2072 SMILES Strings for Tyrosine-protein kinase ITK/TSK

Compound Name
SMILES String
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)-c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)-c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc4ccccc34)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc4ccccc4c3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccsc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cscn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cncs3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ncco3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cocn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cnco3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=O)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=O)nc2c1
CC(C)C(=O)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(=O)c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Oc4ccccc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(OCc4ccccc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccccn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cccnc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccncc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ncco3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cocn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3nccs3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3csc(N)n3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnccn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCCC3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCCCC3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCNCC3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCOCC3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccnc(c3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccnc(F)c3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccc(nc3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccc(F)nc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cncc(c3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=C)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=CC#N)s3)nc2c1 |w:28.28|
COC(=O)C=Cc1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1 |w:5.5|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccccc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccccn4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccnc4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccncc4)s3)nc2c1 |w:28.28|
COc1ccccc1\C=C\c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
COc1cccc(\C=C\c2ccc(s2)C(=O)Nc2nc3cc(ccc3n2CCC(N)=O)N(C)C(=O)c2ccccc2)c1
COc1ccc(\C=C\c2ccc(s2)C(=O)Nc2nc3cc(ccc3n2CCC(N)=O)N(C)C(=O)c2ccccc2)cc1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccccc4C(F)(F)F)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4cccc(c4)C(F)(F)F)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(cc4)C(F)(F)F)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccccc4N)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(N)c4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(N)cc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(c4)[N+]([O-])=O)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(O)cc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cnccn4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\n4ccnc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cn[nH]c4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(N)n4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ncc(N)cn4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=C)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=CC#N)nc2c1 |w:31.33|
COC(=O)C=C(C)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1 |w:4.3|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(\C)=C\c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=Cc3cccnc3)nc2c1 |w:31.33|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=Cc3ccncc3)nc2c1 |w:31.33|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
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
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23
CN(C)C\C=C\C(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23.26,wD:26.33,(-8.87,3.22,;-8.1,1.89,;-8.87,.55,;-8.1,-.78,;-6.56,-.78,;-5.79,.55,;-4.28,.87,;-4.12,2.4,;-5.53,3.03,;-5.93,4.52,;-4.84,5.61,;-5.24,7.1,;-6.72,7.49,;-7.12,8.98,;-6.03,10.07,;-4.55,9.67,;-3.46,10.76,;-3.86,12.25,;-5.34,12.65,;-6.43,11.56,;-7.81,6.4,;-7.41,4.92,;-6.56,1.89,;-2.95,.1,;-1.62,.87,;-.28,.1,;-.28,-1.44,;-1.62,-2.21,;-2.95,-1.44,;1.05,-2.21,;2.39,-1.44,;2.39,.1,;3.72,-2.21,;5.05,-1.44,)|
CN(C)C\C=C\C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CC#CC(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC#CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC#CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CN(C)C\C=C\C(=O)N[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,wD:9.8,(5.67,1.62,;4.9,.28,;5.67,-1.05,;3.36,.28,;2.59,-1.05,;1.05,-1.05,;.28,-2.39,;1.05,-3.72,;-1.26,-2.39,;-2.03,-1.05,;-1.26,.28,;-2.03,1.62,;-3.57,1.62,;-4.34,.28,;-3.57,-1.05,;-4.34,2.95,;-3.79,4.39,;-4.98,5.36,;-4.98,6.9,;-3.65,7.67,;-3.65,9.21,;-4.98,9.98,;-4.98,11.52,;-3.65,12.29,;-2.32,11.52,;-.98,12.29,;-.98,13.83,;-2.32,14.6,;-3.65,13.83,;-6.32,9.21,;-6.32,7.67,;-6.27,4.52,;-7.76,4.92,;-8.16,6.4,;-8.85,3.83,;-8.45,2.34,;-6.97,1.94,;-5.88,3.03,)|
CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)\C=C\CN1CCOCC1
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)\C=C\CN3CCOCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:9.12,6.5,(4.06,2.48,;3.67,1,;3.27,-.49,;2.87,-1.98,;3.96,-3.07,;1.38,-2.38,;.29,-1.29,;-1.2,-1.69,;-2.28,-.6,;-1.89,.89,;-.4,1.29,;.69,.2,;-2.98,1.98,;-2.42,3.42,;-3.62,4.39,;-3.62,5.93,;-2.29,6.7,;-2.29,8.24,;-3.62,9.01,;-3.62,10.55,;-2.29,11.32,;-.95,10.55,;.38,11.32,;.38,12.86,;-.95,13.63,;-2.29,12.86,;-4.95,8.24,;-4.95,6.7,;-4.91,3.55,;-6.4,3.95,;-6.8,5.43,;-7.49,2.86,;-7.09,1.37,;-5.6,.97,;-4.51,2.06,)|
Nc1ncnc2n(CCNC(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCOCC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)\C=C\CN1CCOCC1 |r,wU:23.26,26.33,(-9.32,6.4,;-8.92,4.92,;-10.01,3.83,;-9.61,2.34,;-8.12,1.94,;-7.03,3.03,;-5.49,2.95,;-4.94,4.39,;-6.14,5.36,;-6.14,6.9,;-4.8,7.67,;-4.8,9.21,;-6.14,9.98,;-6.14,11.52,;-4.8,12.29,;-3.47,11.52,;-2.14,12.29,;-2.14,13.83,;-3.47,14.6,;-4.8,13.83,;-7.47,9.21,;-7.47,7.67,;-7.43,4.52,;-4.72,1.62,;-5.49,.28,;-4.72,-1.05,;-3.18,-1.05,;-2.41,.28,;-3.18,1.62,;-2.41,-2.39,;-.87,-2.39,;-.1,-3.72,;-.1,-1.05,;1.44,-1.05,;2.21,.28,;3.75,.28,;4.52,1.62,;6.06,1.62,;6.83,.28,;6.06,-1.05,;4.52,-1.05,)|
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc4ccccc4[nH]3)c2n1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2(CC2)C#C)c1
CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1
CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
FCC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)CF)c1
COc1c(F)cccc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CCN(CC)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CCOC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(C)c2c1
CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1
CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
CN(C)\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
CN(C)\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(cc12)-c1ccc(Cl)c(NC(=O)C=C)c1
CC\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
C=CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)n1
Fc1ccc(cc1NC(=O)C=C)-c1cnc2[nH]ccc2c1
Fc1ccc(cc1NC(=O)C=C)-c1cnc2[nH]cc(Cl)c2c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc4ccccc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
O=C(Nc1cccc(n1)-c1cnc2[nH]ccc2c1)C#C
CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1
CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(Cl)c2c1
CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1
CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(Cl)c2c1
Fc1ccc(cc1NC(=O)C#C)-c1cnc2[nH]ccc2c1
Fc1ccc(cc1NC(=O)C#C)-c1cnc2[nH]cc(Cl)c2c1
CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1
CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(Cl)c2c1
CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1
CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(Cl)c2c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1
CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(C)c2c1
CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(C)c2c1
Cc1c[nH]c2ncc(cc12)-c1ccc(F)c(NC(=O)C#C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F
COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN(C)C)c1
COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(C)c3F)c2c1
Cc1cccc(-c2c[nH]c3ncc(cc23)-c2cccc(NC(=O)C=C)c2)c1F
C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r|
CN(C)C\C=C\C(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,(5.41,-.16,;4.32,-1.25,;4.72,-2.74,;2.83,-.85,;1.74,-1.94,;.25,-1.54,;-.84,-2.63,;-.44,-4.12,;-2.32,-2.23,;-2.72,-.74,;-1.63,.35,;-2.03,1.83,;-3.52,2.23,;-4.61,1.14,;-4.21,-.35,;-3.92,3.72,;-3.01,4.96,;-3.92,6.21,;-3.44,7.68,;-4.47,8.82,;-4,10.28,;-2.49,10.6,;-2.01,12.07,;-3.05,13.21,;-4.55,12.89,;-5.58,14.04,;-5.11,15.5,;-3.6,15.82,;-2.57,14.68,;-1.46,9.46,;-1.94,8,;-5.38,5.73,;-6.72,6.5,;-6.72,8.04,;-8.05,5.73,;-8.05,4.19,;-6.72,3.42,;-5.38,4.19,)|
C=CC(=O)NC1CN(C1)c1cnc2[nH]cc(-c3ccccc3)c2c1 |$;;;;HN;;;;;;;;;;;;;;;;;;;$|
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)N1CC(C1)NC(=O)C=C |$;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
COc1ccc(cn1)-c1c[nH]c2ncc(cc12)N1CC(C1)NC(=O)C=C |$;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
Cc1cc(ccn1)-c1c[nH]c2ncc(cc12)N1CC(C1)NC(=O)C=C |$;;;;;;;;;;;;;;;;;;;;HN;;;;$|
C=CC(=O)NC1CN(C1)c1cnc2[nH]cc(-c3ccnc(c3)C#N)c2c1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
NC(=O)C(=C\c1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1)\C#N
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(\C=C(/C#N)C(N)=O)c1
C=CC(=O)NC1CN(C1)c1cnc2[nH]cc(-c3ccncc3)c2c1 |$;;;;HN;;;;;;;;;;;;;;;;;;;$|
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)cc(c1)C(F)(F)F
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1
Cn1cc(ccc1=O)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
C=CC(=O)N[C@H]1CCN(C1)c1cnc2[nH]cc(-c3ccncc3)c2c1 |r|
C=CC(=O)N[C@H]1CCCN(C1)c1cnc2[nH]cc(-c3ccncc3)c2c1 |r|
C=CC(=O)Nc1cncc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Cn1cc(ccc1=O)-c1c[nH]c2ncc(cc12)-c1cncc(NC(=O)C=C)c1
N#CN[C@H]1CCN(C1)c1cnc2[nH]cc(-c3ccncc3)c2c1 |r|
C=CC(=O)Nc1cc(cc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1)C#N
FC(F)(F)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)N(C)C(=O)C=C
COc1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
O=C(Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1)\C=C\CN1CCOCC1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Fc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Cc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Fc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cncc(NC(=O)C=C)c1
Cc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cncc(NC(=O)C=C)c1
COc1cc(cc(C)n1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
COc1ccc(cn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
COc1cc(cc(n1)C(F)(F)F)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CNc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1 |$;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Cc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(\C=C(/C#N)C(N)=O)c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccc(=O)n(C)c3)c2c1
Fc1cc(ccn1)-c1c[nH]c2ncc(cc12)N1CC(C1)NC(=O)C=C |$;;;;;;;;;;;;;;;;;;;;HN;;;;$|
CNc1cc(ccn1)-c1c[nH]c2ncc(cc12)N1CC(C1)NC(=O)C=C |$;HN;;;;;;;;;;;;;;;;;;;;HN;;;;$|
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN(C)C)c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN2CCOCC2)c1
COc1cc(ncn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)nc(OC)c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)nc(c1)N1CCOCC1
Cc1ccccc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Clc1cncc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Cc1cc(ncn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)nc(OC(C)C)c1
Fc1ccc(cn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccc(OCC4CC4)nc3)c2c1
CNc1ccc(cn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccncn3)c2c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccc(=O)n(CC4CC4)c3)c2c1
COc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
COc1cc(C)cc(n1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc4ccccc34)c2c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc4ncccc34)c2c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc4cnccc34)c2c1
CNc1cc(ncn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1 |$;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Fc1ccc(cn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)cc(c1)C(F)(F)F
COc1ccc(cn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)cc(c1)C(F)(F)F
FC(F)(F)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1
COc1cc(\C=C(/C#N)C(N)=O)cc(c1)-c1cnc2[nH]cc(-c3ccnc(OC)c3)c2c1
Fc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)cc(c1)C(F)(F)F
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccnc4[nH]ccc34)c2c1
NC(=O)C(=C\c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(F)nc3)c2c1)\C#N
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccnc4ccccc34)c2c1
COC\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccnc(OC)c3)c2c1
CC(C)(O)Cn1cc(ccc1=O)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Cc1ccc(NC(=O)c2ccc(cc2)-c2c[nH]c3ncc(cc23)-c2cccc(NC(=O)C=C)c2)c(C)c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C(C)=C)nc(OC)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3c[nH]c(=O)c4ccccc34)c2c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C(C)=C)nc(c1)-c1cnn(C)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc4[nH]ccc34)c2c1
Cn1cc(-c2c[nH]c3ncc(cc23)-c2cccc(NC(=O)C=C)c2)c2ccccc2c1=O
Cn1cc(-c2c[nH]c3ncc(cc23)-c2cncc(NC(=O)C=C)c2)c2cc[nH]c2c1=O
CC(C)c1ccc(NC(=O)c2ccc(cc2)-c2c[nH]c3ncc(cc23)-c2cccc(NC(=O)C=C)c2)cc1
NC(=O)C(=C\c1cccc(c1)-c1cnc2[nH]cc(-c3ccncn3)c2c1)\C#N
COc1cc(NC(=O)\C=C\CN(C)C)cc(c1)-c1cnc2[nH]cc(-c3ccnc(OC)c3)c2c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cncc4[nH]ccc34)c2c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)C#N)c2c1
COc1cc(-c2c[nH]c3ncc(cc23)-c2cccc(NC(=O)C=C)c2)c(C)cn1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)cc(c1)-c1cnn(C)c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C(C)=C)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc4occc34)c2c1
CCC(O)(CC)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3ccnc(OC)c3)c2c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1
CC(=C)C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cn(CC4CC4)c(=O)c4ccccc34)c2c1
COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C(=C\C(C)C)\C#N)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cn(CC4CC4)c(=O)c4[nH]ccc34)c2c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccnc4[nH]ccc34)c2c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3ccc(=O)n(CC4CC4)c3)c2c1
CNc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)C#N)c2c1
Clc1ccc(cc1)C(=O)N=c1[nH]c2ccccc2n1C1CCN(CC1)C(=O)C=C |w:9.9|
CCOC(C)(C)C=C(C#N)C(=O)N1CCCC1Cn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN[C@@H](C)C(C)(C)C)ccc12 |w:6.5|
CC(C)CNCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)C)C#N)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |w:20.21|
C=CC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=NC(=O)c1cccnc1 |w:19.22|
C[C@H](NCc1ccc2n(CC3CCCN3C(C)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1)C(C)(C)C
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN3CC4(COC4)C3)ccc12 |w:3.2|
Clc1ccc(cc1)C(=O)N=c1[nH]c2ccccc2n1C1CCCN(C1)C(=O)C=C |w:9.9|
C[C@H](NCc1ccc2n(CC3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(Cl)cc3)nc2c1)C(C)(C)C |w:18.19|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2ccc(CNCC(C)(C)C)cc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=NC(=O)c1ccc(Cl)cc1 |w:24.27,3.2|
C[C@H](NCc1ccc2n(CC3CCCN3C(=O)C=C)c(NC(=O)c3ccc(cc3)C(F)F)nc2c1)C(C)(C)C
CC(C)(C)CNCc1ccc2nc(NC(=O)c3ccc(s3)C(F)F)n(C[C@H]3CCCN3C(=O)C(=CC3(C)COC3)C#N)c2c1 |w:34.36|
CC(C)C=C(C#N)C(=O)N1CCCC(C1)n1c2ccccc2[nH]c1=NC(=O)c1cccnc1 |w:24.27,3.2|
CC(C)C=C(C#N)C(=O)N1CCCC1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN[C@@H](C)C(C)(C)C)ccc12 |w:3.2|
CC(C)(CN)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2ccccc12 |w:5.4|
CC(C)C=C(C#N)C(=O)N1CCCC1Cn1c2ccccc2[nH]c1=NC(=O)c1ccc(Cl)cc1 |w:24.27,3.2|
CC(C)C=C(C#N)C(=O)N1CC(Cn2c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc3ccccc23)C1 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CNCC(C)(C)O)ccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCCC1Cn1c2ccccc2[nH]c1=NC(=O)c1cccnc1 |w:24.27,3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2ccccc12)N1CCOCC1 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CNCC3CC3)ccc12 |w:3.2|
C[C@H](NCc1ccc2n(C3CCN(CC3)C(=O)C=C)c(=NC(=O)c3ccc(Cl)cc3)[nH]c2c1)C(C)(C)C |w:20.21|
CC(C)C=C(C#N)C(=O)NCCn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2ccccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(ccc12)C(=O)NCC(C)(C)C |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCCC(C1)n1c2ccc(CN([C@@H](C)C(C)(C)C)C(=O)C(F)(F)F)cc2[nH]c1=NC(=O)c1ccc(Cl)cc1 |w:38.41,3.2|
CC(C)(C=C(C#N)C(=O)N1CC(Cn2c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc3ccccc23)C1)N1CCOCC1 |w:3.2|
CC(C)(C)CNC(=O)c1ccc2n(C[C@H]3CCCN3C(=O)C(=CC3(C)COC3)C#N)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |w:22.23|
C[C@H](N(Cc1ccc2n(C3CCCN(C3)C(=O)C=C)c(=NC(=O)c3ccc(Cl)cc3)[nH]c2c1)C(=O)C(F)(F)F)C(C)(C)C |w:20.21|
CC(C)(N)C=C(C#N)C(=O)NCCn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2ccccc12 |w:4.3|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN3CC(O)C3)ccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCCC1Cn1c2ccc(CN(C)[C@@H](C)C(C)(C)C)cc2[nH]c1=NC(=O)c1ccc(Cl)cc1 |w:33.36,3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2ccccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN3CCC(CC3)C(C)(C)O)ccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCCC(C1)n1c2ccc(CN(C)[C@@H](C)C(C)(C)C)cc2[nH]c1=NC(=O)c1ccc(Cl)cc1 |w:33.36,3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2ccccc12 |w:3.2|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H](C1)n1c(NC(=O)c2ccc(s2)C(F)F)nc2ccccc12 |w:4.3|
CC(C)C=C(C#N)C(=O)N1CCCC(C1)n1c2ccccc2[nH]c1=NC(=O)c1ccc(s1)-c1cn[nH]c1 |w:24.27,3.2|
C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(Cl)cc3)nc2c1)C(C)(C)C
CC(C)(CN1CCOCC1)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CO)ccc12 |w:10.10|
C=CC(=O)N1CCCC(C1)n1c2ccccc2[nH]c1=NC(=O)c1ccc(s1)-c1cn[nH]c1 |w:19.22|
C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C
CC(C)(C)CNC(=O)c1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1
CN(C)C(C)(C)C=C(C#N)C(=O)N1CCCC(C1)n1c2ccccc2[nH]c1=NC(=O)c1ccc(s1)-c1cn[nH]c1 |w:27.30,6.5|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN[C@@H](C)C(C)(C)C)ccc12 |w:3.2|
COCCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN[C@@H](C)C(C)(C)C)cnc12 |w:8.7|
CN(C)CC=CC(=O)N1CCCC(C1)n1c2ccccc2[nH]c1=NC(=O)c1ccc(s1)-c1cn[nH]c1 |w:4.3,23.26|
C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |w:18.19|
C[C@H](NC(=O)c1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C
CC(C)C=C(C#N)C(=O)N1CCCC(C1)n1c2ccc(CN[C@@H](C)C(C)(C)C)cc2[nH]c1=NC(=O)c1ccc(Cl)cc1 |w:32.35,3.2|
C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |w:18.19|
C[C@H](NCc1ccc2n(CC3CN(C3)C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |w:17.18|
C[C@H](NCc1ccc2n(C3CCCN(C3)C(=O)C(=CC(C)(C)N)C#N)c(=NC(=O)c3ccc(Cl)cc3)[nH]c2c1)C(C)(C)C |w:18.19,26.27|
CN(CCn1c(NC(=O)c2ccc(s2)C(F)F)nc2ccccc12)C(=O)C(=CC(C)(C)C)C#N |w:27.30|
C[C@H](NCc1ccc2n(CC3CCN(C3)C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |w:18.19|
CNC(C)(C)C=C(C#N)C(=O)N1CCCC(C1)n1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN[C@@H](C)C(C)(C)C)ccc12 |w:5.4|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccno2)nc2ccccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccno2)nc2cc(CNCC(C)(C)C)ccc12 |w:3.2|
C[C@H](NCc1ccc2n(C3CCCN(C3)C(=O)C(=CC(C)(C)N(C)C)C#N)c(NC(=O)c3ccc(Cl)cc3)nc2c1)C(C)(C)C |w:18.19|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2cccc(C)c2)nc2ccccc12 |w:3.2|
CC(C)(C)CNCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccno3)nc2c1 |w:21.22|
CNC(C)(C)C=C(C#N)C(=O)N1CCCC1Cn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN[C@@H](C)C(C)(C)C)ccc12 |w:5.4|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |w:3.2|
