-34.75,;2.77,-15.38,;2.78,-16.61,;1.7,-14.77,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;5.33,1.54,;6.4,.93,;5.33,2.78,)|
CN(C)c1ccc2C(C3C=CC(C=C3Oc2c1)=[N+](C)C)c1ccc(cc1C(O)=O)C(=O)NCCCC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)N=[N+]=[N-])NC(=O)CCCCCNC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F)C(N)=O |r,c:9,12|
CCN1\C(=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)CCNC(=O)[C@@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:139.142,73.75,106.108,95.97,51.53,wD:120.123,62.64,40.42,36.37,84.86,155.164,c:7,(33.39,-23.49,;32.18,-23.73,;31.69,-25.19,;32.56,-26.41,;34.1,-26.39,;34.88,-27.72,;36.42,-27.71,;37.21,-29.03,;38.71,-29.16,;39.71,-27.99,;39.3,-26.83,;39.07,-30.65,;40.43,-31.38,;40.46,-32.94,;39.15,-33.74,;37.78,-32.99,;37.76,-31.45,;36.6,-30.45,;36.26,-31.63,;35.78,-29.54,;39.2,-35.27,;40.28,-35.86,;38.15,-35.92,;39.24,-36.51,;31.68,-27.66,;30.85,-28.57,;33.18,-27.94,;33.72,-29.38,;32.73,-30.57,;33.27,-32.01,;34.48,-32.22,;32.28,-33.2,;32.82,-34.64,;31.83,-35.83,;32.37,-37.27,;31.38,-38.46,;31.92,-39.9,;30.93,-41.09,;31.47,-42.53,;32.68,-42.74,;30.48,-43.72,;28.97,-43.46,;27.98,-44.65,;26.46,-44.39,;25.48,-45.58,;23.96,-45.32,;23.53,-44.17,;23.18,-46.27,;31.02,-45.16,;30.03,-46.35,;28.82,-46.14,;30.57,-47.79,;32.09,-48.05,;33.07,-46.86,;34.59,-47.12,;35.57,-45.93,;37.09,-46.19,;37.52,-47.34,;37.87,-45.24,;29.58,-48.98,;30.12,-50.42,;31.33,-50.63,;29.14,-51.61,;27.62,-51.35,;26.63,-52.54,;25.12,-52.28,;24.13,-53.47,;22.62,-53.21,;22.19,-52.06,;21.83,-54.16,;29.67,-53.05,;28.69,-54.24,;27.47,-54.03,;29.22,-55.68,;30.74,-55.94,;31.27,-57.39,;32.79,-57.65,;33.32,-59.1,;34.84,-59.36,;35.62,-58.41,;35.19,-60.32,;28.24,-56.87,;28.77,-58.31,;29.98,-58.52,;27.79,-59.5,;26.27,-59.24,;25.29,-60.43,;23.77,-60.17,;22.79,-61.36,;21.27,-61.1,;20.84,-59.95,;20.48,-62.05,;28.32,-60.94,;27.34,-62.13,;26.12,-61.92,;27.87,-63.57,;29.39,-63.83,;30.37,-62.64,;31.89,-62.9,;32.87,-61.71,;34.39,-61.97,;34.82,-63.12,;35.05,-61.18,;26.89,-64.76,;25.37,-64.5,;24.94,-63.34,;24.39,-65.68,;24.92,-67.13,;26.44,-67.38,;27.42,-66.19,;28.94,-66.45,;29.48,-67.89,;28.5,-69.08,;26.98,-68.82,;31,-68.14,;31.98,-66.95,;32.76,-66,;22.87,-65.43,;21.88,-66.61,;22.31,-67.77,;20.37,-66.35,;19.83,-64.91,;18.31,-64.65,;17.78,-63.21,;16.26,-62.95,;15.27,-64.14,;15.81,-65.58,;17.33,-65.84,;13.76,-63.87,;13.23,-62.43,;12.8,-61.27,;19.38,-67.54,;17.86,-67.28,;17.51,-66.32,;16.88,-68.47,;15.36,-68.21,;14.38,-69.39,;12.86,-69.13,;12.43,-67.98,;11.88,-70.32,;10.36,-70.06,;9.82,-68.62,;10.81,-67.43,;10.27,-65.99,;8.76,-65.73,;7.77,-66.91,;6.25,-66.66,;5.27,-67.84,;3.75,-67.73,;3.18,-69.16,;4.37,-70.14,;5.67,-69.31,;8.31,-68.36,;13.38,-70.54,;13.91,-71.98,;12.93,-73.17,;11.41,-72.91,;10.88,-71.46,;13.47,-74.61,;14.99,-74.87,;15.97,-73.68,;17.49,-73.93,;18.03,-75.37,;17.05,-76.56,;17.48,-77.71,;15.53,-76.31,;14.75,-77.26,;33.44,-40.16,;33.86,-41.31,;34.22,-39.21,;30.22,-27.19,;28.89,-27.97,;27.55,-27.18,;27.55,-25.65,;28.9,-24.86,;30.23,-25.65,;26.21,-27.94,;26.2,-29.17,;25.15,-27.32,;25.14,-28.55,)|
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CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3ccc(cc3)N=[N+]=[N-])NC(=O)[C@H](Cc3ccc(cc3)N=[N+]=[N-])NC(=O)CCCNC(=O)[C@@]3(Cc4cccc(Nc5nccs5)n4)CC[C@@H](CC3)Oc3cccc(Cl)c3F)C(N)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:62.64,42.44,wD:78.86,28.29,24.24,(-6.4,.92,;-5.34,1.54,;-5.34,2.77,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.84,;1.35,-5.38,;.03,-6.16,;-1.31,-5.4,;-1.32,-3.86,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;.04,-7.7,;-1.02,-8.33,;1.38,-8.46,;1.39,-10,;2.74,-10.76,;2.75,-12.3,;4.09,-13.06,;4.1,-14.6,;5.44,-15.36,;5.46,-16.9,;4.4,-17.53,;6.8,-17.66,;8.12,-16.88,;8.11,-15.34,;9.43,-14.55,;9.41,-13.01,;8.07,-12.26,;6.75,-13.04,;6.77,-14.58,;8.05,-10.72,;6.71,-9.96,;5.63,-9.36,;6.81,-19.2,;8.15,-19.96,;9.21,-19.34,;8.17,-21.5,;6.84,-22.28,;5.5,-21.52,;4.17,-22.3,;2.83,-21.53,;2.82,-19.99,;4.15,-19.22,;5.49,-19.98,;1.49,-19.23,;1.48,-17.69,;1.48,-16.45,;9.51,-22.26,;9.52,-23.8,;8.46,-24.43,;10.86,-24.56,;10.88,-26.1,;12.22,-26.86,;12.23,-28.4,;13.57,-29.16,;14.63,-28.54,;13.58,-30.7,;14.93,-31.46,;16.25,-30.68,;16.24,-29.14,;17.56,-28.36,;18.91,-29.11,;18.92,-30.65,;20.27,-31.41,;21.59,-30.62,;21.71,-29.1,;23.21,-28.76,;24,-30.08,;22.99,-31.24,;17.6,-31.44,;13.64,-32.22,;12.31,-33,;10.97,-32.24,;10.95,-30.7,;12.28,-29.92,;9.64,-33.03,;9.66,-34.57,;11,-35.32,;11.02,-36.86,;9.7,-37.65,;8.35,-36.9,;7.29,-37.52,;8.33,-35.36,;7.26,-34.75,;2.77,-15.38,;2.78,-16.61,;1.7,-14.77,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;5.33,1.54,;6.4,.93,;5.33,2.78,)|
COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
[H][C@@]1(CNC(=O)O1)[C@@H](C)Oc1nc(cc2ncsc12)-c1cnn(c1)C(F)F |r|
[H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1cc(cc2nscc12)-c1cnn(C)c1 |r|
[H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1nc(cc2nscc12)-c1cnn(C)c1 |r|
CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O
CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-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,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-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,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-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,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)ccn3)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ccccn3)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)[nH]n3)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncnc4ccsc34)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncnc4ccsc34)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3nc4ccccc4o3)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncccn3)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncccn3)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)on3)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ccccc3)nn2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2ccc3OCOc3c2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2ccc3nccnc3c2)c1
COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cccc(c2)[N+]([O-])=O)c1
CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCN(CC3)C(=O)C=C)nc12
CNC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
Cc1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O
Oc1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1CC1CCCCC1
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
CCN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(CC)cc1
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccccc3)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)-c3nnn[nH]3)c2)C(=O)N1C
CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(C)(C)C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1CCOC
CCCCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
OC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
CCc1cccc(c1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
O=c1[nH]c2ccccc2n1-c1nc2ccccc2[nH]1
Cc1cccc2[nH]c(nc12)-n1c2ccccc2[nH]c1=O
FC(F)(F)c1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O
Oc1cccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c12
Clc1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
CNC(=O)c1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(C)c(C)c1
CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(F)(F)F
CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(Br)cc1
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(N)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCN)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CC(O)=O)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCC(O)=O)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)C(O)=O)c2)C(=O)N1C
CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccccc1
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccccn3)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1\NC(=O)\C(S1)=C\c1ccncc1
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(CO)cc3)c2)C(=O)N1C
CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(N)c2)C(=O)N1C
c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O
Brc1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O
Clc1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
OC(=O)c1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
CCc1ccc(cc1)\N=C1\SC2(CC2c2ccnc(N)c2)C(=O)N1C
CCCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCCC(O)=O)c2)C(=O)N1C
CCc1ccccc1\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
CCc1ccc(cc1)\N=C1/SC2(CC2c2ccnc(N)c2)C(=O)N1C
CC(C)c1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
Oc1cccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c12
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ccccc3)cc12
COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
CCOC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Nc1cccc(c1)-c1n[nH]c2ccccc12
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc12
OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
OC(=O)\C=C\C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
CCNC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Cc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
COC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
CC(C)OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc12
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NCc3ccccc3)cc12
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12
C=CC(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
CCOC(=O)\C=C\C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2cc(NS(=O)(=O)c3ccccc3)ccc12
NC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
CC#CC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccncc3)n2)n[nH]1
CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3Cl)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3C)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3)n2)n[nH]1
CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(c2)C(F)(F)F)c1
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
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
COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O