CC(C)(C)CNCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC3(C)COC3)C#N)c(NC(=O)c3ccno3)nc2c1 |w:21.22|
CN(CCn1c(NC(=O)c2ccc(s2)C(F)F)nc2ccccc12)C(=O)C(=CC(C)(C)N1CCOCC1)C#N |w:27.30|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2cccc(c2)C(F)F)nc2cc(CNCC(C)(C)C)ccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CNCC(F)(F)F)ccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN3CCN(C)CC3)ccc12 |w:3.2|
C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC3(C)COC3)C#N)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |w:18.19|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN3CCOCC3)ccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN3CC(C)OC(C)C3)ccc12 |w:3.2|
CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CN[C@@H](C)C(C)(C)C)ccc12 |w:6.5|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CNCC(C)(C)C)ccc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2cc(CO)ccc12 |w:3.2|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)S(=O)(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)S(=O)(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCOCC1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1 |r|
C\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
CC(C)\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
COC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C\C=C\C(O)=O)C1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C/C(O)=O |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CBr |r|
CC(=O)OC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
CS(=O)(=O)NC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CO |r|
CC#CC(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)C#C |r|
CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r,wU:9.12,6.5,(5.24,-4.53,;4.15,-5.62,;3.06,-6.7,;1.97,-7.79,;2.37,-9.28,;.49,-7.4,;.09,-5.91,;-1.4,-5.51,;-1.8,-4.02,;-.71,-2.93,;.78,-3.33,;1.18,-4.82,;-1.11,-1.45,;-.2,-.2,;-1.11,1.05,;-2.57,.57,;-3.91,1.34,;-3.91,2.88,;-5.24,.57,;-2.57,-.97,;-3.91,-1.74,;-.71,2.53,;.78,2.93,;1.18,4.42,;.09,5.51,;.49,7,;1.97,7.4,;3.06,6.31,;4.55,6.7,;4.95,8.19,;3.86,9.28,;2.37,8.88,;-1.4,5.11,;-1.8,3.62,)|
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
Cc1n[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Cc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
Clc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
OCc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]ccc2c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]ccc2n1
CN(C)\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
CN(C)\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]cc(C)c2c1
CC\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
CC\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]cc(C)c2c1
Cc1c[nH]c2ncc(cc12)-c1ccc(Cl)c(NC(=O)C=C)c1
Cc1c[nH]c2ncc(cc12)-c1ccccc1NC(=O)C=C
Clc1c[nH]c2ncc(cc12)-c1ccccc1NC(=O)C=C
CN(C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CS(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CCS(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc(F)cc(F)c3OC)c2c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1ccc(F)c(NC(=O)C=C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)c(F)cc1F
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)ccc1F
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1ccc(Cl)c(NC(=O)C=C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)n1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
CN(C)\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
CN(C)\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]cc(Cl)c2c1
Clc1c[nH]c2ncc(cc12)-c1ccc(Cl)c(NC(=O)C=C)c1
CC\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]cc(Cl)c2c1
CC\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]nc(C)c2c1
Clc1c[nH]c2ncc(Nc3cccc(CC#N)c3)cc12
Cc1c[nH]c2ncc(Nc3cccc(CC#N)c3)cc12
Fc1cc(ccc1NC(=O)C=C)-c1cnc2[nH]ccc2c1
Fc1cc(ccc1NC(=O)C=C)-c1cnc2[nH]cc(Cl)c2c1
Fc1cc(cc(NC(=O)C=C)c1F)-c1cnc2[nH]ccc2c1
Fc1cc(cc(NC(=O)C=C)c1F)-c1cnc2[nH]cc(Cl)c2c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)CC#N)c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2CCCN2)c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2CCCN2C(=O)C=C)c1
C=CC(=O)N1CCCC1C(=O)Nc1cnc2[nH]ccc2c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2CCCN2)c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2CCCN2C(=O)C=C)c1
Cc1c[nH]c2ncc(NC(=O)C3CCCN3C(=O)C=C)cc12
NC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(C)c2c1
CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1
CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C#C)c1
CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2n1
CCCS(=O)(=O)Nc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C(\C)=C\C(C)(C)C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C(\C)=C\C(C)(C)C)ccc1F
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(F)cc(NC(=O)C=C)c1C
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(F)cc(NC(=O)\C=C\CN(C)C)c1C
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(F)cc(NC(=O)C(\C)=C\C(C)(C)C)c1C
COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cc(F)cc(NC(=O)\C=C\CN(C)C)c1C
COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cc(F)cc(NC(=O)C(\C)=C\C(C)(C)C)c1C
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CO)ccc12 |r,w:4.3|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CNCC3CC3)ccc12 |r,w:4.3|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CN[C@H](CO)C(C)(C)C)ccc12 |r,w:4.3|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CN[C@@H](CO)C(C)(C)C)ccc12 |r,w:4.3|
CC(CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,w:20.21|
C[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,w:20.21|
COCC(C)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,w:21.22|
C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CNCC3CC3)ccc12 |r|
CC(C)(C)[C@@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|
CC(C)(C)[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|
C[C@@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|
C[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|
CC(C)(O)CNCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|
C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C |r,w:18.19|
Cc1cccc(Nc2ccnc(Nc3cccc(NC(=O)C=C)c3)n2)c1
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1
CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
Cc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Cc1cnc(Nc2ccccc2)nc1NC1CCCN(C1)C(=O)C=C
Fc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1cccc(NC(=O)C=C)c1
Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1
CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1
Cc1cnc(Nc2ccccc2)nc1Nc1ccc(NC(=O)C=C)cc1
Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1ccc2CN(CCc2c1)C(=O)C=C
Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(O[C@H]3CCOC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
CS(=O)(=O)CCCOc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
Cc1ccc(NC(=O)C=C)cc1Nc1nccc(n1)-c1cccnc1
Fc1cnc(Nc2ccc(O[C@@H]3CCOC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CN1CCC(COc2cccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c2)CC1
CN1CCCC(COc2cccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c2)C1
COCCN(C)c1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
CN1CCC(COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cn2)CC1
Fc1cnc(Nc2ccc(OC3CCC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1
CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\CN4CC[C@H](O)C4)c3)n2)cc1 |r|
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\CN4CC[C@@H](O)C4)c3)n2)cc1 |r|
CN1CCC(COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)CC1
CC(C)(CO)Oc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1
COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
OCCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
CC(C)Oc1ccc(Nc2ncc(F)c(Nc3ccc(Cl)c(NC(=O)C=C)c3)n2)cn1
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(Cl)c(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2cccc(OCC(=O)N3CCOCC3)c2)nc1Nc1cccc(NC(=O)C=C)c1
COc1ccc(Nc2ncc(F)c(Nc3ccc(CN(C)C(=O)C=C)cc3)n2)cn1
CS(=O)(=O)CCCOc1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
CC(C)(O)COc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1cccc(NC(=O)C=C)c1
COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\CN(C)C)c3)n2)cn1
CN1CCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
CC(=O)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
COCCOc1ccc(Nc2ncc(C3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1
COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc(OC)c1OC
COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OC
Fc1cnc(Nc2cccc(OCCN3CCOCC3)c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
CS(=O)(=O)CCCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
COCCOc1ccc(Nc2ncc(C3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CS(=O)(=O)N1CCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
CN(C(=O)C(F)(F)F)c1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cn1
Fc1cnc(Nc2ccc3OCCN(C(=O)C(F)(F)F)c3c2)nc1Nc1cccc(NC(=O)C=C)c1
CN(Cc1ccc(Nc2nc(Nc3cccc(OCCN4CCCC4=O)c3)ncc2F)cc1)C(=O)C=C
Fc1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
Fc1cnc(Nc2ccc3OCCC(C(=O)C=C)c3c2)nc1Nc1cccc(Cl)c1
COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cc1
CC(C)(C)OC(=O)n1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12
CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
CC(=O)c1cnc(Nc2ccc3[nH]ncc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
CC(=O)c1cnc(Nc2ccc3n(C)ncc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12
Fc1cnc(Nc2ccc3[nH]ncc3c2)nc1Nc1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C#N)c1
COc1cccc(Nc2ncc(OC)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
COc1ccc(Nc2ncc(C(=O)Nc3ccccc3)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
NS(=O)(=O)c1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Nc1cccc(NC(=O)C=C)c1
OC(C(=C)C#N)c1cccc(Nc2nc(Nc3cccc(OC(F)(F)F)c3)ncc2F)c1
Fc1cnc(Nc2cccc(OCCN3CCCC3=O)c2)nc1Nc1cccc(NC(=O)C=C)c1
COc1ccc(Nc2ncc(F)c(Nc3ccc4CN(Cc4c3)C(=O)C=C)n2)cn1
COc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cn1
COc1ccc(Nc2ncc(C3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
CC(=O)c1cnc(Nc2ccc(nc2)N2CCOCC2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
CC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
COc1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cc1
CC(C)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Fc1cnc(Nc2ccc3OCCNc3c2)nc1Nc1cccc(NC(=O)C=C)c1
COc1ccc(Nc2ncc(C(=O)NC3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1cccc(Nc2ncc(C(=O)NC3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
COc1cccc(Nc2ncc(C(N)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
COc1ccc(Nc2ncc(F)c(OC3CCCN(C3)C(=O)C=C)n2)cc1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CC(C)(C)OC(=O)NCCCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
CC(=C)C(=O)c1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1
COc1ccc(Nc2ncc(C)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(C(C)=O)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1cccc(Nc2ncc(F)c(O[C@@H]3CCCN(C3)C(=O)C=C)n2)c1 |r|
COc1ccc(Nc2ncc(F)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cn1
COc1cccc(Nc2ncc(F)c(N[C@@H]3CCCN(C3)C(=O)C=C)n2)c1 |r|
CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CC(=C)C(=O)c1cccc(Nc2nc(Nc3cccc(OC(F)(F)F)c3)ncc2F)c1
COc1cccc(Nc2ncc(C(=O)Nc3ccccc3)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1
COc1ccc(Nc2ncc(F)c(N[C@@H]3CCCN(C3)C(=O)C=C)n2)cn1 |r|
Fc1cnc(Nc2cccc(OCCCn3ccnc3)c2)nc1Nc1cccc(NC(=O)C=C)c1
[#6]-[#7](-[#6])-[#6]-[#6]-[#8]-c1cccc(-[#7]-c2ncc(F)c(-[#7]-c3cccc(c3)-[#6](=O)\[#6]=[#6](\[#6])-[#6])n2)c1
Fc1cnc(Nc2cccc(OCCCN3CCOCC3)c2)nc1Nc1cccc(NC(=O)C=C)c1
COc1ccc(Nc2ncc(C(N)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Cc1cnc(Nc2cccc(OCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
COc1ccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cn1
CN(Cc1ccc(Nc2nc(Nc3ccccc3)ncc2C)cc1)C(=O)C=C
CN(Cc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1)C(=O)C=C
COc1cccc(Nc2ncc(c(Nc3ccc(Cl)c(NC(=O)C=C)c3)n2)C(F)(F)F)c1
Fc1cnc(Nc2ccccc2)nc1Oc1cccc(NC(=O)C=C)c1
NC(=O)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
CN(C)CCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Cc1cnc(Nc2cccc(OCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
COc1cccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1
Fc1cnc(Nc2cccc(OC(F)(F)F)c2)nc1Nc1cccc(NC(=O)C=C)c1
FC(F)(F)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Cc1cnc(Nc2ccccc2)nc1Oc1cccc(NC(=O)C=C)c1
CC(C)(O)COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Fc1cnc(Nc2ccc(O[C@@H]3CCOC3)c(F)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
COCCOc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(=O)C(C)=C)n2)cc1F
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)C(C)=C)n2)cc1F
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(CC(=O)C(C)=C)cc3)n2)cc1F
CC(CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
CC(C)(CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
CC(CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1
OCC(O)COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
Fc1cnc(Nc2ccc(Cl)c(O[C@H]3CCOC3)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
O[C@H]1CN[C@H](COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2F)C1 |r|
CC(C)(C)OC(=O)NCCOCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
C[C@@H](CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl |r|
COCCOCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Fc1cnc(Nc2ccc(OCCOCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c(F)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(cc3)C#N)n2)ccc1F
CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(cc3)C(F)(F)F)n2)ccc1F
CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(F)cc3)n2)ccc1F
C[C@H](NCc1ccc2n([C@@H]3C[C@@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,11.13,wD:1.0,(-7.63,5.65,;-7.63,4.11,;-6.3,3.34,;-4.96,4.11,;-3.63,3.34,;-3.63,1.8,;-2.29,1.03,;-.96,1.8,;.5,1.32,;.9,-.17,;.13,-1.5,;1.47,-2.27,;2.24,-.94,;1.86,-3.76,;3.35,-4.16,;3.75,-5.65,;4.44,-3.07,;5.93,-3.47,;1.41,2.57,;2.95,2.57,;3.72,3.9,;2.95,5.23,;5.26,3.9,;6.16,5.14,;7.63,4.67,;7.63,3.13,;6.16,2.65,;8.96,2.36,;10.3,3.13,;8.96,.82,;.5,3.81,;-.96,3.34,;-2.29,4.11,;-8.96,3.34,;-10.3,4.11,;-8.96,1.8,;-10.3,2.57,)|
C[C@H](NCc1ccc2n(c(NC(=O)c3ccc(s3)C(F)F)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n([C@@H]3CC[C@@H](CC3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,12.15,wD:1.0,(-7.63,6.43,;-7.63,4.89,;-6.3,4.12,;-4.96,4.89,;-3.63,4.12,;-3.63,2.58,;-2.29,1.81,;-.96,2.58,;.5,2.1,;.9,.61,;-.19,-.48,;.21,-1.96,;1.7,-2.36,;2.79,-1.27,;2.39,.21,;2.1,-3.85,;1.01,-4.94,;1.41,-6.43,;-.48,-4.54,;-1.57,-5.63,;1.41,3.35,;2.95,3.35,;3.72,4.68,;2.95,6.01,;5.26,4.68,;6.16,5.93,;7.63,5.45,;7.63,3.91,;6.16,3.43,;8.96,3.14,;10.3,3.91,;8.96,1.6,;.5,4.59,;-.96,4.12,;-2.29,4.89,;-8.96,4.12,;-10.3,4.89,;-8.96,2.58,;-10.3,3.35,)|
C[C@H](NCc1ccc2n(c(NC(=O)c3cccc(c3)C#N)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3ccc(cc3)C#N)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3nccs3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3ccncc3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3cncs3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n([C@H]3CC[C@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3cccnc3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3ccccn3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3ccnn3C)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
O[C@H]1CC[C@@H](CC1)NCc1ccc2n(c(NC(=O)c3ccc(s3)C(F)F)nc2c1)-c1cccc(NC(=O)C=C)c1 |r,wU:4.7,wD:1.0,(-10.96,5.47,;-9.63,4.7,;-9.63,3.16,;-8.3,2.39,;-6.96,3.16,;-6.96,4.7,;-8.3,5.47,;-5.63,2.39,;-4.29,3.16,;-2.96,2.39,;-2.96,.85,;-1.63,.08,;-.29,.85,;1.17,.37,;2.08,1.62,;3.62,1.62,;4.39,2.95,;3.62,4.29,;5.93,2.95,;6.83,4.2,;8.3,3.72,;8.3,2.18,;6.83,1.71,;9.63,1.41,;9.63,-.13,;10.96,2.18,;1.17,2.87,;-.29,2.39,;-1.63,3.16,;1.57,-1.11,;3.06,-1.51,;3.46,-3,;2.37,-4.09,;.88,-3.69,;-.21,-4.78,;-1.7,-4.38,;-2.1,-2.89,;-2.79,-5.47,;-4.27,-5.07,;.48,-2.2,)|
C[C@H](NCc1ccc2n(c(NC(=O)c3ccno3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3cnco3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n(c(NC(=O)c3ccns3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|
FC(F)c1ccc(s1)C(=O)Nc1nc2cc(CN3CCOCC3)ccc2n1-c1cccc(NC(=O)C=C)c1
C[C@H](NCc1ccc2n([C@@H]3CC[C@@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2n(c(NC(=O)c3ccc(s3)C(F)F)nc2c1)-c1cccc(NC(=O)C=C)c1 |r|
C[C@H](NCc1ccc2n([C@H]3CCC[C@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|
Fc1cnc(Nc2ccc3OCCN(C(=O)C=C)c3c2)nc1Nc1cccc(Cl)c1
Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2cccc(OCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1
COc1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cn1
COc1cccc(Nc2ncc(C(=O)NC3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
COc1cccc(Nc2ncc(C(N)=O)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
COc1ccc(Nc2ncc(F)c(OC3CCCN(C3)C(=O)C=C)n2)cn1
COc1ccc(Nc2ncc(OC)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1cccc(Nc2ncc(C(=O)Nc3ccccc3)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CCCN(C1)C(=O)C(Br)=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(Br)=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
C[C@H](NCc1ccc2n(C3CC4(C3)CN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(29.61,-4,;29.61,-5.54,;30.95,-6.31,;32.28,-5.54,;33.61,-6.31,;33.61,-7.85,;34.94,-8.62,;36.29,-7.85,;37.76,-8.32,;38.24,-9.78,;39.62,-10.47,;38.92,-11.85,;37.55,-11.16,;40.43,-12.18,;40.58,-13.71,;39.17,-14.33,;38.15,-13.18,;38.84,-15.84,;39.98,-16.87,;37.37,-16.31,;37.05,-17.81,;38.67,-7.06,;40.21,-7.05,;40.97,-5.72,;40.19,-4.39,;42.5,-5.7,;43.4,-4.45,;44.87,-4.92,;44.88,-6.46,;43.42,-6.94,;46.13,-7.36,;45.98,-8.89,;47.53,-6.72,;37.75,-5.81,;36.28,-6.3,;34.94,-5.54,;28.28,-6.31,;26.94,-5.54,;28.28,-7.85,;26.93,-7.07,)|
C[C@H](NCc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,wD:1.0,11.11,(-7.58,6.89,;-7.58,5.35,;-6.25,4.58,;-4.92,5.35,;-3.58,4.58,;-3.58,3.04,;-2.25,2.27,;-.92,3.04,;.55,2.57,;.95,1.08,;2.28,.31,;1.51,-1.03,;.18,-.26,;2.98,-1.5,;2.98,-3.04,;1.51,-3.52,;.61,-2.27,;1.11,-5.01,;2.2,-6.09,;-.37,-5.4,;-.77,-6.89,;1.45,3.81,;2.99,3.81,;3.76,5.14,;2.99,6.48,;5.3,5.14,;6.21,6.39,;7.67,5.91,;7.67,4.37,;6.21,3.9,;8.76,3.29,;10.25,3.68,;8.36,1.8,;.55,5.06,;-.92,4.58,;-2.25,5.35,;-8.92,4.58,;-10.25,5.35,;-8.92,3.04,;-10.25,3.81,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(5.27,-4.41,;5.27,-5.95,;6.6,-6.72,;7.93,-5.95,;9.27,-6.72,;9.27,-8.26,;10.6,-9.03,;11.94,-8.26,;13.42,-8.73,;13.9,-10.19,;15.27,-10.88,;14.58,-12.26,;13.21,-11.57,;16.08,-12.59,;16.24,-14.13,;14.83,-14.75,;13.8,-13.59,;14.5,-16.25,;15.64,-17.29,;13.03,-16.72,;12.7,-18.22,;14.32,-7.47,;15.86,-7.47,;16.63,-6.13,;15.85,-4.8,;18.16,-6.12,;19.06,-4.86,;20.53,-5.33,;20.53,-6.87,;19.07,-7.36,;21.78,-7.77,;23.25,-7.28,;24.16,-8.52,;23.26,-9.78,;21.79,-9.31,;13.4,-6.23,;11.93,-6.71,;10.6,-5.95,;3.93,-6.72,;2.6,-5.95,;3.93,-8.26,;2.59,-7.48,)|
C[C@H](NCc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,wD:1.0,11.11,(-8.15,6.89,;-8.15,5.35,;-6.81,4.58,;-5.48,5.35,;-4.15,4.58,;-4.15,3.04,;-2.81,2.27,;-1.48,3.04,;-.01,2.57,;.38,1.08,;1.72,.31,;.95,-1.03,;-.39,-.26,;2.41,-1.5,;2.41,-3.04,;.95,-3.52,;.04,-2.27,;.55,-5.01,;1.64,-6.09,;-.94,-5.4,;-1.34,-6.89,;.89,3.81,;2.43,3.81,;3.2,5.14,;2.43,6.48,;4.74,5.14,;5.65,6.39,;7.11,5.91,;7.11,4.37,;5.65,3.9,;8.44,3.6,;9.91,4.08,;10.81,2.83,;9.91,1.59,;8.44,2.06,;-.01,5.06,;-1.48,4.58,;-2.81,5.35,;-9.48,4.58,;-10.81,5.35,;-8.71,3.25,;-10.25,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|
CC(C)c1ncc(s1)C(=O)Nc1nc2cc(CN[C@@H](C)C(C)(C)C)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:28.30,30.33,wD:18.19,(10.3,4.37,;8.96,3.6,;8.96,2.06,;7.63,4.37,;7.63,5.91,;6.16,6.39,;5.26,5.14,;6.16,3.9,;3.72,5.14,;2.95,6.48,;2.95,3.81,;1.41,3.81,;.5,5.06,;-.96,4.58,;-2.29,5.35,;-3.63,4.58,;-4.96,5.35,;-6.3,4.58,;-7.63,5.35,;-7.63,6.89,;-8.96,4.58,;-10.3,5.35,;-8.19,3.25,;-9.73,3.25,;-3.63,3.04,;-2.29,2.27,;-.96,3.04,;.5,2.57,;.9,1.08,;2.24,.31,;1.47,-1.03,;.13,-.26,;2.93,-1.5,;2.93,-3.04,;1.47,-3.52,;.56,-2.27,;1.07,-5.01,;2.16,-6.09,;-.42,-5.4,;-.82,-6.89,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cnc(C)s3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.96,6.89,;-6.96,5.35,;-5.63,4.58,;-4.29,5.35,;-2.96,4.58,;-2.96,3.04,;-1.63,2.27,;-.29,3.04,;1.17,2.57,;1.57,1.08,;2.9,.31,;2.13,-1.03,;.8,-.26,;3.6,-1.5,;3.6,-3.04,;2.13,-3.52,;1.23,-2.27,;1.73,-5.01,;2.82,-6.09,;.25,-5.4,;-.15,-6.89,;2.08,3.81,;3.62,3.81,;4.39,5.14,;3.62,6.48,;5.93,5.14,;6.83,6.39,;8.3,5.91,;8.3,4.37,;9.63,3.6,;6.83,3.9,;1.17,5.06,;-.29,4.58,;-1.63,5.35,;-8.3,4.58,;-9.63,5.35,;-7.53,3.25,;-9.07,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.63,6.54,;-7.63,5,;-6.3,4.23,;-4.96,5,;-3.63,4.23,;-3.63,2.69,;-2.29,1.92,;-.96,2.69,;.5,2.21,;.9,.72,;2.24,-.05,;1.47,-1.38,;.13,-.61,;2.95,-1.78,;3.35,-3.27,;2.26,-4.36,;.78,-3.96,;.38,-2.47,;-.31,-5.05,;.09,-6.54,;-1.8,-4.65,;-2.89,-5.74,;1.41,3.46,;2.95,3.46,;3.72,4.79,;2.95,6.12,;5.26,4.79,;6.16,6.03,;7.63,5.56,;7.63,4.02,;6.16,3.54,;8.96,3.25,;10.3,4.02,;8.96,1.71,;.5,4.7,;-.96,4.23,;-2.29,5,;-8.96,4.23,;-10.3,5,;-8.96,2.69,;-10.3,3.46,)|
C[C@H](NCc1ccc2n([C@H]3C[C@@]4(C3)CCCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,wD:1.0,11.11,(-7.63,6.54,;-7.63,5,;-6.3,4.23,;-4.96,5,;-3.63,4.23,;-3.63,2.69,;-2.29,1.92,;-.96,2.69,;.5,2.21,;.9,.72,;2.24,-.05,;1.47,-1.38,;.13,-.61,;2.95,-1.78,;3.35,-3.27,;2.26,-4.36,;.78,-3.96,;.38,-2.47,;-.31,-5.05,;.09,-6.54,;-1.8,-4.65,;-2.89,-5.74,;1.41,3.46,;2.95,3.46,;3.72,4.79,;2.95,6.12,;5.26,4.79,;6.16,6.03,;7.63,5.56,;7.63,4.02,;6.16,3.54,;8.96,3.25,;10.3,4.02,;8.96,1.71,;.5,4.7,;-.96,4.23,;-2.29,5,;-8.96,4.23,;-10.3,5,;-8.96,2.69,;-10.3,3.46,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cncs3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(7.15,-27.46,;7.15,-29,;8.48,-29.76,;9.82,-28.99,;11.15,-29.76,;11.15,-31.31,;12.48,-32.08,;13.82,-31.31,;15.3,-31.78,;15.78,-33.24,;17.16,-33.93,;16.46,-35.31,;15.09,-34.61,;17.97,-35.64,;18.12,-37.17,;16.71,-37.79,;15.68,-36.64,;16.38,-39.29,;17.52,-40.33,;14.91,-39.76,;14.58,-41.27,;16.21,-30.52,;17.75,-30.51,;18.51,-29.17,;17.73,-27.84,;20.04,-29.16,;20.94,-27.91,;22.41,-28.38,;22.42,-29.92,;20.95,-30.4,;15.29,-29.27,;13.81,-29.76,;12.48,-28.99,;5.82,-29.77,;4.48,-29,;5.82,-31.31,;4.47,-30.53,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccnn3C)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;7.1,2.41,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|
FC(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(5.63,2.27,;5.63,3.81,;6.96,4.58,;4.29,4.58,;4.29,6.12,;2.83,6.6,;1.93,5.35,;2.83,4.11,;.39,5.35,;-.38,6.68,;-.38,4.02,;-1.92,4.02,;-2.83,5.26,;-4.29,4.79,;-5.63,5.56,;-6.96,4.79,;-6.96,3.25,;-5.63,2.48,;-4.29,3.25,;-2.83,2.77,;-2.43,1.28,;-1.1,.51,;-1.87,-.82,;-3.2,-.05,;-.4,-1.3,;-.4,-2.84,;-1.87,-3.31,;-2.77,-2.07,;-2.27,-4.8,;-1.18,-5.89,;-3.75,-5.2,;-4.15,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccccc23)C1 |r,wU:7.6,9.11,(34.53,-42.18,;34.86,-40.68,;36.33,-40.21,;37.47,-41.25,;36.66,-38.71,;38.07,-38.09,;37.92,-36.56,;36.41,-36.23,;37.11,-34.85,;35.73,-34.16,;35.04,-35.53,;35.25,-32.7,;36.16,-31.44,;37.7,-31.43,;38.46,-30.09,;37.68,-28.76,;39.99,-30.08,;40.89,-28.83,;42.36,-29.29,;42.37,-30.83,;40.9,-31.32,;43.62,-31.73,;45.08,-31.25,;45.99,-32.49,;45.09,-33.74,;43.63,-33.27,;35.24,-30.19,;33.76,-30.68,;32.43,-29.91,;31.1,-30.68,;31.1,-32.23,;32.43,-33,;33.77,-32.23,;35.63,-37.56,)|
FC(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,wD:22.25,(5.63,2.27,;5.63,3.81,;6.96,4.58,;4.29,4.58,;4.29,6.12,;2.83,6.6,;1.93,5.35,;2.83,4.11,;.39,5.35,;-.38,6.68,;-.38,4.02,;-1.92,4.02,;-2.83,5.26,;-4.29,4.79,;-5.63,5.56,;-6.96,4.79,;-6.96,3.25,;-5.63,2.48,;-4.29,3.25,;-2.83,2.77,;-2.43,1.28,;-1.1,.51,;-1.87,-.82,;-3.2,-.05,;-.4,-1.3,;-.4,-2.84,;-1.87,-3.31,;-2.77,-2.07,;-2.27,-4.8,;-1.18,-5.89,;-3.75,-5.2,;-4.15,-6.68,)|
C=CC(=O)N1CC[C@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccccc23)C1 |r,wU:9.11,wD:7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(cc3)C#N)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(54.44,-2.43,;54.44,-3.97,;55.77,-4.74,;57.11,-3.97,;58.44,-4.74,;58.44,-6.28,;59.77,-7.05,;61.11,-6.28,;62.59,-6.75,;63.07,-8.21,;64.45,-8.9,;63.75,-10.28,;62.38,-9.59,;65.25,-10.61,;65.41,-12.14,;64,-12.76,;62.97,-11.61,;63.67,-14.27,;64.81,-15.3,;62.2,-14.73,;61.87,-16.24,;63.49,-5.49,;65.03,-5.48,;65.8,-4.14,;65.02,-2.82,;67.33,-4.13,;68.1,-5.46,;69.64,-5.45,;70.39,-4.11,;69.61,-2.78,;68.08,-2.8,;71.93,-4.1,;73.47,-4.08,;62.58,-4.24,;61.1,-4.73,;59.77,-3.97,;53.1,-4.74,;51.77,-3.97,;53.1,-6.28,;51.76,-5.5,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccncc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.89,;-6.65,5.35,;-5.32,4.58,;-3.98,5.35,;-2.65,4.58,;-2.65,3.04,;-1.32,2.27,;.02,3.04,;1.48,2.57,;1.88,1.08,;3.21,.31,;2.44,-1.03,;1.11,-.26,;3.91,-1.5,;3.91,-3.04,;2.44,-3.52,;1.54,-2.27,;2.05,-5.01,;3.14,-6.09,;.56,-5.4,;.16,-6.89,;2.39,3.81,;3.93,3.81,;4.7,5.14,;3.93,6.48,;6.24,5.14,;7.01,3.81,;8.55,3.81,;9.32,5.14,;8.55,6.48,;7.01,6.48,;1.48,5.06,;.02,4.58,;-1.32,5.35,;-7.98,4.58,;-9.32,5.35,;-7.21,3.25,;-8.75,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccno3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccnc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.89,;-6.65,5.35,;-5.32,4.58,;-3.98,5.35,;-2.65,4.58,;-2.65,3.04,;-1.32,2.27,;.02,3.04,;1.48,2.57,;1.88,1.08,;3.21,.31,;2.44,-1.03,;1.11,-.26,;3.91,-1.5,;3.91,-3.04,;2.44,-3.52,;1.54,-2.27,;2.05,-5.01,;3.14,-6.09,;.56,-5.4,;.16,-6.89,;2.39,3.81,;3.93,3.81,;4.7,5.14,;3.93,6.48,;6.24,5.14,;7.01,3.81,;8.55,3.81,;9.32,5.14,;8.55,6.48,;7.01,6.48,;1.48,5.06,;.02,4.58,;-1.32,5.35,;-7.98,4.58,;-9.32,5.35,;-7.21,3.25,;-8.75,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccc(c3)C#N)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.04,6.89,;-7.04,5.35,;-5.7,4.58,;-4.37,5.35,;-3.03,4.58,;-3.03,3.04,;-1.7,2.27,;-.37,3.04,;1.1,2.57,;1.5,1.08,;2.83,.31,;2.06,-1.03,;.73,-.26,;3.52,-1.5,;3.52,-3.04,;2.06,-3.52,;1.15,-2.27,;1.66,-5.01,;2.75,-6.09,;.17,-5.4,;-.22,-6.89,;2,3.81,;3.54,3.81,;4.31,5.14,;3.54,6.48,;5.85,5.14,;6.62,6.48,;8.16,6.48,;8.93,5.14,;8.19,3.76,;6.62,3.81,;8.96,2.43,;9.73,1.1,;1.1,5.06,;-.37,4.58,;-1.7,5.35,;-8.37,4.58,;-9.7,5.35,;-7.6,3.25,;-9.14,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccnc(C)c3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.43,;-6.65,4.89,;-5.32,4.12,;-3.98,4.89,;-2.65,4.12,;-2.65,2.58,;-1.32,1.81,;.02,2.58,;1.48,2.1,;1.88,.62,;3.21,-.15,;2.44,-1.49,;1.11,-.72,;3.91,-1.96,;3.91,-3.5,;2.44,-3.98,;1.54,-2.73,;2.05,-5.47,;3.14,-6.55,;.56,-5.86,;.16,-7.35,;2.39,3.35,;3.93,3.35,;4.7,4.68,;3.93,6.02,;6.24,4.68,;7.01,3.35,;8.55,3.35,;9.32,4.68,;8.55,6.02,;9.32,7.35,;7.01,6.02,;1.48,4.6,;.02,4.12,;-1.32,4.89,;-7.98,4.12,;-9.32,4.89,;-7.21,2.79,;-8.75,2.79,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccns3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(55.89,-27.48,;55.89,-29.02,;57.23,-29.79,;58.56,-29.02,;59.89,-29.79,;59.89,-31.33,;61.23,-32.1,;62.57,-31.33,;64.04,-31.8,;64.52,-33.26,;65.9,-33.95,;65.2,-35.33,;63.83,-34.64,;66.71,-35.66,;66.86,-37.2,;65.45,-37.81,;64.43,-36.66,;65.12,-39.32,;66.26,-40.36,;63.65,-39.79,;63.33,-41.29,;64.95,-30.54,;66.49,-30.53,;67.25,-29.2,;66.47,-27.87,;68.79,-29.18,;69.67,-27.93,;71.14,-28.39,;71.15,-29.92,;69.69,-30.41,;64.03,-29.29,;62.56,-29.78,;61.22,-29.02,;54.56,-29.79,;53.22,-29.02,;54.56,-31.33,;53.21,-30.55,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(C)nc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.42,6.89,;-7.42,5.35,;-6.09,4.58,;-4.75,5.35,;-3.42,4.58,;-3.42,3.04,;-2.09,2.27,;-.75,3.04,;.71,2.57,;1.11,1.08,;2.44,.31,;1.67,-1.03,;.34,-.26,;3.14,-1.5,;3.14,-3.04,;1.67,-3.52,;.77,-2.27,;1.28,-5.01,;2.37,-6.09,;-.21,-5.4,;-.61,-6.89,;1.62,3.81,;3.16,3.81,;3.93,5.14,;3.16,6.48,;5.47,5.14,;6.24,3.81,;7.78,3.81,;8.55,5.14,;10.09,5.14,;7.78,6.48,;6.24,6.48,;.71,5.06,;-.75,4.58,;-2.09,5.35,;-8.75,4.58,;-10.09,5.35,;-7.98,3.25,;-9.52,3.25,)|
FC(F)c1ccc(s1)C(=O)Nc1nc2cc(CN3CCOCC3)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:29.35,27.30,(22.81,-7.77,;22.96,-6.23,;24.36,-5.6,;21.71,-5.34,;21.69,-3.81,;20.23,-3.34,;19.34,-4.6,;20.25,-5.82,;17.81,-4.61,;17.03,-3.28,;17.05,-5.95,;15.51,-5.96,;14.59,-4.71,;13.11,-5.2,;11.78,-4.43,;10.45,-5.2,;9.12,-4.43,;7.78,-5.2,;6.44,-4.43,;5.11,-5.19,;5.1,-6.73,;6.44,-7.51,;7.78,-6.74,;10.45,-6.75,;11.78,-7.52,;13.12,-6.75,;14.6,-7.22,;15.08,-8.68,;16.46,-9.37,;15.76,-10.75,;14.39,-10.05,;17.27,-11.08,;17.42,-12.61,;16.01,-13.23,;14.98,-12.08,;15.68,-14.73,;16.82,-15.77,;14.21,-15.2,;13.88,-16.71,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C#C)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.63,6.89,;-7.63,5.35,;-6.3,4.58,;-4.96,5.35,;-3.63,4.58,;-3.63,3.04,;-2.29,2.27,;-.96,3.04,;.5,2.57,;.9,1.08,;2.24,.31,;1.47,-1.03,;.13,-.26,;2.93,-1.5,;2.93,-3.04,;1.47,-3.52,;.56,-2.27,;1.07,-5.01,;2.16,-6.09,;-.42,-5.4,;-.82,-6.89,;1.41,3.81,;2.95,3.81,;3.72,5.14,;2.95,6.48,;5.26,5.14,;6.16,6.39,;7.63,5.91,;7.63,4.37,;6.16,3.9,;8.96,3.6,;10.3,2.83,;.5,5.06,;-.96,4.58,;-2.29,5.35,;-8.96,4.58,;-10.3,5.35,;-8.96,3.04,;-10.3,3.81,)|
OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cc[nH]c(=O)c3)nc2c1 |r,wU:7.6,9.9,(-8.96,4.79,;-7.63,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,;-1.26,4.02,;.28,4.02,;1.05,5.35,;.28,6.68,;2.59,5.35,;3.5,6.6,;4.96,6.12,;4.96,4.58,;3.5,4.11,;6.3,3.81,;7.63,4.58,;8.96,3.81,;8.96,2.27,;7.63,1.5,;7.63,-.04,;6.3,2.27,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,)|
CC(F)(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.28,21.23,(21.07,-29.11,;21.21,-27.57,;21.97,-26.23,;22.75,-27.56,;19.96,-26.68,;19.95,-25.15,;18.49,-24.68,;17.6,-25.94,;18.51,-27.17,;16.07,-25.95,;15.29,-24.62,;15.3,-27.29,;13.76,-27.3,;12.84,-26.05,;11.37,-26.54,;10.04,-25.77,;8.71,-26.54,;8.71,-28.09,;10.04,-28.86,;11.38,-28.09,;12.86,-28.56,;13.34,-30.02,;14.72,-30.71,;14.02,-32.09,;12.65,-31.39,;15.52,-32.42,;15.68,-33.95,;14.27,-34.57,;13.24,-33.42,;13.94,-36.08,;15.08,-37.11,;12.47,-36.54,;12.14,-38.05,)|
Nc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
COc1ccc(cn1)C(=O)Nc1nc2cc(CN[C@@H](C)C(C)(C)C)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:28.30,30.33,wD:18.19,(10.53,6.48,;9.76,5.15,;8.22,5.14,;7.39,3.81,;5.85,3.81,;5.08,5.14,;5.85,6.48,;7.39,6.48,;3.54,5.14,;2.77,6.48,;2.77,3.81,;1.23,3.81,;.33,5.06,;-1.14,4.58,;-2.47,5.35,;-3.8,4.58,;-5.14,5.35,;-6.47,4.58,;-7.81,5.35,;-7.81,6.89,;-9.14,4.58,;-10.47,5.35,;-9.14,3.04,;-10.47,3.81,;-3.8,3.04,;-2.47,2.27,;-1.14,3.04,;.33,2.57,;.73,1.08,;2.06,.31,;1.29,-1.03,;-.04,-.26,;2.75,-1.5,;2.75,-3.04,;1.29,-3.52,;.38,-2.27,;.89,-5.01,;1.98,-6.09,;-.6,-5.4,;-.99,-6.89,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(nc3)-c3ccccc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-8.96,6.89,;-8.96,5.35,;-7.63,4.58,;-6.29,5.35,;-4.96,4.58,;-4.96,3.04,;-3.63,2.27,;-2.29,3.04,;-.83,2.57,;-.43,1.08,;.9,.31,;.13,-1.03,;-1.2,-.26,;1.6,-1.5,;1.6,-3.04,;.13,-3.52,;-.77,-2.27,;-.26,-5.01,;.83,-6.09,;-1.75,-5.4,;-2.15,-6.89,;.08,3.81,;1.62,3.81,;2.39,5.14,;1.62,6.48,;3.93,5.14,;4.7,3.81,;6.24,3.81,;7.01,5.14,;6.24,6.48,;4.7,6.48,;8.55,5.14,;9.32,3.81,;10.86,3.81,;11.63,5.14,;10.86,6.48,;9.32,6.48,;-.83,5.06,;-2.29,4.58,;-3.63,5.35,;-10.29,4.58,;-11.63,5.35,;-10.29,3.04,;-11.63,3.81,)|
FC(F)c1ccc(s1)C(=O)Nc1nc2cc(CN3CCCC3)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.29,28.32,(9.48,4.58,;8.15,3.81,;8.15,2.27,;6.81,4.58,;6.81,6.12,;5.35,6.6,;4.44,5.35,;5.35,4.11,;2.9,5.35,;2.13,6.68,;2.13,4.02,;.59,4.02,;-.31,5.26,;-1.78,4.79,;-3.11,5.56,;-4.44,4.79,;-5.78,5.56,;-7.11,4.79,;-8.58,5.26,;-9.48,4.02,;-8.58,2.77,;-7.11,3.25,;-4.44,3.25,;-3.11,2.48,;-1.78,3.25,;-.31,2.77,;.09,1.28,;1.42,.51,;.65,-.82,;-.68,-.05,;2.12,-1.3,;2.12,-2.84,;.65,-3.31,;-.25,-2.07,;.25,-4.8,;1.34,-5.89,;-1.24,-5.2,;-1.63,-6.68,)|
O[C@H]1CC[C@@H](CC1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:14.14,16.17,4.7,wD:1.0,(-10.96,7.28,;-9.63,6.51,;-9.63,4.97,;-8.3,4.2,;-6.96,4.97,;-6.96,6.51,;-8.3,7.28,;-5.63,4.2,;-4.29,4.97,;-2.96,4.2,;-2.96,2.66,;-1.63,1.89,;-.29,2.66,;1.17,2.18,;1.57,.69,;2.9,-.08,;2.13,-1.41,;.8,-.64,;3.6,-1.89,;3.6,-3.43,;2.13,-3.9,;1.23,-2.66,;1.73,-5.39,;2.82,-6.48,;.25,-5.79,;-.15,-7.28,;2.08,3.43,;3.62,3.43,;4.39,4.76,;3.62,6.09,;5.93,4.76,;6.83,6.01,;8.3,5.53,;8.3,3.99,;6.83,3.51,;9.63,3.22,;10.96,3.99,;9.63,1.68,;1.17,4.67,;-.29,4.2,;-1.63,4.97,)|
O[C@H]1C[C@@H](C1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:12.12,14.15,3.5,wD:1.0,(-10.57,7.05,;-9.24,6.28,;-8.84,4.79,;-7.35,5.19,;-7.75,6.68,;-6.02,4.42,;-4.69,5.19,;-3.35,4.42,;-3.35,2.88,;-2.02,2.11,;-.68,2.88,;.78,2.41,;1.18,.92,;2.51,.15,;1.74,-1.19,;.41,-.42,;3.21,-1.66,;3.21,-3.2,;1.74,-3.68,;.84,-2.43,;1.34,-5.16,;2.43,-6.25,;-.14,-5.56,;-.54,-7.05,;1.69,3.65,;3.23,3.65,;4,4.99,;3.23,6.32,;5.54,4.99,;6.44,6.23,;7.91,5.76,;7.91,4.22,;6.44,3.74,;9.24,3.45,;10.57,4.22,;9.24,1.91,;.78,4.9,;-.68,4.42,;-2.02,5.19,)|
CC(C)(CO)CNCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:15.17,13.12,(31.69,-7.25,;30.92,-5.92,;30.15,-7.24,;29.6,-5.15,;28.26,-5.92,;32.26,-5.15,;33.6,-5.92,;34.93,-5.15,;36.26,-5.92,;36.26,-7.46,;37.6,-8.23,;38.94,-7.46,;40.42,-7.93,;40.9,-9.39,;42.27,-10.08,;41.58,-11.46,;40.2,-10.77,;43.08,-11.79,;43.23,-13.33,;41.82,-13.94,;40.8,-12.79,;41.49,-15.45,;42.63,-16.49,;40.03,-15.92,;39.7,-17.42,;41.32,-6.67,;42.86,-6.66,;43.62,-5.33,;42.84,-4,;45.16,-5.31,;46.05,-4.06,;47.51,-4.52,;47.52,-6.05,;46.07,-6.54,;48.77,-6.95,;50.17,-6.31,;48.62,-8.48,;40.4,-5.42,;38.93,-5.91,;37.59,-5.15,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccc(c3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.66,6.49,;-7.66,4.95,;-6.32,4.18,;-4.99,4.95,;-3.66,4.18,;-3.66,2.64,;-2.32,1.87,;-.99,2.64,;.47,2.17,;.87,.68,;2.21,-.09,;1.44,-1.42,;.1,-.65,;2.9,-1.9,;2.9,-3.44,;1.44,-3.92,;.53,-2.67,;1.04,-5.4,;2.13,-6.49,;-.45,-5.8,;-1.54,-4.71,;1.38,3.41,;2.92,3.41,;3.69,4.75,;2.92,6.08,;5.23,4.75,;6,6.08,;7.54,6.08,;8.31,4.75,;7.54,3.41,;6,3.41,;8.31,2.08,;7.83,.61,;9.08,-.29,;10.33,.61,;9.85,2.08,;.47,4.66,;-.99,4.18,;-2.32,4.95,;-8.99,4.18,;-10.33,4.95,;-8.99,2.64,;-10.33,3.41,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(cc3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-8.61,6.89,;-8.61,5.35,;-7.27,4.58,;-5.94,5.35,;-4.6,4.58,;-4.6,3.04,;-3.27,2.27,;-1.94,3.04,;-.47,2.57,;-.07,1.08,;1.26,.31,;.49,-1.03,;-.84,-.26,;1.95,-1.5,;1.95,-3.04,;.49,-3.52,;-.42,-2.27,;.09,-5.01,;1.18,-6.09,;-1.4,-5.4,;-1.79,-6.89,;.43,3.81,;1.97,3.81,;2.74,5.14,;1.97,6.48,;4.28,5.14,;5.05,3.81,;6.59,3.81,;7.36,5.14,;6.59,6.48,;5.05,6.48,;8.9,5.14,;9.81,3.9,;11.27,4.37,;11.27,5.91,;9.81,6.39,;-.47,5.06,;-1.94,4.58,;-3.27,5.35,;-9.94,4.58,;-11.27,5.35,;-9.94,3.04,;-11.27,3.81,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3cc(CN4CCCC4)ccc23)C1 |r,wU:9.11,7.10,(-2.15,-6.68,;-1.75,-5.2,;-.27,-4.8,;.82,-5.89,;.13,-3.31,;1.6,-2.84,;1.6,-1.3,;.13,-.82,;.9,.51,;-.43,1.28,;-1.2,-.05,;-.83,2.77,;.08,4.02,;1.62,4.02,;2.39,5.35,;1.62,6.68,;3.93,5.35,;4.83,6.6,;6.3,6.12,;6.3,4.58,;4.83,4.11,;7.63,3.81,;9.09,4.29,;10,3.04,;9.09,1.8,;7.63,2.27,;-.83,5.26,;-2.29,4.79,;-3.63,5.56,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-9.09,5.26,;-10,4.02,;-9.09,2.77,;-7.63,3.25,;-4.96,3.25,;-3.63,2.48,;-2.29,3.25,;-.77,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3cc(CN4CCOCC4)ccc23)C1 |r,wU:9.11,7.10,(-2,-6.68,;-1.6,-5.2,;-.12,-4.8,;.97,-5.89,;.28,-3.31,;1.75,-2.84,;1.75,-1.3,;.28,-.82,;1.05,.51,;-.28,1.28,;-1.05,-.05,;-.68,2.77,;.22,4.02,;1.76,4.02,;2.53,5.35,;1.76,6.68,;4.07,5.35,;4.98,6.6,;6.44,6.12,;6.44,4.58,;4.98,4.11,;7.78,3.81,;9.24,4.29,;10.15,3.04,;9.24,1.8,;7.78,2.27,;-.68,5.26,;-2.15,4.79,;-3.48,5.56,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-8.81,5.56,;-10.15,4.79,;-10.15,3.25,;-8.81,2.48,;-7.48,3.25,;-4.81,3.25,;-3.48,2.48,;-2.15,3.25,;-.62,-2.07,)|
O[C@H]1CC[C@@H](CC1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:16.19,14.14,4.7,wD:1.0,(27.35,-24.1,;28.68,-24.87,;28.67,-26.42,;30.01,-27.19,;31.34,-26.42,;31.34,-24.88,;30.02,-24.11,;32.67,-27.19,;34,-26.42,;35.34,-27.19,;35.34,-28.73,;36.67,-29.51,;38.01,-28.73,;39.49,-29.21,;39.97,-30.66,;41.34,-31.36,;40.65,-32.73,;39.28,-32.04,;42.15,-33.06,;42.31,-34.6,;40.9,-35.22,;39.87,-34.06,;40.57,-36.72,;41.71,-37.76,;39.1,-37.19,;38.77,-38.69,;40.39,-27.94,;41.93,-27.94,;42.7,-26.6,;41.92,-25.27,;44.23,-26.59,;45.12,-25.33,;46.58,-25.79,;46.59,-27.33,;45.14,-27.81,;47.84,-28.22,;49.3,-27.73,;50.21,-28.96,;49.32,-30.21,;47.86,-29.75,;39.47,-26.7,;38,-27.18,;36.67,-26.42,)|
O[C@H]1C[C@@H](C1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.12,14.15,3.5,wD:1.0,(-11.09,7.05,;-9.76,6.28,;-9.36,4.79,;-7.87,5.19,;-8.27,6.68,;-6.54,4.42,;-5.2,5.19,;-3.87,4.42,;-3.87,2.88,;-2.54,2.11,;-1.2,2.88,;.26,2.41,;.66,.92,;1.99,.15,;1.22,-1.19,;-.11,-.42,;2.69,-1.66,;2.69,-3.2,;1.22,-3.68,;.32,-2.43,;.83,-5.16,;1.91,-6.25,;-.66,-5.56,;-1.06,-7.05,;1.17,3.65,;2.71,3.65,;3.48,4.99,;2.71,6.32,;5.02,4.99,;5.92,6.23,;7.39,5.76,;7.39,4.22,;5.92,3.74,;8.72,3.45,;10.19,3.92,;11.09,2.68,;10.19,1.43,;8.72,1.91,;.26,4.9,;-1.2,4.42,;-2.54,5.19,)|
CC(C)(CO)CNCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.17,13.12,(57.21,-6.44,;56.45,-5.11,;55.68,-6.44,;55.12,-4.34,;53.79,-5.11,;57.79,-4.34,;59.13,-5.11,;60.46,-4.34,;61.79,-5.11,;61.79,-6.65,;63.13,-7.43,;64.47,-6.65,;65.94,-7.13,;66.42,-8.58,;67.8,-9.28,;67.1,-10.66,;65.73,-9.96,;68.61,-10.98,;68.76,-12.52,;67.35,-13.14,;66.33,-11.99,;67.02,-14.64,;68.16,-15.68,;65.55,-15.11,;65.23,-16.61,;66.85,-5.86,;68.39,-5.86,;69.15,-4.52,;68.37,-3.19,;70.69,-4.51,;71.57,-3.25,;73.04,-3.71,;73.05,-5.25,;71.59,-5.73,;74.3,-6.14,;75.76,-5.65,;76.67,-6.88,;75.78,-8.13,;74.32,-7.67,;65.93,-4.62,;64.46,-5.1,;63.12,-4.34,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccno3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccns3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|
Cc1ccc(cn1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:19.21,21.24,(6.75,5.35,;5.21,5.35,;4.44,4.02,;2.9,4.02,;2.13,5.35,;2.9,6.68,;4.44,6.68,;.59,5.35,;-.18,6.68,;-.18,4.02,;-1.72,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.62,2.77,;-2.22,1.28,;-.89,.51,;-1.66,-.82,;-2.99,-.05,;-.19,-1.3,;-.19,-2.84,;-1.66,-3.31,;-2.56,-2.07,;-2.06,-4.8,;-.97,-5.89,;-3.55,-5.2,;-3.94,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(cc3)C#N)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.71,-6.68,;-4.32,-5.2,;-2.83,-4.8,;-1.74,-5.89,;-2.43,-3.31,;-.96,-2.84,;-.96,-1.3,;-2.43,-.82,;-1.66,.51,;-2.99,1.28,;-3.76,-.05,;-3.39,2.77,;-2.49,4.02,;-.95,4.02,;-.18,5.35,;-.95,6.68,;1.36,5.35,;2.13,4.02,;3.67,4.02,;4.5,5.35,;3.67,6.68,;2.13,6.68,;6.04,5.35,;7.58,5.35,;-3.39,5.26,;-4.86,4.79,;-6.19,5.56,;-7.52,4.79,;-7.52,3.25,;-6.19,2.48,;-4.86,3.25,;-3.33,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3cccc(c3)-c3cnco3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.18,-8.54,;-3.78,-7.05,;-2.3,-6.65,;-1.21,-7.74,;-1.9,-5.16,;-.43,-4.69,;-.43,-3.15,;-1.9,-2.67,;-1.13,-1.34,;-2.46,-.57,;-3.23,-1.9,;-2.86,.92,;-1.95,2.17,;-.41,2.17,;.36,3.5,;-.41,4.83,;1.9,3.5,;2.67,2.17,;4.21,2.17,;4.98,3.5,;4.21,4.83,;2.67,4.83,;4.98,6.17,;6.52,6.17,;6.99,7.63,;5.75,8.54,;4.5,7.63,;-2.86,3.41,;-4.32,2.94,;-5.66,3.71,;-6.99,2.94,;-6.99,1.4,;-5.66,.63,;-4.32,1.4,;-2.8,-3.92,)|
CNc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:9.11,7.6,(58.28,-26.3,;59.61,-25.53,;60.95,-26.3,;60.94,-27.84,;62.28,-28.61,;63.62,-27.84,;65.1,-28.31,;65.58,-29.77,;66.95,-30.46,;66.26,-31.84,;64.89,-31.15,;67.76,-32.17,;67.91,-33.7,;66.5,-34.32,;65.48,-33.17,;66.18,-35.83,;67.31,-36.87,;64.71,-36.3,;64.38,-37.8,;66,-27.05,;67.54,-27.04,;68.3,-25.71,;67.53,-24.38,;69.84,-25.69,;70.73,-24.44,;72.19,-24.9,;72.2,-26.43,;70.75,-26.92,;73.45,-27.32,;74.91,-26.84,;75.82,-28.07,;74.93,-29.32,;73.47,-28.86,;65.08,-25.8,;63.61,-26.29,;62.28,-25.53,)|
CN(C(=O)C1CCOCC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.15,17.18,(-5.48,6.51,;-5.48,4.97,;-6.81,4.2,;-6.81,2.66,;-8.15,4.97,;-8.15,6.51,;-9.48,7.28,;-10.81,6.51,;-10.81,4.97,;-9.48,4.2,;-4.15,4.2,;-4.15,2.66,;-2.81,1.89,;-1.48,2.66,;-.01,2.18,;.38,.69,;1.72,-.08,;.95,-1.41,;-.39,-.64,;2.41,-1.89,;2.41,-3.43,;.95,-3.9,;.04,-2.66,;.55,-5.39,;1.64,-6.48,;-.94,-5.79,;-1.34,-7.28,;.89,3.43,;2.43,3.43,;3.2,4.76,;2.43,6.09,;4.74,4.76,;5.65,6.01,;7.11,5.53,;7.11,3.99,;5.65,3.51,;8.44,3.22,;9.91,3.7,;10.81,2.45,;9.91,1.2,;8.44,1.68,;-.01,4.67,;-1.48,4.2,;-2.81,4.97,)|
CN(C(=O)C1CC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.12,14.15,(-6.04,6.89,;-6.04,5.35,;-7.38,4.58,;-7.38,3.04,;-8.71,5.35,;-9.48,6.68,;-10.25,5.35,;-4.71,4.58,;-4.71,3.04,;-3.38,2.27,;-2.04,3.04,;-.58,2.57,;-.18,1.08,;1.15,.31,;.38,-1.03,;-.95,-.26,;1.85,-1.5,;1.85,-3.04,;.38,-3.52,;-.52,-2.27,;-.01,-5.01,;1.07,-6.09,;-1.5,-5.4,;-1.9,-6.89,;.33,3.81,;1.87,3.81,;2.64,5.14,;1.87,6.48,;4.18,5.14,;5.08,6.39,;6.55,5.91,;6.55,4.37,;5.08,3.9,;7.88,3.6,;9.35,4.08,;10.25,2.83,;9.35,1.59,;7.88,2.06,;-.58,5.06,;-2.04,4.58,;-3.38,5.35,)|
CN(C(C)=O)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,12.12,(-6.81,6.89,;-6.81,5.35,;-8.15,4.58,;-9.48,5.35,;-8.15,3.04,;-5.48,4.58,;-5.48,3.04,;-4.15,2.27,;-2.81,3.04,;-1.35,2.57,;-.95,1.08,;.38,.31,;-.39,-1.03,;-1.72,-.26,;1.08,-1.5,;1.08,-3.04,;-.39,-3.52,;-1.29,-2.27,;-.78,-5.01,;.3,-6.09,;-2.27,-5.4,;-2.67,-6.89,;-.44,3.81,;1.1,3.81,;1.87,5.14,;1.1,6.48,;3.41,5.14,;4.31,6.39,;5.78,5.91,;5.78,4.37,;4.31,3.9,;7.11,3.6,;8.58,4.08,;9.48,2.83,;8.58,1.59,;7.11,2.06,;-1.35,5.06,;-2.81,4.58,;-4.15,5.35,)|
CC(C)C(=O)N(C)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.11,14.14,(-10.15,4.58,;-8.81,5.35,;-8.81,6.89,;-7.48,4.58,;-7.48,3.04,;-6.15,5.35,;-6.15,6.89,;-4.81,4.58,;-4.81,3.04,;-3.48,2.27,;-2.15,3.04,;-.68,2.57,;-.28,1.08,;1.05,.31,;.28,-1.03,;-1.05,-.26,;1.75,-1.5,;1.75,-3.04,;.28,-3.52,;-.62,-2.27,;-.12,-5.01,;.97,-6.09,;-1.6,-5.4,;-2,-6.89,;.22,3.81,;1.76,3.81,;2.53,5.14,;1.76,6.48,;4.07,5.14,;4.98,6.39,;6.44,5.91,;6.44,4.37,;4.98,3.9,;7.78,3.6,;9.24,4.08,;10.15,2.83,;9.24,1.59,;7.78,2.06,;-.68,5.06,;-2.15,4.58,;-3.48,5.35,)|
COc1ccc(cn1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(7.14,6.68,;6.37,5.35,;4.83,5.35,;4.06,4.02,;2.52,4.02,;1.75,5.35,;2.52,6.68,;4.06,6.68,;.21,5.35,;-.56,6.68,;-.56,4.02,;-2.1,4.02,;-3.01,5.26,;-4.47,4.79,;-5.8,5.56,;-7.14,4.79,;-7.14,3.25,;-5.8,2.48,;-4.47,3.25,;-3.01,2.77,;-2.61,1.28,;-1.27,.51,;-2.04,-.82,;-3.38,-.05,;-.58,-1.3,;-.58,-2.84,;-2.04,-3.31,;-2.95,-2.07,;-2.44,-4.8,;-1.35,-5.89,;-3.93,-5.2,;-4.33,-6.68,)|
Fc1cccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c12 |r,wU:22.23,24.26,(-6.15,.94,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-6.15,5.56,;-4.81,4.79,;-3.35,5.26,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,;-4.81,3.25,)|
Fc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:8.10,6.5,(6.64,-6.08,;7.97,-6.84,;7.97,-8.39,;9.3,-9.16,;10.64,-8.39,;12.12,-8.86,;12.6,-10.32,;13.98,-11.01,;13.28,-12.39,;11.91,-11.7,;14.79,-12.72,;14.94,-14.25,;13.53,-14.87,;12.5,-13.72,;13.2,-16.38,;14.34,-17.41,;11.73,-16.84,;11.4,-18.35,;13.03,-7.6,;14.57,-7.59,;15.33,-6.25,;14.55,-4.92,;16.86,-6.24,;17.75,-4.98,;19.21,-5.45,;19.23,-6.98,;17.77,-7.47,;20.47,-7.87,;21.93,-7.39,;22.84,-8.62,;21.95,-9.87,;20.49,-9.4,;12.11,-6.35,;10.63,-6.84,;9.3,-6.07,)|
Fc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|
C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:17.17,19.20,1.0,(-7.48,6.89,;-7.48,5.35,;-8.81,4.58,;-10.15,5.35,;-11.48,4.58,;-11.48,3.04,;-10.15,2.27,;-8.81,3.04,;-6.15,4.58,;-6.15,3.04,;-4.81,5.35,;-4.81,6.89,;-3.48,4.58,;-3.48,3.04,;-2.15,2.27,;-.81,3.04,;.65,2.57,;1.05,1.08,;2.39,.31,;1.62,-1.03,;.28,-.26,;3.08,-1.5,;3.08,-3.04,;1.62,-3.52,;.71,-2.27,;1.22,-5.01,;2.31,-6.09,;-.27,-5.4,;-.67,-6.89,;1.56,3.81,;3.1,3.81,;3.87,5.14,;3.1,6.48,;5.41,5.14,;6.31,6.39,;7.78,5.91,;7.78,4.37,;6.31,3.9,;9.11,3.6,;10.58,4.08,;11.48,2.83,;10.58,1.59,;9.11,2.06,;.65,5.06,;-.81,4.58,;-2.15,5.35,)|
CN(C(=O)C1CCCCC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.15,17.18,(-5.48,6.51,;-5.48,4.97,;-6.81,4.2,;-6.81,2.66,;-8.15,4.97,;-8.15,6.51,;-9.48,7.28,;-10.81,6.51,;-10.81,4.97,;-9.48,4.2,;-4.15,4.2,;-4.15,2.66,;-2.81,1.89,;-1.48,2.66,;-.01,2.18,;.38,.69,;1.72,-.08,;.95,-1.41,;-.39,-.64,;2.41,-1.89,;2.41,-3.43,;.95,-3.9,;.04,-2.66,;.55,-5.39,;1.64,-6.48,;-.94,-5.79,;-1.34,-7.28,;.89,3.43,;2.43,3.43,;3.2,4.76,;2.43,6.09,;4.74,4.76,;5.65,6.01,;7.11,5.53,;7.11,3.99,;5.65,3.51,;8.44,3.22,;9.91,3.7,;10.81,2.45,;9.91,1.2,;8.44,1.68,;-.01,4.67,;-1.48,4.2,;-2.81,4.97,)|
Fc1cccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|
Fc1cccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c12 |r,wU:22.23,wD:24.26,(-6.15,.94,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-6.15,5.56,;-4.81,4.79,;-3.35,5.26,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,;-4.81,3.25,)|
Clc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|
Clc1cccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|
Clc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(Oc4ccccc4)nc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.48,-6.68,;-5.09,-5.2,;-3.6,-4.8,;-2.51,-5.89,;-3.2,-3.31,;-1.73,-2.84,;-1.73,-1.3,;-3.2,-.82,;-2.43,.51,;-3.76,1.28,;-4.53,-.05,;-4.16,2.77,;-3.26,4.02,;-1.72,4.02,;-.95,5.35,;-1.72,6.68,;.59,5.35,;1.36,4.02,;2.9,4.02,;3.67,5.35,;5.21,5.35,;5.98,4.02,;5.21,2.68,;5.98,1.35,;7.52,1.35,;8.29,2.68,;7.52,4.02,;2.9,6.68,;1.36,6.68,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.29,4.79,;-8.29,3.25,;-6.96,2.48,;-5.63,3.25,;-4.1,-2.07,)|
Fc1cccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,wD:9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|
Fc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,wD:8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|
Clc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,wD:23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|
Fc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,wD:23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|
Clc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,wD:8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|
OCc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:22.23,24.26,(-8.81,3.25,;-7.48,2.48,;-6.15,3.25,;-6.15,4.79,;-4.81,5.56,;-3.48,4.79,;-2.01,5.26,;-1.11,4.02,;.43,4.02,;1.2,5.35,;.43,6.68,;2.74,5.35,;3.65,6.6,;5.11,6.12,;5.11,4.58,;3.65,4.11,;6.44,3.81,;7.91,4.29,;8.81,3.04,;7.91,1.8,;6.44,2.27,;-2.01,2.77,;-1.62,1.28,;-.28,.51,;-1.05,-.82,;-2.39,-.05,;.41,-1.3,;.41,-2.84,;-1.05,-3.31,;-1.96,-2.07,;-1.45,-4.8,;-.36,-5.89,;-2.94,-5.2,;-3.34,-6.68,;-3.48,3.25,;-4.81,2.48,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Cn1nccc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(3.78,1.5,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccnn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccc(CN4CCOCC4)cc23)C1 |r,wU:9.11,7.10,(-2,-6.68,;-1.6,-5.2,;-.12,-4.8,;.97,-5.89,;.28,-3.31,;1.75,-2.84,;1.75,-1.3,;.28,-.82,;1.05,.51,;-.28,1.28,;-1.05,-.05,;-.68,2.77,;.22,4.02,;1.76,4.02,;2.53,5.35,;1.76,6.68,;4.07,5.35,;4.98,6.6,;6.44,6.12,;6.44,4.58,;4.98,4.11,;7.78,3.81,;9.24,4.29,;10.15,3.04,;9.24,1.8,;7.78,2.27,;-.68,5.26,;-2.15,4.79,;-3.48,5.56,;-4.81,4.79,;-4.81,3.25,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-8.81,5.56,;-10.15,4.79,;-10.15,3.25,;-8.81,2.48,;-3.48,2.48,;-2.15,3.25,;-.62,-2.07,)|
OCc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:22.23,wD:24.26,(-8.81,3.25,;-7.48,2.48,;-6.15,3.25,;-6.15,4.79,;-4.81,5.56,;-3.48,4.79,;-2.01,5.26,;-1.11,4.02,;.43,4.02,;1.2,5.35,;.43,6.68,;2.74,5.35,;3.65,6.6,;5.11,6.12,;5.11,4.58,;3.65,4.11,;6.44,3.81,;7.91,4.29,;8.81,3.04,;7.91,1.8,;6.44,2.27,;-2.01,2.77,;-1.62,1.28,;-.28,.51,;-1.05,-.82,;-2.39,-.05,;.41,-1.3,;.41,-2.84,;-1.05,-3.31,;-1.96,-2.07,;-1.45,-4.8,;-.36,-5.89,;-2.94,-5.2,;-3.34,-6.68,;-3.48,3.25,;-4.81,2.48,)|
Cc1csc(c1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,6.79,;4.96,6.02,;4.96,4.48,;3.5,4,;2.59,5.25,;3.5,6.49,;1.05,5.25,;.28,6.58,;.28,3.91,;-1.26,3.91,;-2.16,5.16,;-3.63,4.68,;-4.96,5.45,;-6.3,4.68,;-6.3,3.14,;-4.96,2.37,;-3.63,3.14,;-2.16,2.67,;-1.76,1.18,;-.43,.41,;-1.2,-.92,;-2.53,-.15,;.26,-1.4,;.26,-2.94,;-1.2,-3.41,;-2.11,-2.17,;-1.6,-4.9,;-.51,-5.99,;-3.09,-5.3,;-3.49,-6.79,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3cccs3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(=O)[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-3.94,-6.68,;-3.55,-5.2,;-2.06,-4.8,;-.97,-5.89,;-1.66,-3.31,;-.19,-2.84,;-.19,-1.3,;-1.66,-.82,;-.89,.51,;-2.22,1.28,;-2.99,-.05,;-2.62,2.77,;-1.72,4.02,;-.18,4.02,;.59,5.35,;-.18,6.68,;2.13,5.35,;2.9,6.68,;4.44,6.68,;5.21,5.35,;6.75,5.35,;4.44,4.02,;2.9,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.56,-2.07,)|
Cn1ccc(cc1=O)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(6.75,5.35,;5.21,5.35,;4.44,6.68,;2.9,6.68,;2.13,5.35,;2.9,4.02,;4.44,4.02,;5.21,2.68,;.59,5.35,;-.18,6.68,;-.18,4.02,;-1.72,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.62,2.77,;-2.22,1.28,;-.89,.51,;-1.66,-.82,;-2.99,-.05,;-.19,-1.3,;-.19,-2.84,;-1.66,-3.31,;-2.56,-2.07,;-2.06,-4.8,;-.97,-5.89,;-3.55,-5.2,;-3.94,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C(=O)Nc3cccnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.94,-6.68,;-5.54,-5.2,;-4.05,-4.8,;-2.96,-5.89,;-3.66,-3.31,;-2.19,-2.84,;-2.19,-1.3,;-3.66,-.82,;-2.89,.51,;-4.22,1.28,;-4.99,-.05,;-4.62,2.77,;-3.71,4.02,;-2.17,4.02,;-1.4,5.35,;-2.17,6.68,;.14,5.35,;1.04,6.6,;2.51,6.12,;2.51,4.58,;1.04,4.11,;3.6,3.49,;3.2,2,;5.08,3.89,;6.17,2.8,;5.77,1.31,;6.86,.23,;8.35,.62,;8.75,2.11,;7.66,3.2,;-4.62,5.26,;-6.08,4.79,;-7.42,5.56,;-8.75,4.79,;-8.75,3.25,;-7.42,2.48,;-6.08,3.25,;-4.56,-2.07,)|
C=CC(=O)N1CC[C@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccc(CN4CCCC4)cc23)C1 |r,wU:9.11,wD:7.10,(-2.15,-6.68,;-1.75,-5.2,;-.27,-4.8,;.82,-5.89,;.13,-3.31,;1.6,-2.84,;1.6,-1.3,;.13,-.82,;.9,.51,;-.43,1.28,;-1.2,-.05,;-.83,2.77,;.08,4.02,;1.62,4.02,;2.39,5.35,;1.62,6.68,;3.93,5.35,;4.83,6.6,;6.3,6.12,;6.3,4.58,;4.83,4.11,;7.63,3.81,;9.09,4.29,;10,3.04,;9.09,1.8,;7.63,2.27,;-.83,5.26,;-2.29,4.79,;-3.63,5.56,;-4.96,4.79,;-4.96,3.25,;-6.3,2.48,;-7.63,3.25,;-7.63,4.79,;-9.09,5.26,;-10,4.02,;-9.09,2.77,;-3.63,2.48,;-2.29,3.25,;-.77,-2.07,)|
COc1cccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:8.7,10.10,(-4.81,7.28,;-6.15,6.51,;-6.15,4.97,;-7.48,4.2,;-7.48,2.66,;-6.15,1.89,;-4.81,2.66,;-3.35,2.18,;-2.95,.69,;-1.62,-.08,;-2.39,-1.41,;-3.72,-.64,;-.92,-1.89,;-.92,-3.43,;-2.39,-3.9,;-3.29,-2.66,;-2.78,-5.39,;-1.7,-6.48,;-4.27,-5.79,;-4.67,-7.28,;-2.44,3.43,;-.9,3.43,;-.13,4.76,;-.9,6.09,;1.41,4.76,;2.31,6.01,;3.78,5.53,;3.78,3.99,;2.31,3.51,;5.11,3.22,;6.58,3.7,;7.48,2.45,;6.58,1.2,;5.11,1.68,;-3.35,4.67,;-4.81,4.2,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-n3cccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C(=O)N3CCOCC3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.49,-6.79,;-5.09,-5.3,;-3.6,-4.9,;-2.51,-5.99,;-3.2,-3.41,;-1.74,-2.94,;-1.74,-1.4,;-3.2,-.92,;-2.43,.41,;-3.77,1.18,;-4.54,-.15,;-4.16,2.67,;-3.26,3.91,;-1.72,3.91,;-.95,5.25,;-1.72,6.58,;.59,5.25,;1.5,6.49,;2.96,6.02,;2.96,4.48,;1.5,4,;4.29,3.71,;4.29,2.17,;5.63,4.48,;6.96,3.71,;8.3,4.48,;8.3,6.02,;6.96,6.79,;5.63,6.02,;-4.16,5.16,;-5.63,4.68,;-6.96,5.45,;-8.3,4.68,;-8.3,3.14,;-6.96,2.37,;-5.63,3.14,;-4.11,-2.17,)|
Cc1noc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;5.11,2.27,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
Cc1nc(no1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;5.11,2.27,;5.11,3.81,;6.58,4.29,;7.48,3.04,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
Cc1nnc(o1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;5.11,2.27,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
COc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.97,2.26,;7.64,1.49,;6.31,2.26,;6.31,3.81,;4.95,4.58,;3.62,3.81,;3.62,2.27,;4.96,1.48,;2.28,4.58,;2.28,6.12,;.82,6.6,;-.09,5.35,;.82,4.11,;-1.63,5.35,;-2.4,6.68,;-2.4,4.02,;-3.94,4.02,;-4.84,5.26,;-6.31,4.79,;-7.64,5.56,;-8.97,4.79,;-8.97,3.25,;-7.64,2.48,;-6.31,3.25,;-4.84,2.77,;-4.44,1.28,;-3.11,.51,;-3.88,-.82,;-5.21,-.05,;-2.42,-1.3,;-2.42,-2.84,;-3.88,-3.31,;-4.79,-2.07,;-4.28,-4.8,;-3.19,-5.89,;-5.77,-5.2,;-6.17,-6.68,)|
COc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(7.62,-.83,;6.29,-.06,;6.3,1.48,;4.95,2.27,;4.95,3.81,;6.28,4.58,;7.64,3.81,;7.64,2.26,;3.62,4.58,;3.62,6.12,;2.15,6.6,;1.25,5.35,;2.15,4.11,;-.29,5.35,;-1.06,6.68,;-1.06,4.02,;-2.6,4.02,;-3.51,5.26,;-4.97,4.79,;-6.31,5.56,;-7.64,4.79,;-7.64,3.25,;-6.31,2.48,;-4.97,3.25,;-3.51,2.77,;-3.11,1.28,;-1.78,.51,;-2.55,-.82,;-3.88,-.05,;-1.08,-1.3,;-1.08,-2.84,;-2.55,-3.31,;-3.45,-2.07,;-2.94,-4.8,;-1.86,-5.89,;-4.43,-5.2,;-4.83,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cc[nH]c(=O)c3)nc3ccccc23)C1 |r,wU:7.6,9.11,(11.17,-39.5,;11.5,-38,;12.96,-37.53,;14.1,-38.57,;13.29,-36.02,;14.7,-35.41,;14.55,-33.87,;13.05,-33.54,;13.74,-32.16,;12.37,-31.47,;11.68,-32.85,;11.89,-30.01,;12.79,-28.75,;14.33,-28.74,;15.09,-27.41,;14.32,-26.08,;16.63,-27.39,;17.52,-26.14,;18.98,-26.6,;18.99,-28.14,;17.54,-28.62,;20.24,-29.02,;21.64,-28.38,;22.89,-29.29,;22.74,-30.82,;21.33,-31.45,;21.18,-32.99,;20.08,-30.56,;11.87,-27.5,;10.4,-27.99,;9.06,-27.23,;7.74,-28,;7.73,-29.54,;9.07,-30.31,;10.41,-29.54,;12.27,-34.87,)|
COC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wD:21.23,23.26,(-.44,-6.19,;.97,-5.56,;1.13,-4.03,;2.54,-3.4,;-.11,-3.12,;-1.58,-3.6,;-2.48,-2.35,;-1.58,-1.11,;-.11,-1.58,;-2.05,.36,;-1.02,1.5,;-3.56,.68,;-4.04,2.14,;-5.5,2.62,;-5.5,4.16,;-6.65,5.19,;-6.33,6.7,;-4.86,7.17,;-3.72,6.14,;-4.04,4.63,;-3.13,3.39,;-1.59,3.39,;-.5,2.3,;.59,3.39,;-.5,4.48,;1.49,2.14,;2.96,2.62,;2.96,4.16,;1.49,4.63,;4.2,5.06,;4.04,6.6,;5.61,4.44,;6.86,5.34,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccc(=O)[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.49,-6.68,;-5.09,-5.2,;-3.6,-4.8,;-2.51,-5.89,;-3.2,-3.31,;-1.74,-2.84,;-1.74,-1.3,;-3.2,-.82,;-2.43,.51,;-3.77,1.28,;-4.54,-.05,;-4.16,2.77,;-3.26,4.02,;-1.72,4.02,;-.95,5.35,;-1.72,6.68,;.59,5.35,;1.5,6.6,;2.96,6.12,;2.96,4.58,;1.5,4.11,;4.29,3.81,;5.63,4.58,;6.96,3.81,;6.96,2.27,;8.3,1.5,;5.63,1.5,;4.29,2.27,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.11,-2.07,)|
CCNC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C(=O)N3CCCC3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.34,-6.68,;-4.94,-5.2,;-3.45,-4.8,;-2.36,-5.89,;-3.05,-3.31,;-1.59,-2.84,;-1.59,-1.3,;-3.05,-.82,;-2.28,.51,;-3.62,1.28,;-4.39,-.05,;-4.02,2.77,;-3.11,4.02,;-1.57,4.02,;-.8,5.35,;-1.57,6.68,;.74,5.35,;1.65,6.6,;3.11,6.12,;3.11,4.58,;1.65,4.11,;4.44,3.81,;4.44,2.27,;5.78,4.58,;7.24,4.11,;8.15,5.35,;7.24,6.6,;5.78,6.12,;-4.02,5.26,;-5.48,4.79,;-6.81,5.56,;-8.15,4.79,;-8.15,3.25,;-6.81,2.48,;-5.48,3.25,;-3.96,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccccc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Cc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,3.81,;4.96,4.58,;4.96,6.12,;3.5,6.6,;2.59,5.35,;3.5,4.11,;1.05,5.35,;.28,6.68,;.28,4.02,;-1.26,4.02,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,)|
CCC(=O)Nc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(8.3,4.58,;6.96,3.81,;5.63,4.58,;5.63,6.12,;4.29,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(NC(=O)C4CCCC4)s3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-6,-6.68,;-5.61,-5.2,;-4.12,-4.8,;-3.03,-5.89,;-3.72,-3.31,;-2.26,-2.84,;-2.26,-1.3,;-3.72,-.82,;-2.95,.51,;-4.28,1.28,;-5.05,-.05,;-4.68,2.77,;-3.78,4.02,;-2.24,4.02,;-1.47,5.35,;-2.24,6.68,;.07,5.35,;.98,6.6,;2.44,6.12,;2.44,4.58,;3.78,3.81,;5.11,4.58,;5.11,6.12,;6.44,3.81,;6.44,2.27,;7.91,1.8,;8.81,3.04,;7.91,4.29,;.98,4.11,;-4.68,5.26,;-6.15,4.79,;-7.48,5.56,;-8.81,4.79,;-8.81,3.25,;-7.48,2.48,;-6.15,3.25,;-4.62,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C#C)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.15,-6.68,;-3.75,-5.2,;-2.27,-4.8,;-1.18,-5.89,;-1.87,-3.31,;-.4,-2.84,;-.4,-1.3,;-1.87,-.82,;-1.1,.51,;-2.43,1.28,;-3.2,-.05,;-2.83,2.77,;-1.93,4.02,;-.38,4.02,;.38,5.35,;-.38,6.68,;1.93,5.35,;2.83,6.6,;4.29,6.12,;4.29,4.58,;2.83,4.11,;5.63,3.81,;6.96,3.04,;-2.83,5.26,;-4.29,4.79,;-5.63,5.56,;-6.96,4.79,;-6.96,3.25,;-5.63,2.48,;-4.29,3.25,;-2.77,-2.07,)|
Cn1cc(ccc1=O)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(5.63,-.04,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;6.96,2.27,;8.3,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
Cn1ccc(cc1=O)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;5.63,-.04,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(NC(=O)c4cccnc4)s3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-6.15,-6.68,;-5.75,-5.2,;-4.27,-4.8,;-3.18,-5.89,;-3.87,-3.31,;-2.4,-2.84,;-2.4,-1.3,;-3.87,-.82,;-3.1,.51,;-4.43,1.28,;-5.2,-.05,;-4.83,2.77,;-3.93,4.02,;-2.39,4.02,;-1.62,5.35,;-2.39,6.68,;-.08,5.35,;.83,6.6,;2.29,6.12,;2.29,4.58,;3.63,3.81,;4.96,4.58,;4.96,6.12,;6.3,3.81,;7.63,4.58,;8.96,3.81,;8.96,2.27,;7.63,1.5,;6.3,2.27,;.83,4.11,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.77,-2.07,)|
Cn1cc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;5.11,2.27,;5.11,3.81,;6.58,4.29,;7.48,3.04,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Brc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,3.81,;4.96,4.58,;4.96,6.12,;3.5,6.6,;2.59,5.35,;3.5,4.11,;1.05,5.35,;.28,6.68,;.28,4.02,;-1.26,4.02,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cc[nH]n3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|
CNc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,2.27,;7.63,1.5,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;6.3,3.81,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccc(cc3)C#N)nc3ccccc23)C1 |r,wU:9.11,7.10,(-6.15,-6.68,;-5.75,-5.2,;-4.27,-4.8,;-3.18,-5.89,;-3.87,-3.31,;-2.4,-2.84,;-2.4,-1.3,;-3.87,-.82,;-3.1,.51,;-4.43,1.28,;-5.2,-.05,;-4.83,2.77,;-3.93,4.02,;-2.39,4.02,;-1.62,5.35,;-2.39,6.68,;-.08,5.35,;.83,6.6,;2.29,6.12,;2.29,4.58,;.83,4.11,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.34,2.24,;6.3,3.81,;4.96,4.58,;7.68,1.47,;9.01,.7,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.77,-2.07,)|
OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:7.6,9.9,(-8.3,4.79,;-6.96,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.5,2.77,;-1.1,1.28,;.24,.51,;-.53,-.82,;-1.87,-.05,;.93,-1.3,;.93,-2.84,;-.53,-3.31,;-1.44,-2.07,;-.93,-4.8,;.16,-5.89,;-2.42,-5.2,;-2.82,-6.68,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;6.96,3.81,;6.96,2.27,;8.3,4.58,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,)|
OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:7.6,9.9,(-8.81,4.79,;-7.48,5.56,;-6.15,4.79,;-6.15,3.25,;-4.81,2.48,;-3.48,3.25,;-2.01,2.77,;-1.62,1.28,;-.28,.51,;-1.05,-.82,;-2.39,-.05,;.41,-1.3,;.41,-2.84,;-1.05,-3.31,;-1.96,-2.07,;-1.45,-4.8,;-.36,-5.89,;-2.94,-5.2,;-3.34,-6.68,;-1.11,4.02,;.43,4.02,;1.2,5.35,;.43,6.68,;2.74,5.35,;3.65,6.6,;5.11,6.12,;5.11,4.58,;3.65,4.11,;6.44,3.81,;7.91,4.29,;8.81,3.04,;7.91,1.8,;6.44,2.27,;-2.01,5.26,;-3.48,4.79,;-4.81,5.56,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)N3CCCC3=O)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;3.78,1.5,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccc(c3)C#N)nc3ccccc23)C1 |r,wU:9.11,7.10,(-6.15,-6.68,;-5.75,-5.2,;-4.27,-4.8,;-3.18,-5.89,;-3.87,-3.31,;-2.4,-2.84,;-2.4,-1.3,;-3.87,-.82,;-3.1,.51,;-4.43,1.28,;-5.2,-.05,;-4.83,2.77,;-3.93,4.02,;-2.39,4.02,;-1.62,5.35,;-2.39,6.68,;-.08,5.35,;.83,6.6,;2.29,6.12,;2.29,4.58,;.83,4.11,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;6.34,3.84,;4.96,4.58,;7.68,4.61,;9.01,5.38,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.77,-2.07,)|
Cn1cncc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(3.78,1.5,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|
Fc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,-.04,;6.3,1.5,;4.96,2.27,;4.96,3.81,;6.3,4.58,;7.63,3.81,;7.63,2.27,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|
Fc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cncnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Nc1cncc(c1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3c[nH]nc3C3CC3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.96,-6.97,;-4.56,-5.49,;-3.08,-5.09,;-1.99,-6.18,;-2.68,-3.6,;-1.21,-3.12,;-1.21,-1.58,;-2.68,-1.11,;-1.91,.23,;-3.24,1,;-4.01,-.34,;-3.64,2.48,;-2.73,3.73,;-1.19,3.73,;-.42,5.06,;-1.19,6.4,;1.12,5.06,;2.02,6.31,;3.49,5.83,;3.49,4.29,;2.02,3.82,;4.82,3.52,;4.82,1.98,;6.28,1.51,;7.19,2.75,;6.28,4,;6.68,5.49,;7.77,6.57,;6.28,6.97,;-3.64,4.97,;-5.1,4.5,;-6.44,5.27,;-7.77,4.5,;-7.77,2.96,;-6.44,2.19,;-5.1,2.96,;-3.58,-2.35,)|
OCC(F)(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(6.89,1.5,;5.55,2.27,;5.55,3.81,;7.04,3.41,;6.64,4.9,;4.22,4.58,;4.22,6.12,;2.75,6.6,;1.85,5.35,;2.75,4.11,;.31,5.35,;-.46,6.68,;-.46,4.02,;-2,4.02,;-2.91,5.26,;-4.37,4.79,;-5.71,5.56,;-7.04,4.79,;-7.04,3.25,;-5.71,2.48,;-4.37,3.25,;-2.91,2.77,;-2.51,1.28,;-1.17,.51,;-1.94,-.82,;-3.28,-.05,;-.48,-1.3,;-.48,-2.84,;-1.94,-3.31,;-2.85,-2.07,;-2.34,-4.8,;-1.25,-5.89,;-3.83,-5.2,;-4.23,-6.68,)|
CNc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:27.33,25.28,(47.22,-29.18,;45.97,-28.29,;44.57,-28.94,;43.31,-28.05,;41.92,-28.68,;41.77,-30.22,;43.02,-31.11,;44.42,-30.48,;40.67,-27.79,;40.66,-26.26,;39.19,-25.8,;38.3,-27.05,;39.21,-28.28,;36.77,-27.07,;35.99,-25.74,;36.01,-28.4,;34.47,-28.41,;33.55,-27.16,;32.08,-27.65,;30.74,-26.89,;29.41,-27.66,;29.41,-29.2,;30.74,-29.97,;32.09,-29.2,;33.56,-29.67,;34.04,-31.13,;35.42,-31.82,;34.72,-33.2,;33.35,-32.51,;36.23,-33.53,;36.38,-35.06,;34.97,-35.68,;33.95,-34.53,;34.64,-37.19,;35.78,-38.22,;33.17,-37.66,;32.85,-39.16,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Cc1ncncc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,6.12,;6.3,4.58,;7.63,3.81,;7.63,2.27,;6.3,1.5,;4.96,2.27,;4.96,3.81,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|
Cc1ncc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnc4[nH]ccc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|
CNc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Nc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(69.86,-5.85,;68.46,-6.5,;68.32,-8.04,;66.91,-8.67,;65.66,-7.78,;65.81,-6.25,;67.21,-5.61,;64.56,-5.35,;64.55,-3.82,;63.09,-3.36,;62.2,-4.61,;63.11,-5.84,;60.66,-4.63,;59.89,-3.3,;59.9,-5.96,;58.36,-5.97,;57.44,-4.72,;55.97,-5.21,;54.63,-4.45,;53.31,-5.22,;53.3,-6.76,;54.64,-7.53,;55.98,-6.76,;57.46,-7.23,;57.94,-8.69,;59.31,-9.38,;58.62,-10.76,;57.24,-10.07,;60.12,-11.09,;60.27,-12.63,;58.86,-13.24,;57.84,-12.09,;58.53,-14.75,;59.67,-15.79,;57.07,-15.22,;56.74,-16.72,)|
CNc1cccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
CNc1cncc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Nc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;6.96,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
CNc1cncc(c1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
OCc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,2.27,;7.63,1.5,;6.3,2.27,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
CNc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
OCc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Cc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;6.96,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cncnc3)nc2c1 |r,wU:7.6,9.9,(-8.96,4.79,;-7.63,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,;-1.26,4.02,;.28,4.02,;1.05,5.35,;.28,6.68,;2.59,5.35,;3.5,6.6,;4.96,6.12,;4.96,4.58,;3.5,4.11,;6.3,3.81,;6.3,2.27,;7.63,1.5,;8.96,2.27,;8.96,3.81,;7.63,4.58,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,)|
Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)|
Cc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,-.04,;6.3,1.5,;4.96,2.27,;4.96,3.81,;6.3,4.58,;7.63,3.81,;7.63,2.27,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cncc4[nH]ccc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|
OCC(F)(F)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,12.12,(-9.48,5.45,;-8.15,4.68,;-6.81,5.45,;-6.04,6.79,;-7.58,6.79,;-5.48,4.68,;-5.48,3.14,;-4.15,2.37,;-2.81,3.14,;-1.35,2.67,;-.95,1.18,;.38,.41,;-.39,-.92,;-1.72,-.15,;1.08,-1.4,;1.08,-2.94,;-.39,-3.41,;-1.29,-2.17,;-.78,-4.9,;.3,-5.99,;-2.27,-5.3,;-2.67,-6.79,;-.44,3.91,;1.1,3.91,;1.87,5.25,;1.1,6.58,;3.41,5.25,;4.31,6.49,;5.78,6.02,;5.78,4.48,;4.31,4,;7.11,3.71,;8.58,4.18,;9.48,2.94,;8.58,1.69,;7.11,2.17,;-1.35,5.16,;-2.81,4.68,;-4.15,5.45,)|
Nc1cncc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnc4[nH]ncc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|
OCC(F)(F)c1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,wD:12.12,(-9.48,5.45,;-8.15,4.68,;-6.81,5.45,;-6.04,6.79,;-7.58,6.79,;-5.48,4.68,;-5.48,3.14,;-4.15,2.37,;-2.81,3.14,;-1.35,2.67,;-.95,1.18,;.38,.41,;-.39,-.92,;-1.72,-.15,;1.08,-1.4,;1.08,-2.94,;-.39,-3.41,;-1.29,-2.17,;-.78,-4.9,;.3,-5.99,;-2.27,-5.3,;-2.67,-6.79,;-.44,3.91,;1.1,3.91,;1.87,5.25,;1.1,6.58,;3.41,5.25,;4.31,6.49,;5.78,6.02,;5.78,4.48,;4.31,4,;7.11,3.71,;8.58,4.18,;9.48,2.94,;8.58,1.69,;7.11,2.17,;-1.35,5.16,;-2.81,4.68,;-4.15,5.45,)|
Cc1n[nH]cc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,5.77,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CC#CC(=O)NCCCC(=O)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc(C(=O)CCCNC(=O)C#CC)n2ccnc(N)c12
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12 |r|
C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C=C)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|
Fc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|
Fc1cccc(F)c1COc1ccc(cc1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)\C=C\CN(C)C
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:19:21:26.27.28:24.23|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:29:28:21.22.27:25.24|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C[C@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN([C@@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C(=C)CN(C)C
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:21:23:28.29.30:25.26|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:31:30:23.24.29:27.26|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C[C@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N(C)[C@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N(C)[C@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CCCC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CN(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)CN(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CCN(C)CC3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C#CC
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C(C)=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N3CCN(CC3)C(=O)OC(C)(C)C)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCNC(=O)CCCCC3SCC4NC(=O)NC34)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1OC |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCC2(CN(C2)C(=O)C=C)C1
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C
CCC(=O)Nc1ncc(Sc2cc(C(=O)N3CCCN([C@H](C)C3)C(=O)C=C)c(OC)cc2C)s1 |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN4CCOCC4)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(F)c(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
CCC(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(C[C@@H]3C)C(=O)C=C)c(OC)cc2C)s1 |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2CN([C@@H]2C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(CCC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CC[C@@H](C)N(CC1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC(F)C1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN[C@H](C)C(C)(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C(C)(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
Cc1cc(CSc2cnc(NC(=O)C3CC3)s2)cc(C(=O)N2CCCN(CC2)C(=O)C=C)c1C
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1F |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1Cl |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)cc(C)c1C |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(C)c(C)c(Sc2cnc(NC(=O)C3CC3)s2)c1 |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN(CC(F)C1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
Cc1cc(c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C(F)(F)F |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C(F)(F)F |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(C[C@@H]1C)C(=O)C=C |r|
Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C
Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCCN(CC1)C(=O)C=C
C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
Cc1cnc(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C
COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|
Cc1cc(Cl)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|
C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(F)cc1C |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(F)cc1C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CCC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cnsc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CCC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccncc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C(=C)CN(C)C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccnc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cnn(C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cocn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cnsc3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)\C=C\CN(C)C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3nccn3C)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cn(C)cn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1Cl |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cnn(CCN(C)C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
C=CC(=O)N1CCN(CC1)C(=O)c1cccc(Cc2cnc(NC(=O)C3CC3)s2)c1
COc1cc(C)c(Cc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1CC |r|
CCc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
CCc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
CN(C)Cc1cccc(c1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(=O)C=C)c(C)cc2C)s1
Cc1cc(C)c(cc1Sc1cnc(NC(=O)c2cnn(C)c2)s1)C(=O)N1CCN(CC1)C(=O)C=C
Cc1cc(C)c(cc1Sc1cnc(NC(=O)c2ccsc2)s1)C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)N(C)C)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnn(C)c3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnn(CCN(C)C)c3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)c(C)cc1OC |r|
Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
CC(=O)Nc1ncc(Sc2cc(C(=O)N3CCN([C@@H](C3)C#N)C(=O)C=C)c(C)cc2C)s1 |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
CN(C)Cc1cccc(c1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN([C@@H](C3)C#N)C(=O)C=C)c(C)cc2C)s1 |r|
Cc1cc(Cl)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Cc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
COc1cc(C)c(Cc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccn(C)c3)s2)c(C)cc1OC |r|
Cc1cc(C)c(cc1Sc1cnc(Nc2ccccn2)s1)C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ccc(CN(C)C)cn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ncccc3C)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C=C)C(C)c1cnc(Nc2ccccn2)s1
Cc1cnc(Nc2ncc(Sc3cc(C(=O)N4CCN(CC4)C(=O)C=C)c(C)cc3C)s2)c(C)c1
Cc1cnc(Nc2ncc(Sc3cc(C(=O)N4CCN(CC4)C(=O)C=C)c(C)cc3C)s2)c(C)n1
COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C=C)C(C)c1cnc(NC(=O)C2CC2)s1
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:23:25:30.31.32:27.28|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:32:31:24.25.30:27.28|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:33:32:25.26.31:28.29|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1nccs1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|
CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|
CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|
CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|
COC\C=C\C(=O)N[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cscn2)c2c(N)nccn12 |r|
CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1
CN(Cc1ccc(Oc2nc(Nc3cccc(OCCN4CCCC4=O)c3)ncc2F)cc1)C(=O)C=C
COc1ccc(Nc2ncc(C(=O)NC3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
CCC1(OCCCOc2ccc(Nc3ncc(F)c(N[C@@H]4CCCN(C4)C(=O)C=C)n3)cc2)OCC(C)(C)CO1 |r|
Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12 |r|
CCC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12 |r|
CCC1(OCCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)OCC(C)(C)CO1
Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1Nc1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4OCCOCCOCCOc4c3)nc3[nH]cnc23)c1
CCC(=O)Nc1cccc(Nc2nc(Nc3ccc4OCCOCCOCCOc4c3)nc3[nH]cnc23)c1
CCC1(OCCCOc2ccc(Nc3ncc(F)c(Nc4ccccc4NC(=O)C=C)n3)cc2)OCC(C)(C)CO1
Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1Nc1ccccc1NC(=O)C=C
C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12
CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCNC3C(=O)C#CC)n3ccnc(C)c23)c1F |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(-c3nc4cc(N(C)C(=O)[C@H](C)N5CCOCC5)c(C)cc4[nH]3)c1C2 |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(-c3nc4cc(N(C)C(=O)[C@@H](C)N5CCOCC5)c(C)cc4[nH]3)c1C2 |r|
C[C@H](C1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCN(C(=O)[C@H](C)N1CCOCC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(-c3nc4cc(ccc4[nH]3)N(C)C(=O)[C@H](C)C3CCOCC3)c1C2 |r|
CC(C1CCOCC1)C(=O)N(C)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@@H](C1CCOCC1)C(=O)N(C)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CCOCC1)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(ccc2[nH]1)N(C)C(=O)C(F)(F)C1CCOCC1 |r|
C[C@H](C1CCOCC1)C(=O)N(C)c1cc(F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)[C@H](Cc12)C3(F)F |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCN(C(=O)[C@H](C)N1CCOCC1)c1cc(F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(CC)cc2[nH]1 |r|
COc1cc2[nH]c(nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1Br)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1C#N)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1=O)C(=O)N(C)c1cc(F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(cc(F)c2[nH]1)N(C)C(=O)[C@@H](C)N1CCOCC1=O |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2c(F)c1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCN(C(=O)[C@H](C)N1CCOCC1)c1cc2nc([nH]c2c(F)c1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCO[C@H](CO)C1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCOC(CO)C1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCO[C@@H](CO)C1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCOC(C)(C)C1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@@H]1CN(CC(=O)N(C)c2cc3nc([nH]c3cc2C)-c2n[nH]c3C[C@@]4(C)C[C@H]4Cc23)CCO1 |r|
C[C@H]1CN(CC(=O)N(C)c2cc3nc([nH]c3cc2C)-c2n[nH]c3C[C@@]4(C)C[C@H]4Cc23)CCO1 |r|
C[C@@H]1CN(CC(=O)N(C)c2cc3nc([nH]c3cc2C)-c2n[nH]c3C[C@@]4(C)C[C@H]4Cc23)C[C@@H](C)O1 |r|
C[C@H]1CN(CC(=O)N(C)c2cc3nc([nH]c3cc2C)-c2n[nH]c3C[C@@]4(C)C[C@H]4Cc23)C[C@H](C)O1 |r|
CN(C(=O)CN1CCOCC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CCOCC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)CN3CCOCC3=O)c(C)cc2[nH]1 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(Br)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(C#N)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(cc(O)c2[nH]1)N(C)C(=O)[C@H](C)N1CCOCC1 |r|
COc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)C(F)(F)F |r|
COCc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(Cl)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(CO)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
[H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(C)c(F)c2[nH]1 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2c(C)c1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(C(F)F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COCCOc1cc2[nH]c(nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(C)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc(C)c2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)[C@H](Cc12)C3(F)F |r|
C[C@H](N1CCOCC1)C(=O)Nc1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
[H][C@]12Cc3c(C[C@@]1(C)C2(F)F)[nH]nc3-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(C)cc2[nH]1 |r|
CN(C(=O)CC1CCOCC1)c1cc2nc([nH]c2cc1C#N)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](C1CCOCC1)C(=O)N(C)c1cc(C#N)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
Fc1cccc(F)c1Oc1ccc(cc1)-n1nc([C@H]2CCCN(C2)C(=O)C=C)c2c(F)cncc12 |r|
Fc1cc(F)c(F)c(Oc2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1 |r|
Fc1cccc(F)c1Oc1ccc(cc1)-n1nc([C@@H]2CN(CCO2)C(=O)C=C)c2c(F)cncc12 |r|
Fc1ccc(F)c(Oc2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1 |r|
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
C[C@H](C1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C(F)(F)C1CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C)[C@H](N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC[C@H](N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C(F)(F)C1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)Cn1cccn1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@@H](C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)n1cccn1 |r|
C[C@H](C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)n1cccn1 |r|
CC(C1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@@H](C1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C(F)C1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)[C@H](F)C1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)[C@@H](F)C1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12 |r|
C[C@H](N1CCOCC1)C(=O)N(CCO)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C)(N1CCOCC1)C(=O)Nc1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc2[nH]c(nc2nc1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCN(C(=O)[C@H](C)C1CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12 |r|
CCN(C(=O)[C@@H](C)N1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(C)=O)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CCN(C(=O)[C@H](C)N1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCN(C(=O)[C@@H](C)N1CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)[C@H](Cc12)C3(F)F |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)[C@@H](Cc12)C3(F)F |r|
CN(C(C)=O)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@@H](N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)C[C@@H]3Cc12 |r|
CCN(C(=O)[C@H](C)N1CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)[C@H](Cc12)C3(F)F |r|
C[C@H](C1CCOCC1)C(=O)N(CCO)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](C1CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12 |r|
C[C@H](N1CCOCC1)C(=O)Nc1ccc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12 |r|
C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2nc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COc1nc2[nH]c(nc2cc1N(C)C(=O)CN1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COc1nc2[nH]c(nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCc1nc2[nH]c(nc2cc1N(C)C(=O)CN1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COCCOc1nc2[nH]c(nc2cc1N(C)C(=O)CN1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COCCOc1nc2[nH]c(nc2cc1N(C)C(=O)[C@@H](C)N1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COCCOc1nc2[nH]c(nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CC2CC(C1)O2)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@@H](N1CCCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CCCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CCCCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)CC3Cc12 |r|
CN(C(=O)CC1CC(F)(F)C1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CC2(CCC2)C1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CC2(CC2(F)F)C1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r,wU:30.33,wD:27.31,(-1.86,3.89,;-1.86,2.35,;-3.2,1.58,;-3.2,.04,;-4.53,2.35,;-5.86,1.58,;-7.34,2.01,;-7.77,.53,;-8.54,-.8,;-9.31,.53,;-10.11,1.85,;-10.85,.53,;-6.3,.1,;-.5,1.64,;-.5,.1,;.84,-.67,;2.17,.1,;3.63,-.38,;4.54,.87,;3.63,2.11,;2.17,1.64,;.84,2.41,;6.08,.87,;6.96,2.13,;8.43,1.68,;8.46,.14,;9.63,-.86,;9.34,-2.38,;10.85,-2.66,;9.05,-3.89,;7.88,-2.88,;6.72,-1.87,;7.01,-.36,)|
CN(C(=O)C1CCCCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C(C)(C)CN1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CC2(C1)CC(F)(F)C2)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1C[C@H]2[C@@H](C1)C2(F)F)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCOCC1=O)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCCOC1=O)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C12CC(F)(C1)C2)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C(C)(C)C1CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)CC3Cc12 |r|
CN(C(=O)C1(F)CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1(C)CCC(F)(F)CC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1(CCC1)C1CCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)CC3Cc12 |r|
CN(C(=O)[C@@H]1CCCCO1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCC1(CCOCC1)C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1(C)CC(F)(F)C1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)[C@H]1CCCCO1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)[C@@H]1[C@H]2COC[C@@H]12)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1(C)CCOCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCCC(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C)CC(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC(C)(C)C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C)CCC(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C)N(CC(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)C(C)=O |r|
CCC(C)CC(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CC1CCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C)C(=O)N(C)CC(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCCCC1=O)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(CC(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)C(C)=O |r|
CN(C(=O)C1CCCC1)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCC(CC)C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC[C@H](C)C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H]1C[C@@H](C1)C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r,wU:26.28,3.5,wD:1.0,23.26,(-9.33,4.03,;-8,3.25,;-7.66,1.75,;-6.16,2.08,;-6.5,3.59,;-4.82,1.31,;-4.72,-.22,;-3.49,2.07,;-3.6,3.61,;-2.1,1.4,;-2.1,-.14,;-.77,-.91,;.56,-.14,;2.03,-.62,;2.93,.63,;2.03,1.87,;.56,1.4,;-.77,2.17,;4.47,.63,;5.31,1.92,;6.8,1.52,;6.88,-.02,;8.08,-.99,;7.84,-2.51,;9.33,-2.91,;7.6,-4.03,;6.4,-3.06,;5.2,-2.09,;5.44,-.57,)|
CN(C(=O)C12CC(C1)C2)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C(C)(C)C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC[C@@H](C)C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCC(C)(C)C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H]1C[C@H](C1)C(=O)N(C)c1cnc2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r,wU:26.28,wD:3.5,23.26,1.0,(-9.26,4.14,;-7.95,3.33,;-7.59,1.83,;-6.09,2.19,;-6.45,3.68,;-4.78,1.38,;-4.78,-.16,;-3.42,2.06,;-3.42,3.6,;-2.05,1.35,;-2.05,-.19,;-.72,-1.01,;.62,-.19,;2.13,-.7,;3.01,.65,;2.13,1.77,;.65,1.35,;-.72,2.12,;4.55,.65,;5.47,1.9,;6.93,1.44,;6.93,-.1,;8.08,-1.12,;7.77,-2.63,;9.26,-3.03,;7.46,-4.14,;6.31,-3.12,;5.16,-2.1,;5.47,-.59,)|
CN(C(=O)C1CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)CC(C)(C)C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CC[C@H](C)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12 |r|
CN(C(=O)C(C)(C)C1CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CCC1(CCOCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1(F)CCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1CC(C)(C)C1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)CCC(C)(F)F)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1(F)CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)CC(C)(C)C(F)F)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1(C)CC(F)(F)C1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1(F)CCCCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CC(C)CC(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CC(C)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1(C)CCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1CCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CC(C)CCC(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CCC(CC)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CCCC(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1(C)CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1CCC(F)(F)CC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C12CC(C1)C2)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1(C)CCCCO1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)C1CCCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
CN(C(=O)CC1CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2CC(C)(C)CCc12
C[C@@H](N1C[C@H]2CC[C@@H]1CO2)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1C[C@H]2CC[C@@H]1CO2)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@@H](N1CCCCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCCCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(N1C2CC1COC2)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(N1CCCCC1)C(=O)N(C)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCCOC1=O)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(C)=O)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)[C@H](Cc12)C3(F)F |r|
CN(C(C)=O)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)[C@@H](Cc12)C3(F)F |r|
CC(=O)Nc1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCN(C(C)=O)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COc1cc2[nH]c(nc2cc1N(C)C(C)=O)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COCCOc1cc2[nH]c(nc2cc1N(C)C(C)=O)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(C)=O)c1cc2nc([nH]c2c(F)c1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(=O)Nc1cc2nc([nH]c2cc1Br)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@@H](N1CCCOC1=O)C(=O)N(C)c1cc(F)c2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCCOC1=O)C(=O)N(C)c1cc(F)c2nc([nH]c2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1(F)CCOCC1)c1cc2[nH]c(nc2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1C[C@H]2[C@@H](C1)C2(F)F)c1cc2[nH]c(nc2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(N1CCCCC1)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(N1CCCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCc1cc2[nH]c(nc2cc1N(C)C(C)=O)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(C)=O)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(N1CCCC1=O)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1CC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCCCC1=O)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(CC(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)C(C)=O |r|
CC(C)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)[C@H]1CCCO1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1(C)CC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
C[C@H](N1CCCC1=O)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCCC(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC[C@H](N1CCCC1=O)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C(C)(C)F)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)[C@@H]1CCOC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C)C(=O)N(C)CC(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCCC1=O)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1(F)CC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCC(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)CN1CCCCCC1=O)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CC(C)N(CC(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)C(C)=O |r|
CN(C(=O)C1CCC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCC(N1CCCC1=O)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CCOCC(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
COC(C)(C)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
CN(C(=O)C1CCOC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r|
Fc1cccc(Oc2ccc(cc2)-n2nc([C@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1F |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(C)ccn1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(I)ccn1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(F)cc1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(Cl)ccn1 |r|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1cc[nH]n1
O=C(Nc1ccn(Cc2ccccc2)n1)c1n[nH]c2ccccc12
O=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12
O=C(Nc1ncc(Cc2ccccc2)s1)c1n[nH]c2ccccc12
O=C(Nc1ncc(Cc2ccccc2)o1)c1n[nH]c2ccccc12
CC(C)(c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1
CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1 |r|
CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1 |r|
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2ccccc12
O=C(Nc1cnn(Cc2ccc(cc2)C#N)c1)c1n[nH]c2ccccc12
Clc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1
CN(C)Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1
CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
OC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
OC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
CC(C)(O)[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
CC(C)(O)[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2ccccc12
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1cn[nH]c1
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1ccccc1
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1ccncc1
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1cccnc1
Nc1ccc(cn1)-c1ccc2c(n[nH]c2c1)C(=O)Nc1cnn(Cc2cccc(c2)C#N)c1
CC1(O)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)C(C1CN(CCF)C1)c1ccccc1
CC12CC1Cc1c(C2)[nH]nc1C(=O)Nc1cnn(c1)C(CS(C)(=O)=O)c1cccnc1
CN1CCC2(CCc3c(C2)[nH]nc3C(=O)Nc2cnn(Cc3ccccc3)c2)C1=O
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1
COC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](CCS(C)(=O)=O)c1ccccc1 |r|
CC12CC1Cc1c(C2)[nH]nc1C(=O)Nc1cnn(Cc2ccccc2)c1
CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
CC1(CO)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCNCC1)c1ccccc1 |r|
CC1CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(CC3)CCc12
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2CCC(Cc12)c1cn[nH]c1
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3CC3Cc12
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(CCOC3)CCc12
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2CCCCc12
CN(C)C[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
CN(C)CC[C@@H](c1cccc(C)c1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C
CC1(C)CCc2[nH]nc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(COC3)CCc12
CN(C)CC[C@@H](c1cccc(Cl)c1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
FC1(F)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
CN(C(=O)c1cccnc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)c1ccc(Cl)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCC(F)(F)CC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)c1ccc(F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
COc1ccc(cc1)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)c1ccc(C)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)c1ccncc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN3CCC(O)C3)ccc12
C[C@@H](N(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C |r|
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CNCc3ccccc3)ccc12
C[C@H](N(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C |r|
CN(C)CCN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CNCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN)ccc12
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C1CCCCC1
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CNC3CCCCC3)ccc12
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)c1ccccc1
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CNc3ccccc3)ccc12
C[C@H](NCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C |r|
CN(C(=O)c1ccccc1)c1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1
CCC(C)NCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CC(C)CNCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
C[C@@H](NCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C |r|
CN(Cc1cccnc1)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1)C1CCCCC1
Cc1ncc(o1)-c1ccc(s1)C(=O)Nc1nc2cc(CNC3CCCCC3)ccc2n1CC(C)(C)O
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN3CCCCC3CO)ccc12
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN3CCCCC3)ccc12
CC1COCC(C)N1Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN3CCOCC3)ccc12
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1)c1ccccc1
Cc1ncc(o1)-c1ccc(s1)C(=O)Nc1nc2cc(CNc3ccccc3)ccc2n1CC(C)(C)O
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
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
Cc1cc(Nc2ccnc(n2)-c2ccccc2)n[nH]1
O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3ccccc3s2)n1 |r,wU:1.0,wD:4.7,(34.33,-8.73,;33,-9.52,;33.02,-11.06,;31.7,-11.84,;30.36,-11.09,;30.34,-9.56,;31.66,-8.77,;29.03,-11.88,;27.69,-11.14,;26.37,-11.93,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;25,-9.64,;26.32,-8.85,;26.29,-7.31,;27.5,-6.37,;27.47,-4.83,;28.92,-4.33,;29.52,-2.9,;31.04,-2.71,;31.98,-3.93,;31.38,-5.35,;29.86,-5.55,;28.98,-6.82,;27.67,-9.6,)|
Cc1cc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)n[nH]1 |r,wU:18.18,wD:21.22,(15.15,-15.42,;13.62,-15.27,;12.59,-16.41,;11.18,-15.78,;9.85,-16.56,;9.85,-18.1,;8.52,-18.87,;8.52,-20.41,;7.19,-21.18,;5.85,-20.41,;5.86,-18.87,;4.53,-18.1,;3.19,-18.87,;3.2,-20.42,;4.53,-21.18,;9.85,-21.18,;11.19,-20.41,;12.53,-21.18,;12.53,-22.72,;13.86,-23.48,;13.86,-25.02,;12.52,-25.79,;12.52,-27.33,;11.19,-25.02,;11.19,-23.48,;11.19,-18.86,;11.34,-14.26,;12.84,-13.93,)|
Cc1cc(Nc2cc(nc(N[C@H]3CC[C@H](O)CC3)n2)S(=O)(=O)c2ccccc2)n[nH]1 |r,wU:11.10,wD:14.14,(15.1,-16.36,;13.56,-16.21,;12.54,-17.36,;11.12,-16.73,;9.79,-17.5,;9.8,-19.04,;8.47,-19.81,;8.47,-21.35,;9.8,-22.12,;11.14,-21.35,;12.47,-22.12,;12.47,-23.66,;13.81,-24.42,;13.8,-25.96,;12.47,-26.73,;12.46,-28.27,;11.13,-25.96,;11.14,-24.42,;11.13,-19.8,;7.12,-22.12,;7.89,-23.45,;6.35,-23.44,;5.8,-21.35,;5.81,-19.81,;4.48,-19.04,;3.14,-19.81,;3.14,-21.36,;4.48,-22.12,;11.28,-15.2,;12.79,-14.88,)|
Cc1cc(Nc2cc(cc(N[C@H]3CC[C@H](O)CC3)n2)S(=O)(=O)c2ccccc2)n[nH]1 |r,wU:11.10,wD:14.14,(15.1,-16.36,;13.56,-16.21,;12.54,-17.35,;11.12,-16.72,;9.79,-17.5,;9.8,-19.04,;8.47,-19.81,;8.46,-21.35,;9.8,-22.12,;11.14,-21.35,;12.47,-22.12,;12.47,-23.66,;13.81,-24.42,;13.8,-25.96,;12.47,-26.73,;12.46,-28.27,;11.13,-25.96,;11.14,-24.42,;11.13,-19.8,;7.12,-22.12,;7.89,-23.45,;6.35,-23.44,;5.8,-21.35,;5.81,-19.81,;4.48,-19.04,;3.14,-19.81,;3.14,-21.36,;4.48,-22.12,;11.28,-15.2,;12.79,-14.88,)|
Cn1cnc(Nc2cc(cc(N[C@H]3CC[C@H](O)CC3)n2)S(=O)(=O)c2ccccc2)c1 |r,wU:12.11,wD:15.15,(11.72,-7.94,;10.19,-7.78,;9.41,-6.45,;7.91,-6.78,;7.75,-8.3,;6.42,-9.08,;6.42,-10.61,;5.09,-11.39,;5.09,-12.93,;6.42,-13.7,;7.76,-12.93,;9.1,-13.7,;9.1,-15.24,;10.43,-15.99,;10.43,-17.54,;9.09,-18.31,;9.09,-19.85,;7.76,-17.53,;7.76,-16,;7.75,-11.38,;3.75,-13.69,;4.51,-15.02,;2.98,-15.02,;2.42,-12.93,;2.43,-11.39,;1.1,-10.62,;-.25,-11.39,;-.23,-12.93,;1.1,-13.7,;9.16,-8.93,)|
Cc1cnc(Nc2cc(cc(N[C@H]3CC[C@H](O)CC3)n2)S(=O)(=O)c2ccccc2)s1 |r,wU:12.11,wD:15.15,(26,-11.56,;24.47,-11.4,;23.69,-10.07,;22.19,-10.39,;22.03,-11.92,;20.69,-12.69,;20.7,-14.23,;19.37,-15,;19.37,-16.55,;20.7,-17.32,;22.04,-16.55,;23.37,-17.31,;23.38,-18.85,;24.71,-19.61,;24.7,-21.15,;23.37,-21.92,;23.37,-23.46,;22.04,-21.15,;22.04,-19.62,;22.03,-15,;18.03,-17.31,;18.79,-18.64,;17.26,-18.64,;16.7,-16.54,;16.71,-15,;15.38,-14.23,;14.04,-15,;14.05,-16.55,;15.38,-17.31,;23.44,-12.55,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2nc3ccccc3s2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(11.37,-36.31,;11.37,-34.77,;12.71,-34,;12.71,-32.45,;11.38,-31.69,;10.04,-32.46,;10.04,-33.99,;11.38,-30.15,;10.04,-29.39,;8.7,-30.16,;7.37,-29.39,;7.37,-27.84,;8.7,-27.07,;8.7,-25.53,;10.03,-24.76,;10.19,-23.23,;11.7,-22.91,;12.46,-21.58,;13.99,-21.57,;14.77,-22.9,;14,-24.24,;12.47,-24.24,;11.44,-25.39,;10.04,-27.84,;6.03,-30.15,;6.79,-31.48,;5.26,-31.48,;4.7,-29.39,;4.71,-27.85,;3.38,-27.07,;2.04,-27.84,;2.05,-29.39,;3.38,-30.16,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)-c2ccccc2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(6.57,-15.01,;6.58,-13.47,;7.91,-12.7,;7.92,-11.16,;6.59,-10.4,;5.25,-11.16,;5.25,-12.7,;6.58,-8.86,;5.25,-8.09,;3.91,-8.86,;2.58,-8.09,;2.58,-6.55,;3.91,-5.78,;3.9,-4.24,;5.23,-3.46,;6.65,-4.09,;7.68,-2.95,;6.9,-1.62,;5.4,-1.94,;9.21,-3.1,;9.83,-4.51,;11.37,-4.67,;12.27,-3.42,;11.63,-2.01,;10.1,-1.86,;5.24,-6.54,;1.24,-8.86,;2,-10.19,;.47,-10.18,;-.1,-8.09,;-.09,-6.55,;-1.42,-5.78,;-2.76,-6.55,;-2.75,-8.1,;-1.42,-8.86,)|
COc1cccc(c1)-c1cc(Nc2cc(cc(N[C@H]3CC[C@H](O)CC3)n2)S(=O)(=O)c2ccccc2)n[nH]1 |r,wU:18.18,wD:21.22,(24.8,-7.73,;25.7,-6.49,;25.07,-5.08,;25.97,-3.83,;25.33,-2.42,;23.81,-2.27,;22.91,-3.52,;23.54,-4.92,;21.38,-3.36,;20.35,-4.51,;18.94,-3.88,;17.61,-4.65,;17.61,-6.19,;16.28,-6.96,;16.28,-8.51,;17.62,-9.28,;18.95,-8.5,;20.29,-9.27,;20.29,-10.81,;21.62,-11.57,;21.62,-13.11,;20.28,-13.88,;20.28,-15.42,;18.95,-13.11,;18.95,-11.58,;18.95,-6.95,;14.94,-9.27,;15.7,-10.6,;14.17,-10.6,;13.61,-8.5,;13.62,-6.96,;12.29,-6.19,;10.96,-6.96,;10.96,-8.51,;12.29,-9.27,;19.1,-2.35,;20.61,-2.03,)|
COc1ccc(cc1)-c1cc(Nc2cc(cc(N[C@H]3CC[C@H](O)CC3)n2)S(=O)(=O)c2ccccc2)n[nH]1 |r,wU:18.18,wD:21.22,(12.08,-20.69,;11.44,-19.28,;9.91,-19.13,;9.01,-20.38,;7.48,-20.22,;6.85,-18.81,;7.74,-17.57,;9.27,-17.72,;5.32,-18.66,;4.29,-19.8,;2.88,-19.17,;1.55,-19.95,;1.55,-21.49,;.22,-22.26,;.22,-23.8,;1.55,-24.57,;2.89,-23.8,;4.23,-24.57,;4.23,-26.11,;5.56,-26.87,;5.56,-28.41,;4.22,-29.18,;4.22,-30.72,;2.89,-28.41,;2.89,-26.87,;2.89,-22.25,;-1.12,-24.57,;-.36,-25.9,;-1.9,-25.89,;-2.45,-23.8,;-2.45,-22.26,;-3.78,-21.49,;-5.12,-22.26,;-5.1,-23.81,;-3.78,-24.57,;3.04,-17.65,;4.54,-17.32,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)-c2ccc(F)cc2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(22.41,-30.72,;22.41,-29.18,;23.75,-28.41,;23.75,-26.87,;22.42,-26.11,;21.08,-26.87,;21.08,-28.41,;22.42,-24.57,;21.08,-23.8,;19.75,-24.57,;18.41,-23.8,;18.41,-22.26,;19.74,-21.49,;19.74,-19.95,;21.07,-19.17,;22.48,-19.8,;23.51,-18.66,;22.74,-17.32,;21.23,-17.65,;25.04,-18.81,;25.67,-20.22,;27.2,-20.38,;28.1,-19.13,;29.63,-19.28,;27.46,-17.72,;25.94,-17.57,;21.08,-22.25,;17.07,-24.57,;17.83,-25.9,;16.3,-25.89,;15.74,-23.8,;15.75,-22.26,;14.42,-21.49,;13.09,-22.26,;13.09,-23.81,;14.42,-24.57,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)-c2ccc(cc2)C(F)(F)F)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(7.54,-17.72,;7.54,-16.18,;8.88,-15.41,;8.88,-13.86,;7.55,-13.11,;6.21,-13.87,;6.21,-15.4,;7.55,-11.57,;6.21,-10.8,;4.88,-11.57,;3.54,-10.8,;3.54,-9.26,;4.87,-8.48,;4.87,-6.94,;6.2,-6.17,;7.61,-6.8,;8.64,-5.65,;7.87,-4.32,;6.36,-4.65,;10.17,-5.81,;10.8,-7.22,;12.33,-7.38,;13.23,-6.13,;12.6,-4.72,;11.07,-4.57,;14.77,-6.28,;15.4,-7.68,;15.67,-5.03,;16.3,-6.28,;6.21,-9.25,;2.2,-11.57,;2.96,-12.9,;1.43,-12.89,;.87,-10.8,;.88,-9.26,;-.45,-8.49,;-1.79,-9.26,;-1.78,-10.8,;-.46,-11.57,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)-c2ccc(OC(F)(F)F)cc2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(5.56,-17.07,;5.57,-15.53,;6.9,-14.76,;6.91,-13.22,;5.58,-12.46,;4.24,-13.22,;4.24,-14.76,;5.57,-10.92,;4.24,-10.15,;2.9,-10.92,;1.57,-10.15,;1.57,-8.61,;2.9,-7.84,;2.89,-6.3,;4.22,-5.53,;5.64,-6.16,;6.66,-5.01,;5.89,-3.68,;4.39,-4,;8.2,-5.16,;8.82,-6.57,;10.35,-6.73,;11.26,-5.48,;12.79,-5.63,;13.42,-7.04,;14.95,-7.19,;12.52,-8.29,;14.18,-8.37,;10.62,-4.07,;9.09,-3.92,;4.23,-8.6,;.23,-10.92,;.99,-12.25,;-.56,-12.24,;-1.11,-10.15,;-1.1,-8.61,;-2.43,-7.84,;-3.77,-8.61,;-3.76,-10.16,;-2.43,-10.92,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)C2CCC2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(26.41,-16.6,;26.41,-15.06,;27.75,-14.29,;27.75,-12.74,;26.42,-11.99,;25.08,-12.75,;25.08,-14.28,;26.42,-10.45,;25.08,-9.68,;23.75,-10.45,;22.41,-9.68,;22.41,-8.14,;23.74,-7.36,;23.74,-5.82,;25.07,-5.05,;26.48,-5.68,;27.51,-4.53,;26.74,-3.2,;25.23,-3.53,;29.04,-4.69,;30.01,-5.89,;31.2,-4.92,;30.23,-3.72,;25.08,-8.13,;21.07,-10.45,;21.83,-11.78,;20.3,-11.77,;19.74,-9.68,;19.75,-8.14,;18.42,-7.37,;17.09,-8.14,;17.09,-9.68,;18.42,-10.45,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)C2CCCC2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(11.82,-31.11,;11.83,-29.57,;13.16,-28.8,;13.17,-27.26,;11.84,-26.5,;10.5,-27.26,;10.5,-28.8,;11.83,-24.96,;10.5,-24.19,;9.16,-24.96,;7.83,-24.19,;7.83,-22.65,;9.16,-21.88,;9.15,-20.34,;10.49,-19.56,;11.9,-20.19,;12.93,-19.05,;12.15,-17.72,;10.65,-18.04,;14.46,-19.19,;15.24,-20.52,;16.74,-20.2,;16.9,-18.67,;15.49,-18.04,;10.49,-22.64,;6.49,-24.96,;7.25,-26.29,;5.72,-26.28,;5.16,-24.19,;5.17,-22.65,;3.84,-21.88,;2.5,-22.65,;2.51,-24.2,;3.84,-24.96,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)C2CCCCC2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(26.39,-31.95,;26.39,-30.41,;27.73,-29.64,;27.73,-28.09,;26.4,-27.34,;25.06,-28.1,;25.06,-29.63,;26.4,-25.8,;25.06,-25.03,;23.73,-25.8,;22.39,-25.03,;22.39,-23.48,;23.72,-22.71,;23.72,-21.17,;25.05,-20.4,;26.46,-21.03,;27.49,-19.88,;26.71,-18.55,;25.21,-18.88,;29.01,-20.04,;29.64,-21.44,;31.16,-21.6,;32.07,-20.36,;31.44,-18.95,;29.91,-18.79,;25.06,-23.48,;21.05,-25.79,;21.81,-27.12,;20.28,-27.12,;19.72,-25.03,;19.73,-23.49,;18.4,-22.72,;17.07,-23.49,;17.07,-25.03,;18.4,-25.8,)|
Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1
C[C@H](NCc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1)C(C)(C)C |r|
CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N
[H][C@@]12C[C@]1(C)Cc1[nH]nc(C(=O)Nc3cnn(c3)[C@@H](C3CCS(=O)(=O)CC3)c3ccccc3)c1C2 |r|
CC12Cc3[nH]nc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3CC1C2(F)F
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCCCS1(=O)=O)c1ccccc1 |r|
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCCS(=O)(=O)C1)c1ccccc1 |r|
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCS(=O)(=O)C1)c1ccccc1 |r|
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CC[S+]([O-])CC1)c1ccccc1 |r,wU:19.22,(6.24,-16.51,;7.44,-16.22,;7.85,-15.06,;8.94,-15.9,;10,-17.05,;9.51,-18.51,;8.01,-18.84,;6.96,-17.71,;7.86,-20.36,;9.28,-20.98,;10.28,-19.84,;11.81,-20,;12.53,-19,;12.44,-21.4,;13.97,-21.56,;14.72,-22.89,;16.23,-22.57,;16.38,-21.03,;14.97,-20.41,;17.71,-20.26,;17.71,-18.72,;19.04,-17.95,;19.04,-16.41,;17.7,-15.64,;17.7,-14.41,;16.37,-16.42,;16.38,-17.96,;19.05,-21.03,;20.38,-20.26,;21.72,-21.03,;21.72,-22.57,;20.38,-23.34,;19.05,-22.57,)|
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCS(=O)(=O)CC1)c1ccccc1 |r|
CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](CS(C)(=O)=O)c1ccccc1 |r|
C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)Nc2ccccc2)s1
CC(C)C(CO)NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(ccc2C)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)[nH]1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(NC(C)=O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(s1)S(=O)Cc1cccc(c1)C(=O)N1CCN(CC1)C(C)=O
CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(C(=O)N3CCN(CC3)C(C)=O)c2C)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)c2ncccn2)s1
CN(C)c1ccc(cc1)C(=O)Nc1nc2ccc(SCc3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)cc2s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(c(c2)C(=O)N2CCN(CC2)C(C)=O)[N+]([O-])=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)c2nnn[nH]2)s1
CN(C)c1ccc(cc1)C(=O)Nc1nc(c(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1)-c1ccccc1
CN(C)c1ccc(cc1)C(=O)Nc1nc(C)c(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(\C=C\c2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)NCCNC(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(NC(C)=O)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)C(=O)c1cccc(CSc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)c1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CCO)CC2)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2nc(cs2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(N)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
COc1ccc(CSc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O
CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc[nH]3)s2)cc(C)c1C
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCOCC2)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(Cl)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CC(NCc1ccc([nH]1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C
COc1cc(CSc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc(c1)C(=O)N1CCN(CC1)C(C)=O
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(cc(c2)[N+]([O-])=O)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2nc(co2)C(=O)N2CCN(CC2)C(C)=O)s1
CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(CO)cc3)s2)cc(C)c1C
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SC\C=C\C(=O)N2CCN(CC2)C(C)=O)s1
CC1CCN(CC1)C(=O)c1cccc(CSc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)c1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(s2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1nccc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)n1
CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(cc3)N3CCNCC3)s2)cc(C)c1C
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(N)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(Cl)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(o2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncnc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)n1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3nccs3)s2)c1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Cc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(O)cc2C)s1
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc[nH]3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cccc(C(=O)N3CCN(CC3)C(C)=O)c2C)s1
CN(CC(O)=O)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CC(=O)N1CCN(CC1)C(=O)c1cccc(CNCc2cnc(NC(=O)c3ccc(cc3)C(C)(C)C)s2)c1
COc1ccc(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(C)cc2C)s1
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3C(O)=O)s2)cc1C(=O)N1CCN(CC1)C(C)=O
COCc1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(OC)cc2C)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(ccc2C)C(=O)N2CCN(CC2)C(C)=O)s1
OC(=O)C1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
CN(Cc1cnc(NC(=O)c2ccc(cc2)C(C)(C)C)s1)Cc1cccc(c1)C(=O)N1CCN(CC1)C(C)=O
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(OC(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3cccnc3)s2)c1
COc1cc(C)c(Sc2cnc(Nc3cc(C)cc(C)n3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cc(C)cc(C)n3)s2)ccc1O
CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1O
CC(=O)N1CCN(CC1)C(=O)c1cccc(COCc2cnc(NC(=O)c3ccc(cc3)C(C)(C)C)s2)c1
OC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(cc(c2)C(F)(F)F)C(=O)N2CCN(CC2)C(C)=O)s1
Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3cnccn3)s2)c1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(N)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CNCc1ccc([nH]1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCOCC3)c(OC)cc2C)s1
CCN1CCN(CC1)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1OC
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN(C)C
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(cc(C)c2C)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(N)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3ccccc3)s2)c1
CS(=O)(=O)NC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3ncccn3)s2)c1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(Cl)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(NC(C)=O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CCNCc1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(OC)cc2C)s1
CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O
CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3ccccn3)s2)c1
Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cnco3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2nc(NC(=O)c3cccs3)n(CCCN)c2c1
NC(=O)CCn1c(NC(=O)c2ccccc2)nc2cc(ccc12)C(=O)N(C1CCCCC1)C1CCCCC1
NCCCn1c(NC(=O)c2cccs2)nc2cc(NC(=O)C3CCCCC3)ccc12
CCCn1c(NC(=O)c2cccs2)nc2cc(ccc12)C(=O)N(C)C1CCCCC1
CN(C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1)c1ccccc1
COC(=O)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCc3ccccc3)c(NC(=O)c3cccs3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
NC(=O)CCn1c(NC(=O)c2ccc(Br)cc2)nc2cc(ccc12)C(=O)N(CC=C)C1CCCCC1
CCN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
CNC(=O)CCn1c(NC(=O)c2cccs2)nc2cc(ccc12)C(=O)N(C)C1CCCCC1
COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)C(=O)N(C)C1CCCCC1
CN(C1CCCCC1)C(=O)c1ccc2n(CCCO)c(NC(=O)c3cccs3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
NCCCn1c(NC(=O)c2cccs2)nc2ccccc12
CCOC(=O)CCn1c(NC(=O)c2cccs2)nc2cc(ccc12)C(=O)N(C)C1CCCCC1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2nc(NC(=O)c3cccs3)[nH]c2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCCC(N)=O)c(NC(=O)c3cccs3)nc2c1
NC(=O)CCn1c(NC(=O)c2ccsc2)nc2cc(ccc12)C(=O)NC1CCCCC1
CN(C1CCCCC1)C(=O)c1ccc2n(CCO)c(NC(=O)c3cccs3)nc2c1
CC(C)N(C)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCCCC(N)=O)c(NC(=O)c3cccs3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3C)nc2c1
NC(=O)CCn1c(NC(=O)c2ccccc2)nc2cc(ccc12)C(=O)N(CC=C)C1CCCCC1
CCN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1
NCCCn1c(NC(=O)c2cccs2)nc2cc(ccc12)C(=O)OC1CCCCC1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(F)cc3)nc2c1
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(F)c3)nc2c1
NC(=O)CCn1c(NC(=O)c2ccccc2)nc2cc(ccc12)C(=O)NC1CCCCC1
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl
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
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C#N)c(C)c3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(nc3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccoc3)nc2c1
CCCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CCCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccco3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccncc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(Br)c3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1
COc1cccc(c1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1
COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3C)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(C)c3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C)cc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C(C)=O)nc2c1
COC(=O)c1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C(O)=O)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C(N)=O)nc2c1
CNC(=O)c1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1
CN(C(=O)C1CCCCC1)c1ccc2n(C)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1
CCCCCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1
CC(C)n1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1
CN(C(=O)C1CCCCC1)c1ccc2n(CCc3ccccc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
COc1ccc(CCn2c(NC(=O)c3ccc(cc3)C#N)nc3cc(ccc23)N(C)C(=O)C2CCCCC2)cc1
COc1ccccc1CCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1
CN(C(=O)C1CCCCC1)c1ccc2n(CCc3ccc(Cl)cc3Cl)c(NC(=O)c3ccc(cc3)C#N)nc2c1
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1
CN(C(=O)C1CCCCC1)c1ccc2n(CC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CNC(=O)CCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1
CN(C)C(=O)CCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1
CN(C(=O)C1CCCCC1)c1ccc2n(CCN3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCCN3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(=O)N3CCNCC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(=O)N3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCc3ccccc3)c(CC(=O)c3ccc(Cl)cc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(N)nc2c1
CCN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CC(C)N(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(C)=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CCC(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CC(C)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CNc1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CC(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(CC(=O)c3ccc(cc3)C#N)nc2c1
COCCCn1c(NC(=O)c2ccc(cc2)C(F)(F)F)nc2cc(CN(C)C3CCCCC3)ccc12
COCCCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN(C)C3CCCCC3)ccc12
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CN(C)C3CCCCC3)ccc12
CNCc1ccc2n(CCCOC)c(NC(=O)c3ccc(cc3)C#N)nc2c1
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CNC3CCCCC3)ccc12
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CNc3ccccc3)ccc12
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CN(C)CC3CCCC3)ccc12
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CNCCOC)ccc12
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CN3CCOCC3)ccc12
COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(CN(C)C3CCCCC3)ccc12
COCCCn1c(NC(=O)c2cccc(Br)c2)nc2cc(CN(C)C3CCCCC3)ccc12
COCCCn1c(NC(=O)c2ccno2)nc2cc(CN(C)C3CCCCC3)ccc12
COCCCn1c(NC(=O)c2ccncc2)nc2cc(CN(C)C3CCCCC3)ccc12
COCCCn1c(NC(=O)c2cccnc2)nc2cc(CN(C)C3CCCCC3)ccc12
CN(Cc1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1)C1CCCCC1
CN(Cc1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1)C1CCCCC1
CN(Cc1ccc2n(CCCO)c(NC(=O)c3ccc(cc3)C#N)nc2c1)C1CCCCC1
CN(Cc1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccno3)nc2c1)C1CCCCC1
COCCCn1c(NC(=O)c2ccno2)nc2cc(CNC3CCCCC3)ccc12
COCCCn1c(NC(=O)c2ccno2)nc2cc(CNc3ccccc3)ccc12
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CNCC3CCN(C)CC3)ccc12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ncnc2sc(cc12)-c1ccncc1
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
FC(F)(F)c1ccc(CNC(=O)c2ccc3cc([nH]c3c2)-c2n[nH]cc2-c2ccccc2)cn1
O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
COCCNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1
CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1
Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
COCCNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1
FC(F)(F)c1ccc(CNC(=O)c2ccc3cc([nH]c3c2)-c2cc([nH]n2)-c2ccccc2)cn1
O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1
Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1
CNC(=O)c1ccc2c(CNCCCCO)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
CC(C)CN(C)C(=O)c1ccc2c(CNCCCO)c([nH]c2c1)-c1n[nH]cc1-c1ccccc1
Cn1nccc1CNC(=O)c1ccc2c(CO)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
CNC(=O)c1ccc2c(CNCc3ccncc3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
COc1ccc(CNCc2c([nH]c3cc(ccc23)C(=O)N(C)CC(C)C)-c2n[nH]cc2-c2ccccc2)cc1
CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1
CC(C)CN(C)C(=O)c1ccc2c(CNCc3ccc(F)cc3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
CC(C)CN(C)C(=O)c1ccc2c(CO)c([nH]c2c1)-c1n[nH]cc1-c1ccccc1
Cn1cncc1CNC(=O)c1ccc2c(CN3CCOCC3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
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|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
c1c([nH]c2ccccc12)-c1n[nH]c2ccccc12
COc1ccc2[nH]c(cc2c1)-c1n[nH]c2ccccc12
COc1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
COc1cccc2cc([nH]c12)-c1n[nH]c2ccccc12
Cc1ccc2[nH]c(cc2c1)-c1n[nH]c2ccccc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
OC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Cc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
Cc1ccc2c(n[nH]c2c1)-c1cc2ccccc2[nH]1
Fc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
Fc1ccc2c(n[nH]c2c1)-c1cc2ccccc2[nH]1
N#Cc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
N#Cc1ccc2c(n[nH]c2c1)-c1cc2ccccc2[nH]1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(C)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(C)ccc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(F)ccc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C#N
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(F)ccc12
c1c([nH]c2ccccc12)-c1n[nH]c2cccnc12
COc1ccc2[nH]c(cc2c1)-c1n[nH]c2cccnc12
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
COc1cccc2cc([nH]c12)-c1n[nH]c2cccnc12
Cc1ccc2[nH]c(cc2c1)-c1n[nH]c2cccnc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Brc1cccc2[nH]c(cc12)-c1n[nH]c2cccnc12
Brc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)c3ccco3)cc12
CC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)C1CCCCC1
O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1
COc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(C)=O)cc12
COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(OC)cc4[nH]3)c2c1
COc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CCCCC3)cc12
COc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)c3ccccc3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(C)(=O)=O)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3F)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
COc1cccc(c1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3cn(C)cn3)cc12
Cc1c(ncn1C)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
CC(CN(C)C)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
CC(=O)Nc1ccc2c(n[nH]c2c1)-c1cc2ccc(C)cc2[nH]1
COCC(=O)Nc1ccc2c(n[nH]c2c1)-c1cc2ccc(C)cc2[nH]1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(NC(=O)C3CCCCC3)ccc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(NC(=O)c3ccccc3)ccc12
OCC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
COCC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
CN(C)CC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
OC(C#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12)C1CCCC1
C(Cc1cccnc1)C#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
COCCNc1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
C(Nc1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12)C1CCCCC1
C1CN(CCO1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
CN(c1ccccc1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
O=C(NCC1CCCCC1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
O=C(NCc1ccccc1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
CN(Cc1ccccc1)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
CCN(CC)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
COCCN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
CN(Cc1ccco1)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
COCCc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
CN(C)CCc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
C(C1CCC1)c1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
C(C1CCCCC1)c1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
C(c1ccccc1)c1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
CCNC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)NC3CCCCC3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12
Cc1noc(C)c1NC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)NCc3ccccc3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)NCc3ccco3)cc12
CC(C)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
CC(C)CNc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCC3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCCCC3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCC(CC3)c3ccccc3)cc12 |(2.6,-40.4,;1.27,-41.19,;-.07,-40.43,;-1.39,-41.22,;-1.37,-42.75,;-2.5,-43.79,;-1.86,-45.19,;-.33,-45.02,;-.03,-43.51,;1.29,-42.72,;-2.32,-46.66,;-1.4,-47.91,;-2.31,-49.17,;-3.78,-48.7,;-5.13,-49.47,;-6.46,-48.7,;-6.46,-47.16,;-7.79,-46.39,;-7.79,-44.85,;-6.46,-44.07,;-6.46,-42.54,;-7.79,-41.76,;-9.12,-42.53,;-9.13,-44.08,;-7.78,-40.23,;-6.44,-39.47,;-6.44,-37.93,;-7.77,-37.15,;-9.11,-37.92,;-9.11,-39.46,;-5.13,-46.39,;-3.79,-47.15,)|
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NCC3CCCCC3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NCc3ccccc3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCNCC3)cc12
CN1CCC(CC1)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCN(Cc4ccccc4)CC3)cc12
CCC(=O)Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
NC(=O)Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
CC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
CN(C)CC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CCCCC3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CCOCC3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)c3ccccc3)cc12
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)cc12
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1nc(C)c(s1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCN(Cc4ccccc4)C3)cc12
CC(=O)N1CCC(CC1)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCCNC3)cc12
CCN1CCCC(C1)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCNC3)cc12
O=C(Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12)c1ccccc1
Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)C1CCCCC1
O=C(Cc1ccccc1)Nc1cc(c[nH]c1=O)-c1ccncc1
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)C#N
Cc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Cc1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
CCc1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
CCCc1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)C1CCCCC1
CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCC1
c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4
CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4
CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CNc1cc(F)cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CNc1cc(cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1)C#N |r|
O=C(Nc1ccc(cc1)N1CCCCC1)c1cc(c[nH]c1=O)-c1ccncc1
Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4
COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r|
COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C
NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
CCC(O)(CC)c1ccc2c(c([nH]c2c1)-c1n[nH]c2ccsc12)-c1ccc(OC)cc1
CC(C)(O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccsc12
CCC(O)(CC)c1cc(OCCN2CCOCC2)c2cc([nH]c2c1)-c1n[nH]c2ccsc12
CCOc1cc2[nH]c(nc2cc1F)-c1n[nH]cc1NC(=O)N(CC)CC
CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccsc12
Oc1ccc2nc([nH]c2c1)-c1n[nH]c2ccccc12
CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F
CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)-c1ccccc1
CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
CC(C)(C)c1ccc(CNC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
CC(=O)N1CCC[C@H](C1)n1nc(-c2cccc(c2)C(=O)NCc2ccc(cc2)C(C)(C)C)c2c(N)ncnc12 |r|
CC(=O)N1CCCC(C1)n1nc(-c2cccc(c2)C(=O)Nc2cccc(c2)C(C)(C)C)c2c(N)ncnc12
CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn(C3CCCN(C3)C(C)=O)c3ncnc(N)c23)cc1
CC(=O)N1CCC[C@H](C1)n1nc(-c2cccc(c2)C(=O)NCc2ccc(C)cc2)c2c(N)ncnc12 |r|
Cc1ccc(CNC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
CC(=O)N1CCC[C@H](C1)n1nc(-c2cccc(c2)C(=O)NCc2ccccc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C#C)c3ncnc(N)c23)cc1 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)\C=C\CN3CCN(CCN)CC3)c3ncnc(N)c23)cc1 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C#N)c3ncnc(N)c23)cc1 |r|
CC#CC(=O)N1CCC[C@H](C1)n1nc(-c2cccc(c2)C(=O)Nc2ccc(cc2)C(C)C)c2c(N)ncnc12 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)\C=C\CN3CCNCC3)c3ncnc(N)c23)cc1 |r|
CNC\C=C\C(=O)N1CCC[C@H](C1)n1nc(-c2cccc(c2)C(=O)Nc2ccc(cc2)C(C)C)c2c(N)ncnc12 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)\C=C\CO)c3ncnc(N)c23)cc1 |r|
[#6]-[#6](-[#6])-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)-c2nn(-[#6@@H]-3-[#6]-[#6]-[#6]-[#7](-[#6]-3)-[#6](=O)\[#6]=[#6](\[#6])-[#6])c3ncnc(-[#7])c23)cc1 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C(C)=C)c3ncnc(N)c23)cc1 |r|
C\C=C\C(=O)N1CCC[C@H](C1)n1nc(-c2cccc(c2)C(=O)Nc2ccc(cc2)C(C)C)c2c(N)ncnc12 |r|
CC(C)c1ccc(cc1)N(C)C(=O)c1cccc(c1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCC(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CCC(CC)NC(=O)c1cccc(c1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NC3CCCCC3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCCc3ccc(F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1ccc(CNC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCc3ccc(F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCc3ccc(nc3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCc3ccc(cc3)C#N)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)NCc3ccc(cc3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)nc1 |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)Nc3ccc(F)cn3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)Nc3ccc(F)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)Nc3cc(F)cc(F)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)Nc3ccc(F)c(F)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)Nc3ccc(F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c1 |r|
COc1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)Nc3cccc(c3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(=O)Nc3ccc(cc3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CS(=O)(=O)c1cccc(c1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CS(=O)(=O)c1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CS(=O)c1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3ccnc4ccccc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc4ncccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cnc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cncnc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CNc1ccc(cn1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
COc1ccc(cn1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3ccc(CO)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc4OCCOc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1ccc(cc1OC)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3cccc(OC(F)(F)F)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(OC(F)(F)F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cccc(c3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cccc(c1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
COc1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Nc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(45.45,-6.32,;44.05,-6.96,;42.79,-6.07,;41.4,-6.71,;41.25,-8.25,;42.5,-9.14,;43.9,-8.5,;40.15,-5.82,;40.13,-4.29,;38.67,-3.83,;37.78,-5.08,;38.69,-6.31,;36.25,-5.09,;35.47,-3.76,;35.49,-6.43,;33.95,-6.44,;33.03,-5.19,;31.56,-5.68,;30.22,-4.91,;28.89,-5.69,;28.89,-7.23,;30.22,-8,;31.56,-7.23,;33.04,-7.7,;33.52,-9.16,;34.9,-9.85,;34.2,-11.23,;32.83,-10.54,;35.71,-11.56,;35.86,-13.09,;34.45,-13.71,;33.42,-12.56,;34.12,-15.22,;35.26,-16.25,;32.65,-15.68,;32.32,-17.19,)|
CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2n1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.5,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.36,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3cccnc3s2)n1 |r,wU:1.0,wD:4.7,(34.33,-8.73,;33,-9.52,;33.02,-11.06,;31.7,-11.84,;30.36,-11.09,;30.34,-9.56,;31.66,-8.77,;29.03,-11.88,;27.69,-11.14,;26.37,-11.93,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.36,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;25,-9.64,;26.32,-8.85,;26.29,-7.31,;27.5,-6.37,;27.47,-4.83,;28.92,-4.33,;29.52,-2.9,;31.04,-2.71,;31.98,-3.93,;31.38,-5.35,;29.86,-5.55,;28.98,-6.82,;27.67,-9.6,)|
COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2n1 |r,wU:25.26,wD:22.22,(34.29,-5.26,;33.51,-3.93,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3ccc(cc3s2)C#N)n1 |r,wU:1.0,wD:4.7,(23.68,-13.98,;22.35,-14.78,;22.37,-16.32,;21.05,-17.1,;19.71,-16.35,;19.69,-14.81,;21.01,-14.02,;18.39,-17.14,;17.04,-16.39,;15.72,-17.18,;14.38,-16.44,;13.04,-17.23,;11.71,-16.46,;11.71,-14.92,;10.38,-14.14,;9.04,-14.92,;9.04,-16.46,;10.38,-17.22,;14.35,-14.9,;15.67,-14.1,;15.65,-12.56,;16.85,-11.63,;16.82,-10.09,;18.27,-9.58,;18.87,-8.16,;20.4,-7.96,;21.33,-9.19,;20.73,-10.61,;19.2,-10.8,;18.33,-12.08,;22.85,-8.99,;24.37,-8.8,;17.02,-14.86,)|
CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3ccc(cc3s2)C(F)(F)F)n1 |r,wU:1.0,wD:4.7,(34.33,-8.73,;33,-9.52,;33.02,-11.06,;31.7,-11.84,;30.36,-11.09,;30.34,-9.56,;31.66,-8.77,;29.03,-11.88,;27.69,-11.14,;26.37,-11.93,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;25,-9.64,;26.32,-8.85,;26.29,-7.31,;27.5,-6.37,;27.47,-4.83,;28.92,-4.33,;29.52,-2.9,;31.04,-2.71,;31.98,-3.93,;31.38,-5.35,;29.86,-5.55,;28.98,-6.82,;33.51,-3.74,;34.44,-4.96,;34.1,-2.32,;35.04,-3.73,;27.67,-9.6,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3ccc(Cl)cc3s2)n1 |r,wU:1.0,wD:4.7,(34.33,-8.73,;33,-9.52,;33.02,-11.06,;31.7,-11.84,;30.36,-11.09,;30.34,-9.56,;31.66,-8.77,;29.03,-11.88,;27.69,-11.14,;26.37,-11.93,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;25,-9.64,;26.32,-8.85,;26.29,-7.31,;27.5,-6.37,;27.47,-4.83,;28.92,-4.33,;29.52,-2.9,;31.04,-2.71,;31.98,-3.93,;33.51,-3.74,;31.38,-5.35,;29.86,-5.55,;28.98,-6.82,;27.67,-9.6,)|
Cc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:24.25,wD:21.21,(33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1 |r,wU:22.23,wD:19.19,(57.53,-16.46,;56.01,-16.27,;55.28,-14.93,;53.76,-15.22,;53.57,-16.74,;52.23,-17.49,;52.2,-19.03,;50.85,-19.77,;50.82,-21.31,;49.48,-22.06,;48.11,-21.34,;46.81,-22.18,;45.44,-21.47,;45.37,-19.93,;46.67,-19.1,;48.04,-19.8,;52.14,-22.11,;53.49,-21.36,;54.81,-22.16,;54.78,-23.7,;53.43,-24.44,;53.4,-25.98,;54.73,-26.78,;54.7,-28.32,;56.07,-26.03,;56.1,-24.49,;53.52,-19.82,;54.97,-17.41,)|
Cc1csc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)n1 |r,wU:22.23,wD:19.19,(55.81,-14.87,;55.16,-16.26,;55.9,-17.61,;54.85,-18.74,;53.45,-18.07,;52.11,-18.82,;52.09,-20.36,;50.73,-21.1,;50.71,-22.64,;49.36,-23.39,;47.99,-22.67,;46.7,-23.51,;45.33,-22.8,;45.26,-21.26,;46.55,-20.44,;47.92,-21.13,;52.03,-23.44,;53.37,-22.69,;54.69,-23.49,;54.67,-25.03,;53.31,-25.77,;53.29,-27.31,;54.61,-28.11,;54.58,-29.65,;55.95,-27.36,;55.98,-25.82,;53.4,-21.15,;53.65,-16.56,)|
COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(39.46,-21.76,;38.71,-20.41,;37.17,-20.38,;36.42,-19.04,;34.89,-19.01,;34.11,-20.32,;32.6,-20.62,;32.41,-22.14,;31.06,-22.88,;31.04,-24.42,;29.69,-25.17,;29.66,-26.7,;28.32,-27.45,;26.94,-26.74,;25.65,-27.57,;24.28,-26.86,;24.21,-25.33,;25.51,-24.5,;26.87,-25.2,;30.98,-27.5,;32.32,-26.75,;33.65,-27.55,;33.62,-29.09,;32.27,-29.83,;32.24,-31.37,;33.56,-32.17,;33.53,-33.71,;34.9,-31.42,;34.93,-29.88,;32.35,-25.21,;33.8,-22.8,;34.85,-21.67,;36.38,-21.7,)|
COc1ccc2nc(Nc3cc(nc(n3)N3CCC[C@H]3C(N)=O)C(F)(F)c3ccc(F)cc3)sc2c1 |r|
COc1ccc2nc(Nc3cc(nc(N[C@H]4CC[C@H](O)CC4)n3)C(F)(F)c3ccc(F)cc3)sc2c1 |r,wU:18.18,wD:15.14,(40.74,-21.58,;39.99,-20.23,;38.45,-20.2,;37.7,-18.85,;36.17,-18.83,;35.39,-20.14,;33.88,-20.44,;33.69,-21.95,;32.34,-22.7,;32.31,-24.24,;30.96,-24.98,;30.93,-26.52,;32.26,-27.32,;33.61,-26.57,;34.93,-27.37,;34.9,-28.91,;33.55,-29.65,;33.52,-31.19,;34.84,-31.98,;34.81,-33.52,;36.19,-31.24,;36.21,-29.7,;33.64,-25.03,;29.59,-27.26,;28.4,-28.25,;30.69,-28.36,;28.22,-26.55,;26.93,-27.39,;25.56,-26.68,;25.49,-25.14,;24.12,-24.43,;26.79,-24.31,;28.15,-25.01,;35.08,-22.61,;36.13,-21.48,;37.66,-21.51,)|
COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ncc(Cc3ccccc3)s2)cc(n1)C(F)(F)c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(16.64,-34.58,;16.67,-33.04,;15.34,-32.24,;15.37,-30.7,;16.72,-29.96,;18.04,-30.75,;18.01,-32.29,;16.75,-28.42,;15.43,-27.62,;15.46,-26.08,;14.14,-25.29,;14.17,-23.75,;15.51,-23,;15.7,-21.49,;17.21,-21.19,;17.96,-22.54,;19.49,-22.73,;20.42,-21.5,;21.94,-21.69,;22.87,-20.46,;22.27,-19.04,;20.73,-18.86,;19.81,-20.09,;16.91,-23.66,;12.79,-26.03,;12.76,-27.57,;14.08,-28.37,;11.42,-28.31,;10.23,-29.3,;12.4,-29.5,;10.05,-27.6,;8.75,-28.44,;7.38,-27.73,;7.31,-26.19,;5.94,-25.48,;8.61,-25.36,;9.97,-26.06,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Oc3ccc(F)cc3)cn2)cc(n1)C(F)(F)c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(28.55,-32.78,;28.57,-31.24,;27.25,-30.44,;27.28,-28.9,;28.63,-28.16,;29.95,-28.95,;29.92,-30.49,;28.66,-26.62,;27.34,-25.82,;27.37,-24.28,;26.05,-23.49,;26.07,-21.95,;27.38,-21.13,;28.74,-21.86,;30.05,-21.04,;30,-19.5,;31.31,-18.68,;32.67,-19.4,;32.71,-20.94,;34.07,-21.66,;35.38,-20.85,;36.74,-21.57,;35.32,-19.3,;33.96,-18.58,;28.63,-18.77,;27.32,-19.59,;24.69,-24.24,;24.67,-25.77,;25.99,-26.57,;23.33,-26.52,;22.13,-27.5,;24.3,-27.7,;21.96,-25.81,;20.66,-26.64,;19.29,-25.93,;19.22,-24.4,;17.85,-23.69,;20.52,-23.56,;21.88,-24.27,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc3ccccc3cn2)cc(n1)C(F)(F)c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(43.15,-16.86,;43.18,-15.32,;41.86,-14.53,;41.89,-12.99,;43.24,-12.24,;44.55,-13.04,;44.52,-14.57,;43.27,-10.7,;41.95,-9.91,;41.97,-8.37,;40.65,-7.57,;40.68,-6.03,;41.99,-5.22,;43.35,-5.94,;44.66,-5.12,;46.01,-5.85,;47.32,-5.03,;47.26,-3.49,;45.91,-2.77,;44.61,-3.58,;43.23,-2.86,;41.93,-3.68,;39.3,-8.32,;39.28,-9.86,;40.6,-10.65,;37.93,-10.6,;36.74,-11.58,;38.91,-11.79,;36.57,-9.89,;35.27,-10.72,;33.9,-10.01,;33.83,-8.48,;32.46,-7.77,;35.13,-7.65,;36.49,-8.35,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2n[nH]c3ccccc23)cc(n1)C(F)(F)c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(44.56,-17.27,;44.59,-15.73,;43.27,-14.93,;43.3,-13.39,;44.65,-12.65,;45.96,-13.44,;45.94,-14.98,;44.68,-11.11,;43.36,-10.32,;43.39,-8.78,;42.06,-7.98,;42.09,-6.44,;43.4,-5.62,;44.83,-6.2,;45.82,-5.02,;45.01,-3.71,;45.43,-2.24,;44.37,-1.13,;42.87,-1.5,;42.44,-2.98,;43.51,-4.09,;40.71,-8.73,;40.69,-10.27,;42.01,-11.06,;39.35,-11.01,;38.15,-11.99,;40.32,-12.19,;37.98,-10.3,;36.68,-11.13,;35.31,-10.42,;35.24,-8.89,;33.87,-8.18,;36.54,-8.06,;37.9,-8.76,)|
CS(=O)(=O)N1CCOC(CNc2nc(Cc3ccccc3)cc(Nc3cc(n[nH]3)-c3ccco3)n2)C1
NC(=O)C1CCN1c1nc(Cc2ccccc2)cc(Nc2cc(n[nH]2)C2CCC2)n1
NC(=O)[C@@H]1CCCN1c1nc(Nc2ncc(Cc3ccccc3)s2)cc(n1)C(F)(F)c1ccc(F)cc1 |r|
Cc1cc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2cc1C |r,wU:23.24,wD:20.20,(13.06,-1.23,;12.47,-2.65,;10.94,-2.85,;10.35,-4.27,;8.9,-4.77,;8.93,-6.32,;7.72,-7.25,;7.75,-8.8,;6.43,-9.59,;6.45,-11.13,;5.12,-11.92,;3.79,-11.15,;3.79,-9.61,;2.46,-8.83,;1.12,-9.6,;1.12,-11.14,;2.45,-11.91,;7.8,-11.87,;9.12,-11.08,;10.46,-11.83,;11.79,-11.04,;13.13,-11.79,;14.45,-11.01,;14.43,-9.46,;15.76,-8.67,;13.09,-8.71,;11.76,-9.5,;9.09,-9.55,;10.41,-6.76,;11.28,-5.49,;12.81,-5.29,;13.4,-3.88,;14.93,-3.68,)|
CN(C)Cc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cccnc1 |r|
O=C(Nc1nc2ccc(cc2s1)-c1ccccn1)[C@H]1C[C@@H]1c1ccccc1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1 |r|
CN(C)Cc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1nnn[nH]1 |r|
CN(C)Cc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1 |r|
CN(C)Cc1ccc(cc1)C1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1
CCN(CC)Cc1cc(ccc1OC)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1 |r|
O=C(Nc1nc2ccc(cc2s1)-c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(Nc1nc2ccc(cc2s1)-c1ccncc1)[C@H]1C[C@@H]1c1ccccc1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnn(C)c1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1C |r|
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cc[nH]c(=O)c1 |r|
COc1ccc(cc1)C1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cncc(CO)c1 |r|
COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)sc2c1 |r|
COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccn3)sc2c1 |r|
COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2c1 |r|
COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(cc3)C#N)sc2c1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(OC)cc2s1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
NC(=O)C(=C\c1cccc(c1)-c1cccc2[nH]ncc12)\C#N
Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c2c1C)C(N)=O
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12 |r|
Fc1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1
COc1cc2cn[nH]c2cc1-c1ccc(F)c2c(N)c(cnc12)C(N)=O
Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CNc1cccc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(Oc3cccc(NC(=O)C=C)c3)c12
CNc1cncc(c1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12
Fc1cnccc1-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(O[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
C1CN(CCO1)c1ccc(Nc2nc(Oc3ccccc3)c3c(c[nH]c3n2)-c2ccccc2)cc1
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(O[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
COc1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
C1CN(CCO1)c1ccc(Nc2nc(Oc3ccccc3)c3c(c[nH]c3n2)-c2ccncc2)cc1
Nc1cccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)nc3[nH]cc(-c4ccncc4)c23)c1
CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)nc3[nH]cc(-c4ccncc4)c23)c1
Nc1cccc(c1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cncc(c1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cc(ccn1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCS(=O)(=O)CC3)nc(Oc3ccccc3)c12
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)nc3[nH]cc(-c4ccncc4)c23)c1
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC3CCOCC3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC[C@@H]3CCCN3C(=O)C=C)c12 |r|
CCN1CCN(CC1)c1ccc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C=C)c3c(c[nH]c3n2)-c2cncc(NC)n2)cc1 |r|
CNc1cc(ccn1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CCC#C)CC3)nc(OC3CCN(CC3)C(=O)C=C)c12
CN(C)c1cccc(c1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC[C@H]3CCCN3C(=O)C=C)c12 |r|
CNc1cccc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12
Nc1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cccc(c1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC3CCCCC3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(O[C@H]3CCCN(C3)C(=O)C=C)c12 |r|
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC3CCN(CC3)C(=O)C=C)c12
Cc1cc(ccn1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(OCCOC)cc3)nc(Oc3ccccc3)c12
C1CN(CCO1)c1ccc(Nc2nc(Oc3ccccc3)c3c(c[nH]c3n2)-c2cccnc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CC#CC(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1
O=C(Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 |r|
c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CC[C@H](N1CCOCC1)C(=O)N(C)c1ccc2cc([nH]c2c1)-c1n[nH]c2CC(C)(C)CCc12 |r|
C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)\c(=N\C(=O)c3ccc(s3)C(F)F)[nH]c2c1)C(C)(C)C |r|
NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2ccccc12
C=CC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2ccccc12
CCC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2ccccc12
Cc1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cccc2[nH]1
CCC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(C)ccc12
Brc1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cccc2[nH]1
C=CC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C1CC1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cccc2[nH]1
CCC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)F
FC(F)(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cccc2[nH]1
CCC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)(F)F
C=CC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCC3(CC3)NC(=O)C=C)cccc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OC3CN(C3)C(=O)C=C)cccc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OC3CCN(C3)C(=O)C=C)cccc2[nH]1
FCC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)F
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)CCl)cccc2[nH]1
C\C=C\C(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)F
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)\C=C\C(F)(F)F)cccc2[nH]1
CN(C)C\C=C\C(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)F
CC#CC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)F
OC(c1ccccc1)(c1ccccc1)c1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
OC(c1ccccc1)c1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(Cc3ccccc3)cc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(cc2[nH]1)C(OC1CCOCC1)c1ccccc1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(cc2[nH]1)C(OCCC#C)c1ccccc1
CS(=O)(=O)CCOC(c1ccccc1)c1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(Cc3cccc(Cl)c3)cc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(Cc3cccc(c3)C(F)(F)F)cc2[nH]1
Cc1cccc(Cc2cc(OCCNC(=O)C=C)c3cc([nH]c3c2)-c2n[nH]c3cc(ccc23)C(F)F)c1
COc1ccccc1Cc1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
COc1cccc(Cc2cc(OCCNC(=O)C=C)c3cc([nH]c3c2)-c2n[nH]c3cc(ccc23)C(F)F)c1
COc1ccc(Cc2cc(OCCNC(=O)C=C)c3cc([nH]c3c2)-c2n[nH]c3cc(ccc23)C(F)F)cc1
COc1cccc(OC)c1Cc1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
Cc1cc(C)c(Cc2cc(OCCNC(=O)C=C)c3cc([nH]c3c2)-c2n[nH]c3cc(ccc23)C(F)F)c(C)c1
C=CC(=O)NCCOc1cc(Cc2ccccc2)cc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
CCc1ccnc(NC(=O)c2ccc(Oc3ccnc4ccc(NC(=O)C=C)cc34)cc2)c1
CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1
COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCCN1CCOCC1
CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(cc3)C(=O)N3CCCCC3)n2)c1
COc1cc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc(OC)c1
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(Cl)ccn1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(Br)ccn1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccccc1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(F)cc1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(Cl)cc1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccccc1 |r|
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccccc2F)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2F)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C#C)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2)cc1
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(C1)C(=O)C#C
NC(=O)c1c([nH]c2c(cnn12)C1CN(C1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CN(C2)C(=O)C#C)cc1
C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
COc1ccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Cc4ccccc4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Oc4ccccc4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(-c4ccccc4F)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(C4CCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(C4CC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
CN1CCN(CC1)c1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
NC(=O)COc1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
CC(=O)COc1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
CC(=O)c1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39|
Clc1cc(Cl)cc(NCC(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|
Clc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|
Fc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|
FC(F)(F)c1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|
Clc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|
c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)NC(=O)[C@@H](C4CC4)Nc5cc(cc(c5)Cl)F
FC(F)(F)c1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|
Fc1cc(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)(\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|
CC(C)Oc1ccc2cccc(-n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
CC#CC(=O)N1CCC[C@H]1n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)ncnc12 |r|
NC(=O)C1C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1c1ccc(Oc2ccccc2)cc1 |r,c:22|
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1
C[C@@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|
Cc1nnc2[nH]c(C)c(CC(=O)Nc3ncc(Cc4ccccc4F)s3)c(=O)n12
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c12)C(=O)CC#N |r|
CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Cc1cc(Oc2ccccc2)ccc1-c1nn([C@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Cc1cc(Oc2ccccc2)cc(C)c1-c1nn([C@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r,wD:18.19,(1.35,.46,;.58,1.79,;1.37,3.12,;.61,4.46,;1.39,5.78,;2.93,5.76,;3.72,7.09,;5.27,7.08,;6.02,5.73,;5.23,4.4,;3.69,4.43,;-.93,4.47,;-1.71,3.14,;-3.25,3.14,;-.96,1.81,;-1.65,.43,;-.93,-.93,;-2.01,-2.04,;-1.75,-3.56,;-2.85,-4.63,;-2.48,-6.12,;-1,-6.55,;.11,-5.48,;-.26,-3.98,;1.59,-5.89,;1.9,-7.09,;2.7,-4.83,;3.88,-5.17,;-3.38,-1.35,;-4.81,-1.92,;-6.02,-.97,;-5.8,.55,;-4.37,1.12,;-4.2,2.34,;-3.16,.17,)|
CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N
C=CC(=O)N1CC[C@H](C1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23 |r|
COC1CN(C1)c1cc(ccn1)-c1cnc(N)c(n1)-c1ccc(NC(=O)c2c(C)n(C)n(-c3cccc(OC)c3)c2=O)cn1
Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(N4CCN(CCCCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC