4048 SMILES Strings for Leucine-rich repeat serine/threonine-protein kinase 2

Compound Name
SMILES String
Cn1cc(\C=C\c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1
CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCOCC4)n(c3)C(C)C)c12
CN1CCc2c1cccc2-c1n[nH]c2ccnc(OC3CCOCC3)c12
CNC(=O)c1cccc(c1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C[C@H]1CCCN(C1)C(=O)CCc1[nH]nc2ccnc(NC3CCOCC3)c12 |r|
O=C(CCc1[nH]nc2ccnc(OC3CCCCC3)c12)N1CCC[C@@H](C1)c1ccccc1 |r|
O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCN(CC1)C1CC1
C1CC(CCO1)Nc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
CN1CCN(CC1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1CC1c1[nH]nc2ccnc(OC3CCCCC3)c12
C1CC1c1[nH]nc2ccnc(OC3CCOCC3)c12
CCC(C)Oc1nccc2n[nH]c(C3CC3)c12
Cc1[nH]nc2ccnc(OC3CCOC3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccco3)c12
C1CCC(C1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C(C1CCC1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCCCC3)c12
CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(c3)C(C)C)c12
CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCCC4)n(c3)C(C)C)c12
CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12
COc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(c3)C(C)C)c12
COc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12
CC(C)n1cc(cc1C(=O)N1CCOCC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(C)n1cc(cc1C(=O)N(C)C)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(C)n1cc(cc1C(=O)NC1COC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
O=C(N1CCOCC1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
FC(F)(F)COc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OCC(F)(F)F)c12
CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC(C)C(F)(F)F)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(n3)N3CCOCC3)c12
COc1nccc2[nH]nc(-c3cnn(c3)C3COC3)c12
COc1nccc2[nH]nc(-c3cnn(CC(F)(F)F)c3)c12
COc1nccc2[nH]nc(-c3cnn(CC4(C)COC4)c3)c12
C(C1CCOCC1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
FC(F)(F)Cn1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1CC(CO1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Cc1cc(cc(C)n1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
COc1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Fc1c(ccnc1N1CCOCC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
COc1cc(ccn1)-c1n[nH]c2ccnc(OC)c12
COc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
COc1nccc2[nH]nc(-c3ccnc(c3)C(F)(F)F)c12
COc1nccc2n[nH]c(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)c12
C1CCN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC1CCCN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1OCC1Nc1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1CN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Cn1cc(cn1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
COc1nccc2[nH]nc(-c3ccnc(c3)N3[C@H]4CC[C@@H]3COC4)c12 |r,THB:14:16:21.22.23:19.18|
COc1nccc2[nH]nc(-c3ccnc(c3)N3C[C@@H]4C[C@H]3CO4)c12 |r|
COc1nccc2[nH]nc(-c3ccnc(c3)N3CCCC3)c12
COc1nccc2[nH]nc(-c3ccnc(c3)-c3cnn(C)c3)c12
CC(C)n1cnc2ccc(cc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1OCC1n1cnc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1OCC1n1cnc2ccc(cc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
FC1(F)CC1Cn1cnc2ccc(cc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1CC(CO1)n1cnc2ccc(cc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1CC(CO1)n1cnc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Clc1ccccc1C#Cc1[nH]nc2ccnc(OC3CCOCC3)c12
O=C(N1CCOCC1)c1ccc(cc1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
CN(C)C(=O)c1ccc(cc1F)-c1[nH]nc2ccnc(OC3CCOCC3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccc4cn[nH]c4c3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccc4nc[nH]c4c3)c12
Cn1ncc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(C)n1cc2ccc(cc2n1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Cn1cnc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1C[C@H](CO1)n1cc(cn1)-c1c[nH]c2ccnc(OC3CCOCC3)c12 |r|
C1C[C@@H](CO1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12 |r|
Cc1[nH]nc2cc(nc(OC3CCCCC3)c12)C1CC1
C1CC(CCO1)Oc1nccc2[nH]nc(-c3cnc4ccccc4c3)c12
N#CCc1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
CN(C)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
CC(C)NC(=O)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
O=C(NC1CC1)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
N#Cc1cncc(c1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3cccc4[nH]ccc34)c12
C(N1CCOCC1)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
COc1cc(Nc2[nH]nc3ccnc(OC4CCOCC4)c23)ccn1
C1CC(CCO1)Oc1nccc2n[nH]c(Nc3ccncc3)c12
CC(C)n1cc(Nc2[nH]nc3ccnc(OC4CCOCC4)c23)cn1
CS(=O)(=O)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
COc1nccc2n[nH]c(-c3cccc(c3)S(C)(=O)=O)c12
CC(C)c1nc(n[nH]1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
CNC(=O)c1cccc(c1)-c1[nH]nc2cc(C)nc(OC3CCOCC3)c12
Cc1cc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c(OC2CCOCC2)n1
COc1nccc2n[nH]c(-c3ccc(cc3)S(C)(=O)=O)c12
N#Cc1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Cn1cccc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)c1=O
CC(Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12)C(F)(F)F
COCCOc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
O=C1OCCN1CCOc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OCCN3CCOC3=O)c12
COc1nccc2[nH]nc(-c3cnn(c3)C3CCOCC3)c12
COC(=O)c1[nH]nc2ccnc(NC3CCOCC3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3cnn(c3)C3CCOCC3)c12
Cc1[nH]nc2ccnc(NC3CCOCC3)c12
C1CC(CO1)Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
Cc1[nH]nc2ccnc(OC3CCCC3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3cccnc3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3ccncc3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3cncnc3)c12
N#Cc1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
N#Cc1ccc(cc1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CN(C)C(=O)c1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3cn[nH]c3)c12
CC(=O)Nc1ccccc1-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(=O)Nc1ccc(cn1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(=O)Nc1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CNC(=O)c1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CN(C)C(=O)c1ccc(cc1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CCn1cc(cn1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCC4)n(c3)C(C)C)c12
CC(C)n1cc(cc1C(=O)N1CCC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(C)Oc1nccc2[nH]nc(-c3ccnc(c3)C(=O)N3C[C@@H]4C[C@H]3CO4)c12 |r,TLB:18:20:26.25:23|
O=C(N1CCCC1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOC3)c12
COc1nccc2[nH]nc(-c3cnn(c3)C3CCOC3)c12
CNC(=O)c1cccc(c1)-c1[nH]nc2cc(C)nc(OC)c12
COc1nccc2[nH]nc(-c3ccnc(c3)N3C[C@H](C)O[C@H](C)C3)c12 |r|
CNc1nc(Nc2ccc(cc2Cl)-c2nnn[nH]2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2Cl)-c2nnnn2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2Cl)-c2nnn(C)n2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-n2cncn2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2cnn(C)c2)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-c2nc(C)no2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nnc(C)o2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2cncn2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2nnnn2C)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2cnnn2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2cnoc2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)-c2nccn2C)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)-c2cncn2C)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)-c2cnnn2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2nnn(C)n2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nccn2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2nnnn2C)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2cncn2C)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-c2nnnn2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2cnnn2C)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2c(C)nn(C)c2C)ncc1C(F)(F)F |(-1.75,2.87,;-3.08,2.1,;-3.08,.56,;-1.75,-.21,;-1.75,-1.75,;-.41,-2.52,;.92,-1.75,;.92,-.21,;2.25,.56,;2.25,2.1,;.92,2.87,;3.59,-.21,;3.59,-1.75,;2.25,-2.52,;2.25,-4.06,;4.92,.56,;6.38,.08,;6.78,-1.41,;7.29,1.33,;6.38,2.57,;6.78,4.06,;4.92,2.1,;3.59,2.87,;-3.08,-2.52,;-4.42,-1.75,;-4.42,-.21,;-5.75,.56,;-7.29,.56,;-5.75,2.1,;-6.52,-.78,)|
CNc1nc(Nc2ccc(cc2OC)-c2ccnn2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2c(C)noc2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-n2cnnn2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2ccnn2C)ncc1C(F)(F)F
CCNc1nc(Nc2cc(F)c(cc2OC)-c2nnc(C)o2)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-c2nnc(C)o2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nc(C)no2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2cnn(C)c2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2Cl)-c2nnc(C)o2)ncc1Cl
CNc1nc(Nc2ccc(cc2Cl)-c2nc(C)no2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)-c2cnn(C)c2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nc(C)no2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nnc(C)o2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)-c2cn(C)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2cnn(C)c2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-c2nncn2C)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-c2cnn(C)c2C(=O)N(C)C)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-n2nnnc2C)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-c2cnnn2C)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-c2cnn(c2)C2COC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(C)c(cc2OC)-n2nnnc2C)ncc1C(F)(F)F
CNc1nc(Nc2cc(C)c(cc2OC)-n2nnnc2COC)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-n2nc(C)cc2COC)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)-n2nc(C)cc2COC)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)-n2nnnc2COC)ncc1C(F)(F)F
CNc1nc(Nc2cc3OCCN(C)C(=O)c3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cc3OC(C)(C)C(=O)N(C)c3cc2OC)ncc1Cl
CNc1nc(Nc2cc3oc(cc3cc2OC)C(=O)N(C)C)ncc1C(F)(F)F
CNc1nc(Nc2cc3n(C)c(=O)n(C)c3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cc3oc(=O)n(C)c3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cc3nc(C)oc3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cc3C(=O)N(C)Cc3cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc3CN(C)C(=O)c3cc2Cl)ncc1Cl
CNc1nc(Nc2cc3CN(C)C(=O)c3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2ccc3C(=O)N(Cc3c2OC)C2CC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc3C(=O)N(C)Cc3c2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc3OC(C)(C)C(=O)N(C)c3cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc3oc(=O)[nH]c3cc2Cl)ncc1Cl
CNc1nc(Nc2cc3CCN(C)C(=O)c3cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc3CCN(C)C(=O)c3cc2OC)ncc1C#N
CNc1nc(Nc2cc3cnn(C)c(=O)c3cc2OC)ncc1C(F)(F)F
CCN1Cc2c(ccc(Nc3ncc(c(NC)n3)C(F)(F)F)c2OC)C1=O
CNc1nc(Nc2ccc3C(=O)N(Cc3c2OC)C(C)(C)O)ncc1C(F)(F)F
CNc1nc(Nc2ccc3C(=O)N(Cc3c2OC)C2COC2)ncc1C(F)(F)F
CNc1nc(Nc2cc3CN(C)C(=O)c3cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cc3CN(CC(C)(C)O)C(=O)c3cc2OC)ncc1C(F)(F)F
CCNc1nc(Nc2cc3CN(CC(C)(C)O)C(=O)c3cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc3CN(C4COC4)C(=O)c3cc2OC)ncc1C(F)(F)F
CCNc1nc(Nc2cc3CN(C4COC4)C(=O)c3cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc3n(C)cc(C(=O)N(C)C)c3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCNCC4)c3cc2Cl)ncc1C(F)(F)F
CCNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCN(C)CC4)c3cc2Cl)ncc1C(F)(F)F
CCN1CCN(CC1)C(=O)c1cn(C)c2cc(Nc3ncc(c(NC)n3)C(F)(F)F)c(Cl)cc12
CNc1nc(Nc2cc3n(C)cc(C(=O)N4C[C@@H]5C[C@H]4CO5)c3cc2Cl)ncc1C(F)(F)F |r,TLB:13:15:21.20:18|
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(O)CC2)ncc1F
CNc1nc(Nc2ccc(cc2OC)C(=O)N(C)C)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC(F)F)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN3CCCCC3C2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(C)CC(C)C2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(F)(F)CC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)C(C)=O)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCC(C2)C(F)(F)F)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCC2C)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)S(C)(=O)=O)ncc1Cl
CCC1(CC)CN(CCO1)C(=O)c1ccc(Nc2ncc(Cl)c(NC)n2)c(OC)c1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2CO)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOC(CC(C)C)C2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCNCC2)ncc1Cl
CCOc1cc(ccc1Nc1ncc(Cl)c(NC)n1)C(=O)N1CCOCC1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(N)=O)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)NC(C)C)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2C3CCC2COC3)ncc1Cl
COc1cc(ccc1Nc1ncc(Cl)c(OC(C)C)n1)C(=O)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(OC)n1)C(=O)N1CCOCC1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CC2CO3)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CCC(C2)O3)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)NCCCN)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C1CC1
COc1cc(ccc1Nc1ncc(Cl)c(NCC(C)C)n1)C(=O)N1CCOCC1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)C(=O)C2CC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)C(C)(C)O)ncc1Br
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(C2)C(F)(F)F)ncc1Br
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)C#N)ncc1Br
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)C2CCC2)ncc1Br
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC(F)(F)F)CC2)ncc1Br
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)OC)ncc1Br
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC[C@@H](O)C2)ncc1Br |r|
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)C2COC2)ncc1Br
CNc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)ncc1Cl
COc1cc(ccc1Nc1ncc(Cl)c(NCC2CC2)n1)C(=O)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(NC2CCC2)n1)C(=O)N1CCOCC1
CNc1nc(Nc2ccc(cc2O)C(=O)N2CCOCC2)ncc1Cl
CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(Br)c(OC)n2)c(OC)c1
COc1nc(Nc2ccc(cc2OC2CCC2)C(=O)N2CCOCC2)ncc1Br
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1Cl
COc1cc(ccc1Nc1ncc(Br)c(OC)n1)C(=O)N1CC(C1)N1CCOCC1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(C2)N2CCOCC2)ncc1Cl
COc1cc(ccc1Nc1ncc(Cl)c(NC2(C)CCC2)n1)C(=O)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(NCC2CCOC2)n1)C(=O)N1CCOCC1
COc1cc(ccc1Nc1ncc(I)c(OC)n1)C(=O)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(NCCC2CC2)n1)C(=O)N1CCOCC1
COCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
COCCNc1nc(Nc2ccc(cc2OCC(F)(F)F)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2Cl)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1OC
COCCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N(C)C)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(N)=O)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NCCO)ncc1Cl
CNC(=O)c1cc(Cl)c(Nc2ncc(Cl)c(NC)n2)cc1OC
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(F)(F)CC2)ncc1Cl
CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CC2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NCCOC)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCNCC2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(CC2)N(C)C)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(O)C2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2COC2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CCN(C)CC2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCCC2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC(C)(C)C)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N(C)C)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(O)CC2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOC(CO)C2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N(C)CCO)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCCOCC2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(CC2)C#N)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CC(O)C2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2(CC2)C#N)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(C2)C#N)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2C[C@H](C)N[C@H](C)C2)ncc1Cl |r|
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CCN(C)CC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2COC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NCC(C)(C)O)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCNCC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(C2)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC(C2)C#N)ncc1C(F)(F)F
CNC(=O)c1cc(OC)c(Nc2ncc(c(NC)n2)C(F)(F)F)cc1F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N(C)CC(C)(C)O)ncc1C(F)(F)F
COc1cc(ccc1Nc1ncc(C2CC2)c(OC)n1)C(=O)N1CCOCC1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(C)=O
COCCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1Br
COCCNc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)ncc1Br
COCCOc1nc(Nc2ccc(cc2OC2CCC2)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC2CCCC2)C(=O)N2CC3(COC3)C2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3(COC3)C2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(F)(F)OC(F)(F)C2)ncc1C#N
CNc1nc(Nc2ccc(cc2C2CC2)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CC(F)(F)C2)ncc1C#N
CNc1nc(Nc2ccc(cc2OC)C(=O)NCC2CC2)ncc1C#N
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC[C@H](F)C2)ncc1C#N |r|
CNC(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1
CCN(CC)C(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1
CNc1nc(Nc2ccc(cc2OC)C(=O)NC(C)C)ncc1C#N
CCNC(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCCC2)ncc1C#N
CNc1nc(Nc2ccc(cc2OC)C(=O)NCC(F)F)ncc1C#N
CNc1nc(Nc2ccc(cc2OC)C(=O)NC(C)(C)C)ncc1C#N
CCN(C(C)C)C(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(F)(F)C2)ncc1C#N
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC2)ncc1C#N
CNc1nc(Nc2ccc(cc2OC)C(=O)N(C)C(C)C)ncc1C#N
COc1cc(ccc1Nc1ncc(Cl)c(NC2CCOC2)n1)C(=O)N1CCOCC1
CNc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)ncc1C(F)(F)F
CCOc1cc(ccc1Nc1ncc(c(NC)n1)C(F)(F)F)C(=O)N1CCOCC1
CNc1nc(Nc2ccc(cc2OC2CC2)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC2CC2)C(=O)N2CCOCC2)ncc1Br
COc1cc(ccc1Nc1ncc(Cl)c(NCCS(C)(=O)=O)n1)C(=O)N1CCOCC1
CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1Br
CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1Cl
CNc1nc(Nc2ccc(CC(=O)N3CCOCC3)cc2OC)ncc1Cl
CNc1nc(Nc2ccc(CC(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F
COc1cc(CC(=O)N2CCOCC2)ccc1Nc1ncc(Br)c(OC)n1
CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NCCCN)ncc1Cl
COCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
COC(C)CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2C)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2C)C(=O)N2CCC(O)CC2)ncc1Cl
CCNc1nc(Nc2ccc(cc2OC(F)(F)F)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC(F)(F)F)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2F)C(=O)N2CCOCC2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(OC)c(cc2F)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)C)ncc1C#N
CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F
CCNc1nc(Nc2ccc(C(=O)N3C[C@@H]4C[C@H]3CO4)c(F)c2OC)ncc1C(F)(F)F |r|
CNc1nc(Nc2ccc(cc2OC)C(=O)N2C[C@H](F)[C@@H](F)C2)ncc1C#N |r|
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(C2)OC)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC(C2)OC)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)CC(C)(C)O)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2C[C@H](C)O[C@H](C)C2)ncc1C(F)(F)F |r|
CCNc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)ncc1C(F)(F)F
COc1cc(ccc1Nc1ncc(Cl)c(n1)N1CCCCC1)C(=O)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(n1)N1CCCC1)C(=O)N1CCOCC1
CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F
CCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1Cl
COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(OC)n1)C(F)(F)F
COc1cc(Nc2ncc(Cl)c(OC)n2)c(Cl)cc1C(=O)N1CCOCC1
COc1nc(Nc2ccc(cc2Cl)C(=O)N2CCOCC2)ncc1Cl
COc1cc(C(=O)N2CCOCC2)c(Cl)cc1Nc1ncc(c(OC)n1)C(F)(F)F
COc1cc(ccc1Nc1ncc(c(OC)n1)C(F)(F)F)C(=O)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(OC2CCOCC2)n1)C(=O)N1CCOCC1
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2(CC2)C#N)ncc1C(F)(F)F
CNC(=O)c1cc(Cl)c(Nc2ncc(c(NC)n2)C(F)(F)F)cc1OC
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CC(C)OC(C)C2)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2ccc(cc2Br)C(=O)N2CCOCC2)nc1N1CCCC1
CNc1nc(Nc2ccc(cc2OC2CCC2)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(F)(F)C2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)NC2COC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CCC(C2)O3)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CC(C2)O3)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCC2)ncc1C(F)(F)F
CCN(CC)C(=O)c1ccc(Nc2ncc(c(NC)n2)C(F)(F)F)c(OC)c1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N(C)C)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(C)OC(C)C2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)C#N)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC(F)(F)F)CC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)OC)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)NCCOC)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCN(C)CC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCC(F)(F)CC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC2COC2)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OCC2CC2)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OCC2CCC2)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1Br
CNc1nc(Nc2ccc(cc2C2CC2)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2Br)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(Cl)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(Cl)c(cc2OC)C(=O)N2CCOCC2)ncc1Cl
COc1cc(C(=O)N2CCOCC2)c(Cl)cc1Nc1ncc(Br)c(OC)n1
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OCCF)C(=O)N2CCOCC2)ncc1C(F)(F)F
COc1cc(ccc1Nc1ncc(Cl)c(OC)n1)C(=O)N1CCCC1
CCOc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(NC)n1)C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
CCNc1nc(Nc2ccc(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC[C@H]2COC)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC[C@H]2COC)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(CC)CCOC)ncc1C(F)(F)F
CCN(CCOC)C(=O)c1cc(OC)c(Nc2ncc(c(NC)n2)C(F)(F)F)cc1F
CCNc1nc(Nc2cc(F)c(cc2OCC)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C#N
COc1cc(ccc1Nc1ncc(C#N)c(OC)n1)C(=O)N1CCOCC1
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C#N
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C#N
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2C[C@H](C)O[C@H](C)C2)ncc1C#N |r|
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2C[C@H](C)O[C@H](C)C2)ncc1C#N |r|
CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)C)ncc1C#N
CNc1nc(Nc2ccc(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)S(C)(=O)=O)ncc1Cl
CNc1nc(Nc2cc(F)c(cc2OC)C#N)ncc1C(F)(F)F
CNc1nc(Nc2c(OC)cc(cc2C(F)(F)F)C#N)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C#N)ncc1Cl
COc1nc(Nc2ccc(cc2Cl)S(C)(=O)=O)ncc1Cl
CNc1nc(Nc2ccc(cc2Cl)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2Cl)S(C)(=O)=O)ncc1Cl
CNc1nc(Nc2ccc(CN3CCOCC3)cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2cc(C)c(cc2Cl)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OC)ncc1C#N
CCNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OC)ncc1C#N
CNc1nc(Nc2cc(C)c(cc2OC)C#N)ncc1C(F)(F)F
CNc1nc(Nc2ccc(CN3CCOCC3)cc2OCCF)ncc1Cl
CNc1nc(Nc2cc(F)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC(C)C)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OCCF)S(C)(=O)=O)ncc1Cl
COc1nc(Nc2ccc(cc2OCCF)S(C)(=O)=O)ncc1Cl
CNc1nc(Nc2ccc(cc2OCCF)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2cc(Cl)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OCCF)ncc1C(F)(F)F
CCNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OCCF)ncc1C(F)(F)F
CNc1nc(Nc2cc(C)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)C(O)=O)ncc1Cl
CNc1nc(Nc2ccc(cc2OC)S(=O)(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(F)(F)F)ncc1C(F)(F)F
CNc1nc(Nc2ccc(cc2OC)C(F)(F)F)ncc1Cl
CNc1nc(Nc2cc(Cl)c(cc2OC)C(O)=O)ncc1Cl
CNc1nc(Nc2cc(F)c(cc2OC)N2CCCC2=O)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)N2CCOCC2=O)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)N2CCCCC2=O)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c(cc2OC)C2COC2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(C)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
CCS(=O)(=O)c1cc(OC)c(Nc2ncc(c(NC)n2)C(F)(F)F)cc1C
CNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OC)ncc1C(F)(F)F
CCNc1nc(Nc2ccc(c3OCCOc23)S(C)(=O)=O)ncc1C(F)(F)F
Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1[nH]c2ncnc(N3CCOCC3)c2c1-c1cccc(c1)C#N
N#Cc1cccc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
CN(C)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
C1CN(CCO1)c1ncnc2[nH]cc(-c3cn[nH]c3)c12
Cc1nc(N2CCOCC2)c2c(c[nH]c2n1)-c1cccc(c1)C#N
CN(C)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
CC1(C)CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
NC(=O)C1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
O[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
C1CCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
OCC1CCN(CC1)c1ncnc2[nH]cc(-c3ccccc3)c12
OCc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)[N+]#[C-])c12
[C-]#[N+]C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
C[C@H]1C[C@@H](C)CN(C1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
COc1ccc(cc1-c1c[nH]c2ncnc(N3CCCC(C)C3)c12)[N+]#[C-]
COc1ccc(cc1-c1c[nH]c2ncnc(N(C)C)c12)[N+]#[C-]
COc1ccc(Cl)cc1-c1c[nH]c2ncnc(N(C)C)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC(CC3)c3ncc[nH]3)c12
COCC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CN1CCC2(CC1)CN(CCO2)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
COC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
COCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CN(C)C(=O)CCNc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
FC1(F)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
FC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC(CC3)c3cc[nH]n3)c12
F[C@H]1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3cc[nH]n3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)c3cc[nH]n3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)c3ncc[nH]3)c12
CN1CCCC(C1)Nc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
O=C1CC2(CN1)CCCN(C2)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(NCCN3CCOCC3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC4(CCOC4)C3)c12
CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4[nH]ncc4c3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)S(N)(=O)=O)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3F)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc4[nH]ncc34)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc(F)c(C)c3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4C(=O)NCc4c3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccnc3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cncc(C)c3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc4[nH]ccc4c3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4CNC(=O)c4c3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc4cc[nH]c4c3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc(O)cc3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc(cc3)C(N)=O)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(O)c3)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cc(C)cnc3Cl)c12 |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C(N)=O)c12 |r|
FC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C(O)=O)c12 |r|
CNc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
COc1ccc(cc1-c1c[nH]c2ncnc(N3C[C@@H](C)C[C@@H](C)C3)c12)C#N |r|
COc1ccc(cc1-c1c[nH]c2ncnc(N3CCC[C@H](C)C3)c12)C#N |r|
C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12 |r|
CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12
CN(C)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
CC1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CN(C)c1ncnc2[nH]cc(-c3cc(ccc3F)[N+]#[C-])c12
CCN(CC)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CN(C)c1ncnc2[nH]cc(-c3cc(F)cc(c3)C#N)c12
Fc1c(cccc1-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
Fc1ccc(cc1-c1c[nH]c2ncnc(N3CCOCC3)c12)[N+]#[C-]
Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
N#Cc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Fc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Fc1ccc(F)c(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Fc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F
Fc1ccc(Cl)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
OCc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F
Fc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c(F)c1
Fc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Fc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12
COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Clc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
OCc1cc(ccc1F)-c1c[nH]c2ncnc(N3CCOCC3)c12
Fc1ccc(cc1)-c1c[nH]c2ncnc(N3CCOCC3)c12
OCc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
COc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
CSc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
C1CN(CCO1)c1ncnc2[nH]cc(-c3cccnc3)c12
C1CN(CCO1)c1ncnc2[nH]cc(-c3cncc4ccccc34)c12
Brc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1ccc(Cl)c(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Cn1ccc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
OC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Cc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
Cc1nc(no1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4CC(C3)O4)c12
Clc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
COc1ccc(cc1-c1c[nH]c2ncnc(N3CCOCC3)c12)[N+]#[C-]
COc1ccc(Cl)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1[nH]c2ncnc(N3CCOCC3)c2c1-c1cnn(C)c1
COc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCSCC3)c12
Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCCC(F)C3)c12
Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCOC(CO)C3)c12
Cc1ccc(OCC2CN(CCO2)c2ncnc3[nH]cc(-c4cnn(C)c4)c23)cn1
CN(C)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
CN(C1CC1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
FC1(F)CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
NC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
FC(F)c1nc(CC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)no1
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3nccs3)c12
O=C1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
OCC1(F)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Oc1cccc(c1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3noc(n3)C3CC3)c12
FC1(F)CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(OCC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)c1
OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
NC(=O)C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3ccncn3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3nc(no3)C3CC3)c12
CN(C)CC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(Nc3cn[nH]c3)c12
Cc1nc(CC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)no1
Cc1nnc(o1)C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
COc1cc(cc(c1)-c1c[nH]c2ncnc(N(C)C)c12)C#N
CCn1cc(cn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Clc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
COc1cncc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1nn(C)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
C[C@H]1COCCN1c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
Cc1nc(N2CCOCC2)c2c(c[nH]c2n1)-c1cccc(C#N)c1F
O[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(F)c3)c12
COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C3)c3noc(C)n3)c12
FC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
COc1ccccc1-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
COc1ccccc1-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
COCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC3)c12
C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cncc(C)c3)c12 |r|
COc1ccccc1-c1c[nH]c2ncnc(N(C)C)c12
COc1ccccc1-c1c[nH]c2ncnc(N3CC[C@H](F)C3)c12 |r|
COc1ccccc1-c1c[nH]c2ncnc(N3CCCC3)c12
COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N(C)C)c12
OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCO[C@@H](C)C3)c12 |r|
C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12 |r|
COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCCC(F)C3)c12
C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(F)c3)c12 |r|
COc1ccc(F)cc1-c1c[nH]c2ncnc(N(C)C)c12
Fc1c(cccc1-c1c[nH]c2ncnc(N3CCCC3)c12)C#N
COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CC[C@H](F)C3)c12 |r|
Cc1nc(no1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
Cc1ccnc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
COc1cccc(F)c1-c1c[nH]c2ncnc(N(C)C)c12 |(4.3,-1.64,;2.81,-1.24,;2.41,.25,;3.5,1.34,;3.1,2.83,;1.61,3.23,;.53,2.14,;-.96,2.54,;.92,.65,;-.17,-.44,;.74,-1.69,;-.17,-2.93,;-1.63,-2.46,;-2.96,-3.23,;-4.3,-2.46,;-4.3,-.92,;-2.96,-.15,;-2.96,1.39,;-1.63,2.16,;-4.3,2.16,;-1.63,-.92,)|
COc1cccc(F)c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(4.3,-2.26,;2.81,-1.86,;2.41,-.37,;3.5,.72,;3.1,2.2,;1.61,2.6,;.53,1.51,;-.96,1.91,;.92,.02,;-.17,-1.06,;.74,-2.31,;-.17,-3.56,;-1.63,-3.08,;-2.96,-3.85,;-4.3,-3.08,;-4.3,-1.54,;-2.96,-.77,;-2.96,.77,;-4.3,1.54,;-4.3,3.08,;-2.96,3.85,;-1.63,3.08,;-1.63,1.54,;-1.63,-1.54,)|
Cc1cc(sn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
COc1ccc(F)c(Cl)c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(4.3,-2.38,;2.81,-1.98,;2.41,-.49,;3.5,.6,;3.1,2.08,;1.61,2.48,;1.22,3.97,;.53,1.39,;-.74,1.73,;.92,-.09,;-.17,-1.18,;.74,-2.43,;-.17,-3.68,;-1.63,-3.2,;-2.96,-3.97,;-4.3,-3.2,;-4.3,-1.66,;-2.96,-.89,;-2.96,.65,;-4.3,1.42,;-4.3,2.96,;-2.96,3.73,;-1.63,2.96,;-1.63,1.42,;-1.63,-1.66,)|
FC(F)c1[nH]c2ncnc(N3CCOCC3)c2c1-c1cccc(c1)C#N
C1CC=C(CO1)c1c[nH]c2ncnc(N3CCOCC3)c12 |c:2|
C1COC=C(C1)c1c[nH]c2ncnc(N3CCOCC3)c12 |c:3|
C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)-c3ncon3)c12
Cc1cc(on1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Cc1c(cccc1-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
O=c1cc(cc[nH]1)-c1c[nH]c2ncnc(N3CCOCC3)c12
C1CN(CCO1)c1ncnc2[nH]cc(-c3cnc4sccn34)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3C[C@@H]4CCO[C@@H]4C3)c12 |r|
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3C[C@@H]4COC[C@@H]4C3)c12 |r|
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCO[C@H]4CCC[C@@H]34)c12 |r|
[C-]#[N+]C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CC1(C)CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1ccc(s1)-c1c[nH]c2ncnc(N3CCOCC3)c12
C1CN(CCO1)c1ncnc2[nH]cc(-c3cnc4cccnn34)c12
NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
C1CN(CCO1)c1ncnc2[nH]cc(-c3cnn4cccnc34)c12
Cn1cc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1nc2sccn2c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(-1.37,2.52,;-.04,1.75,;1.21,2.66,;2.45,1.75,;3.99,1.75,;4.47,.29,;3.22,-.62,;1.98,.29,;.44,.29,;-.33,-1.05,;.57,-2.29,;-.33,-3.54,;-1.8,-3.06,;-3.13,-3.83,;-4.47,-3.06,;-4.47,-1.52,;-3.13,-.75,;-3.13,.79,;-1.8,1.56,;-1.8,3.1,;-3.13,3.87,;-4.47,3.1,;-4.47,1.56,;-1.8,-1.52,)|
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3ccno3)c12
Cn1cc(nc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
Cc1c(Nc2ncc(C#N)c(NC3CC3)n2)cnn1C1CCOCC1
CCNc1nc(Nc2cnn(C3CCOCC3)c2Cl)ncc1C#N
CNc1nc(Nc2cn(nc2C)C(C)(C)CO)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CC3(O)CC3)c2Cl)ncc1C(F)(F)F
CCn1cnnc1C(C)(C)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(Cl)n1
CNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(CC)n2)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2(C)COC2)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(C)(C)c2nc(C)cn2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncc(C)n2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncc(C)o2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C2(C)COC2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
CNc1nc(Nc2cnn(c2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(c2Cl)C(C)(C)c2nncn2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CC(C)c3ccn(C)n3)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncccn2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2nnc(C)o2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C(C)(C)c2nnc(CC)o2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(n2)C(C)C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2nncn2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CCc3ccn(C)n3)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccnn2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(CCc3ccn(C)n3)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2CCOC[C@H]2F)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(C3CCOC[C@H]3F)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(C3CCOC[C@@H]3F)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)C(C)(C)CC#N)ncc1C(F)(F)F
CCC(Cn1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1)C#N
CCNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
Cc1nn(cc1Nc1ncc(C#N)c(NC2CC2)n1)C(C)(C)C#N
CCNc1nc(Nc2cc(nn2C)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CCCCc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CCN(C)[C@@H](C)c23)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn3CCN(C)[C@H](C)c23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn3CCN(C)[C@@H](C)c23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn3CCN(C)[C@H](C)c23)ncc1C(F)(F)F |r|
C[C@@H]1N(C)CCn2ncc(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)c12 |r|
C[C@H]1N(C)CCn2ncc(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)c12 |r|
CNc1nc(Nc2cnn3c2C(C)OCC3(C)C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn3CCOC(C)c23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CCOC(C)c23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CCOCc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CC(C)OC(C)c23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
CCNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CCCc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CCN(C)c23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CCN(C)Cc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CCOC4(COC4)c23)ncc1C(F)(F)F
CNc1nc(Nc2cc3COCCn3n2)ncc1C(F)(F)F
COc1cc2ncnc(Nc3cccc(NS(=O)(=O)C=C)c3)c2cc1OC
COc1cc2ncnc(Nc3cccc(NS(C)(=O)=O)c3)c2cc1OC
CCCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
COc1cc2ncnc(Nc3cccc(NS(=O)(=O)CC(C)C)c3)c2cc1OC
COc1cc2ncnc(Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c2cc1OC
COc1cc2ncnc(Nc3cccc(NS(=O)(=O)c4cccs4)c3)c2cc1OC
COc1cc2ncnc(Nc3cccc(NS(=O)(=O)CC(F)(F)F)c3)c2cc1OC
CCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
N#Cc1c[nH]c2nccc(-c3ccsc3)c12
N#Cc1c[nH]c2nccc(-c3ccc(CN4CCOCC4)cc3)c12
N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
Cc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
CN(C)Cc1ccc(cc1C)-c1ccnc2[nH]cc(C#N)c12
CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
COc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1
Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Cn1cc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)cn1
N#Cc1c[nH]c2nc(Nc3ccccn3)cc(-c3ccccc3)c12
Cc1cncc(c1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
Cc1ccnc(c1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
Cc1cn(C)nc1Nc1cc(-c2cccc(C)n2)c2c(c[nH]c2n1)C#N
Cc1cccc(n1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Cc1cn(C)nc1Nc1cc(-c2ccnc(C)c2)c2c(c[nH]c2n1)C#N
COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
CN1CCC(CC1)Nc1ncncc1-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(F)cc4)C3)cc12
Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(F)c(F)c4)C3)cc12
Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(Cl)cc4)C3)cc12
Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(Cl)c(Cl)c4)C3)cc12
CN1CCN(CCOc2cncc(n2)-c2cnc3[nH]nc(C)c3c2)CC1
CN1CCC(CC1)C(=O)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(cc12)-c1cncc(Cl)n1
Cc1n[nH]c2ncc(cc12)-c1cnccn1
Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCCC1=O
CN1CCC(C1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCC(F)(F)C1
Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCN(CCO)CC1
Cc1n[nH]c2ncc(cc12)-c1cncc(n1)C(=O)N1CCNCC1
CN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]nc(C)c2c1
CN(C)CCNc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(cc12)-c1nccnc1N1CCCC1
Cc1n[nH]c2ncc(cc12)-c1cncc(n1)C(=O)N1CCCCC1
Cc1n[nH]c2ncc(cc12)-c1cncc(NC2CCN(CCO)CC2)n1
Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCNC(=O)C1
CC(C)N1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCc2ccccc12
Cc1n[nH]c2ncc(cc12)-c1cncc(Nc2cccc(c2)N2CCCC2=O)n1
CN1CCC(CC1)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
CN1CCC(CC1)Nc1cccc(n1)-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
CN(C)S(=O)(=O)c1cccc(c1)-c1cnc2[nH]nc(C)c2c1
CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
Cn1cc(cn1)-c1cnc2[nH]ncc2c1
CCOC(=O)c1cccc(c1)-c1cnc2[nH]nc(C)c2c1
CN1CCN(Cc2cccc(c2)-c2cnc3[nH]nc(C)c3c2)CC1
CN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
OCCN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
CN(C)CCNc1cncc(n1)-c1cnc2[nH]ccc2c1
C1CCN(C1)c1nccnc1-c1cnc2[nH]ccc2c1
CN1CC(C1)Nc1cncc(n1)-c1cnc2[nH]ccc2c1
O=C1CCCN1c1cncc(n1)-c1cnc2[nH]ccc2c1
O=C1CN(CCN1)c1cncc(n1)-c1cnc2[nH]ccc2c1
C1Cc2ccccc2N1c1cncc(n1)-c1cnc2[nH]ccc2c1
FC1(F)CCN(C1)c1cncc(n1)-c1cnc2[nH]ccc2c1
OC1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
O=C(N1CCCCC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
CN1CCN(CC1)C(=O)c1cncc(n1)-c1cnc2[nH]ccc2c1
CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]ccc2c1
CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]cc(Cl)c2c1
CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]cc(F)c2c1
CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]cc(Cl)c2c1
CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]cc(F)c2c1
C1CN(CCO1)c1cncc(n1)-c1cnc2[nH]ccc2c1
Clc1c[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
Fc1c[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
CN1CCN(Cc2cccc(c2)-c2cnc3[nH]ccc3c2)CC1
Cc1n[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Cc1n[nH]c2ncc(cc12)-c1cccc(CC#N)c1
CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(Nc3cccc(CN4CCN(CCO)CC4)c3)cc12
CN1CCN(Cc2ccc(Nc3cnc4[nH]nc(C)c4c3)cc2)CC1
CN1CCN(CC1)c1ccc(Nc2cnc3[nH]nc(C)c3c2)cc1F
Cc1n[nH]c2ncc(Nc3cncc(Cl)n3)cc12
COc1ccccc1-c1n[nH]c2ncc(cc12)-c1ccsc1
COc1ccccc1-c1n[nH]c2ncc(cc12)-c1ccoc1
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N)c(nnc2c1)C(N)=O
NC(=O)c1nnc2cc(ccc2c1N)-c1cccc(c1)N1CCOCC1
CN(C)c1ccc(cc1)-c1ccc2c(N)c(nnc2c1)C(N)=O
CN(C)c1cccc(c1)-c1ccc2c(N)c(nnc2c1)C(N)=O
NC(=O)c1nnc2cc(ccc2c1N)-c1ccc(cc1)N1CCOCC1
CC(C)(C)c1ccc2nnc(C(N)=O)c(N)c2c1
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O
CN1CCC(CC1)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOC3)c(nnc2c1)C(N)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOCC3)c(nnc2c1)C(N)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3COC3)c(nnc2c1)C(N)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CC3)c(nnc2c1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1cncnc1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O
CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O |r|
CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)c1ccccc1 |r|
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1 |r|
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N)C1CC1
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(F)cc1)C(N)=O
CCNc1c(nnc2cc(ccc12)-c1cccc(F)c1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1ccccc1F)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOCC1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1cccc(c1)N1CCOCC1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1cn[nH]c1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1cccnc1)C(N)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC34CC5CC(CC(C5)C3)C4)c(nnc2c1)C(N)=O |TLB:23:18:25:22.24.21,23:22:25:19.18.17,17:18:16.25.24:21,THB:17:16:19.18.23:21,15:16:19.18.23:21|
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NCC3CCOCC3)c(nnc2c1)C(N)=O
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CCOCC1
CC(C)(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NCC3CC3)c(nnc2c1)C(N)=O
CCNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CC(C)Nc1c(nnc2cc(C=C)ccc12)C(N)=O
COc1ccccc1-c1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
COc1cccc(c1)-c1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
COc1ccc(F)cc1-c1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)C(C)=C)C(N)=O
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)C1CC1 |r|
C[C@@H](Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O)C1CC1
CN(C)C(=O)c1cccc(c1)-c1ccc2cc(nnc2c1)C(N)=O
COc1ccccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O
COCc1ccccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O
C[C@@H](Nc1c(nnc2cc(ccc12)-c1cncc2ccccc12)C(N)=O)C1CC1
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc2NC(=O)Cc2c1)C(N)=O)C1CC1
COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)C(=O)N(C)C
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1OC(F)(F)F)C(N)=O)C1CC1
COc1ccc(Br)cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1)C(N)=O)C1CC1
C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc(c1)S(C)(=O)=O)C(N)=O)C1CC1
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(=O)n(C)c1)C(N)=O)C1CC1
NC(=O)c1cc2ccc(cc2nn1)-c1cccc(OCC2CC2)c1
CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(nnc2c1)C(N)=O
COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)S(C)(=O)=O
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOCC1=O)C(N)=O)C1CC1
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1Cl)C(N)=O)C1CC1
COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)C(=O)N(C)C
C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc2NC(=O)Cc12)C(N)=O)C1CC1
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc2CC(=O)Nc2c1)C(N)=O)C1CC1
C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc2CC(=O)Nc12)C(N)=O)C1CC1
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccn(C)c(=O)c1)C(N)=O)C1CC1
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1S(C)(=O)=O)C(N)=O)C1CC1
CC(C)Nc1c(nnc2ccc(cc12)-c1ccccc1)C(N)=O
CC(C)Nc1c(nnc2ccc(cc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CC(C)Nc1c(nnc2ccc(cc12)-c1ccncc1)C(N)=O
CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O
CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C#N
CC(C)Nc1c(nnc2ccc(cc12)-c1cnn(C)c1)C(N)=O
CC(C)Nc1c(nnc2ccc(cc12)-c1nccs1)C(N)=O
CC(C)Nc1c(nnc2ccc(cc12)-c1cncs1)C(N)=O
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)c1ccccc1
C[C@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)c1ccccc1
CCC(CC)Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O
CC(Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)c1cccnc1
NC(=O)c1nnc2cc(ccc2c1NCCCO)-c1ccncc1
NC(=O)c1nnc2cc(ccc2c1NCCO)-c1ccncc1
COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ccc(Br)cc1OC
CCC(C)Sc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CC(C)Nc1c(I)nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1cscn1
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1ncco1
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1cccnc1
CC(C)Nc1c(Cl)nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1nccc(=O)[nH]1
CC(C)Nc1c(nnc2cc(Oc3ccccc3)ccc12)C(N)=O
CC(C)Nc1c(nnc2cc(Sc3ccccc3)ccc12)C(N)=O
CC(C)Nc1c(nnc2cc(Nc3ccccc3)ccc12)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-n1cccn1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)N1CCCC1=O)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)N1CCN(C)CC1)C(N)=O
COc1ccccc1Nc1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
COc1ncccc1Nc1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
CC(C)Nc1c(nnc2ccc(cc12)N1CCOCC1)C(N)=O
COc1cccc(Nc2ccc3c(NC(C)C)c(nnc3c2)C(N)=O)c1
CC(C)Nc1c(nnc2cc(ccc12)-c1c[nH]nn1)C(N)=O
CC(C)Nc1c(C)nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)Nc1c(nnc2cc(CCO)ccc12)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1nc[nH]n1
COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)N1CCOC1=O
COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-n1cccn1
COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ccc(cc1OC)N1CCOC1=O
COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)N1CCOCC1=O
COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ccc(cc1OC)N1CCOCC1=O
C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOC1=O)C(N)=O)C1CC1
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#C
COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ncccc1F
COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1nccnc1OC
COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1nccn1C
CNC(=O)c1nnc2cc(ccc2c1NC(C)C)-c1ccc(cc1)S(C)(=O)=O
CNC(=O)c1nnc2cc(ccc2c1NC)-c1ccc(cc1)S(C)(=O)=O
CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)-c1ccc(cc1)S(C)(=O)=O |r|
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1ncc[nH]1
CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)C(C)=C
CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)C1CC1
CC(C)Oc1cc(F)c2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
Fc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCOCC1)-c1cnccn1
Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCOCC1)-c1cnn(C)c1
Cn1cc(cn1)-c1cc(Cl)c2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
Cn1cc(cn1)-c1cc(F)c2[nH]nc(-c3ccnc(c3)N3CC(F)C3)c2c1
Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCN(CC1)S(C)(=O)=O)-c1cnn(C)c1
Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CC[C@@H](F)C1)-c1cnn(C)c1 |r|
C1C[C@H]2COc3cccc(c3)-c3cnn4ccc(NCCN2C1)nc34 |r|
Fc1ccc2NC[C@@H]3CCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2NCCN3CCC(CC3)Nc3ccn4ncc(-c1c2)c4n3 |(4.89,1.33,;3.8,.24,;4.2,-1.25,;3.11,-2.34,;1.62,-1.94,;.53,-3.03,;-1.35,-4.91,;-3.55,-4.33,;-3.55,-2.79,;-4.89,-2.02,;-4.89,-.48,;-3.55,.29,;-2.22,-.48,;-2.22,-2.02,;-3.55,1.83,;-2.22,2.6,;-2.22,4.14,;-.89,4.91,;.45,4.14,;1.91,4.61,;2.82,3.37,;1.91,2.12,;2.31,.64,;1.22,-.45,;.45,2.6,;-.89,1.83,)|
Fc1ccc2NC3CCN(CC3)CCNc3ccn4ncc(-c1c2)c4n3 |(4.62,1.74,;3.85,.41,;4.62,-.93,;3.85,-2.26,;2.31,-2.26,;1.44,-3.76,;-.86,-3.76,;-2.2,-4.53,;-3.53,-3.76,;-3.53,-2.22,;-2.2,-1.45,;-.86,-2.22,;-4.62,-1.13,;-3.53,-.04,;-3.93,1.45,;-2.59,2.22,;-2.59,3.76,;-1.26,4.53,;.07,3.76,;1.54,4.23,;2.44,2.99,;1.54,1.74,;2.31,.41,;1.54,-.93,;.07,2.22,;-1.26,1.45,)|
Fc1ccc2NCCN3CCCC3CCNc3ccn4ncc(-c1c2)c4n3
Fc1ccc2NCCCN3CCC(C3)Nc3ccn4ncc(-c1c2)c4n3
Fc1ccc2NC3CCN(CC3)CCOc3ccn4ncc(-c1c2)c4n3 |(4.89,1.01,;3.8,-.08,;4.2,-1.57,;3.11,-2.65,;1.62,-2.26,;.53,-3.35,;-1.82,-3.82,;-3.15,-4.59,;-4.49,-3.82,;-4.49,-2.28,;-3.15,-1.51,;-1.82,-2.28,;-4.89,-.8,;-3.55,-.03,;-3.55,1.51,;-2.22,2.28,;-2.22,3.82,;-.89,4.59,;.45,3.82,;1.91,4.3,;2.82,3.05,;1.91,1.81,;2.31,.32,;1.22,-.77,;.45,2.28,;-.89,1.51,)|
Fc1ccc2OC[C@@H]3CCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2NCCN3CCC(CC3)Oc3ccn4ncc(-c1c2)c4n3
Cc1cc(F)c-2cc1NC[C@@H]1CCCN1CCNc1ccn3ncc-2c3n1 |r|
CN1CCN2CCC[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
F[C@@H]1C[C@H]2COc3ccc(F)c(c3)-c3cnn4ccc(NCCN2C1)nc34 |r|
Fc1ccc2NC[C@@H]3CCCN3CCCOc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2OC[C@@H]3CCCN3CCCNc3ccn4ncc(-c1c2)c4n3 |r|
CN1C2CCN(CC2)CCOc2ccc(F)c(c2)-c2cnn3ccc1nc23
CN1CCN2CCC[C@H]2CNc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
Fc1ccc2OC[C@@H]3CCCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2O[C@@H]3CCCCN(C3)CCNc3ccn4ncc(-c1c2)c4n3 |r|
CN1CCN2CCCC[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
Fc1ccc2OC[C@@H]3CNCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2NC[C@@H]3CCCN3CCOc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2OC[C@@H]3COCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
CN1CCN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2C1)ccc5F)c4n3 |r|
CN1CCN2CCN(C)c3ccn4ncc(-c5cc(OC[C@@H]2C1)ccc5F)c4n3 |r|
CN1CCN2CCOC[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
Fc1cc(Cl)c2OC[C@@H]3CCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2OC[C@@H]3CN4CCC[C@@H]4CN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2O[C@@H]3CNCCN(C3)CCNc3ccn4ncc(-c1c2)c4n3 |r|
CN1CCN2C[C@H]3CCCN3C[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
Fc1ccc2OC[C@H]3CN4CCC[C@@H]4CN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
CN1CCN2C[C@@H]3CCCN3C[C@@H](C2)Oc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
CC(=O)N1CCN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2C1)ccc5F)c4n3 |r|
Fc1ccc2OC3CCN(CC3)CCNc3ccn4ncc(-c1c2)c4n3 |(5.09,1.17,;4,.08,;4.4,-1.41,;3.31,-2.5,;1.82,-2.1,;.73,-3.19,;-2.51,-4.35,;-4,-4.75,;-5.09,-3.66,;-4.69,-2.18,;-3.2,-1.78,;-2.11,-2.87,;-4.69,-.64,;-3.35,.13,;-3.35,1.67,;-2.02,2.44,;-2.02,3.98,;-.69,4.75,;.65,3.98,;2.11,4.46,;3.02,3.21,;2.11,1.97,;2.51,.48,;1.42,-.61,;.65,2.44,;-.69,1.67,)|
CN1CCN2CCC(CC2)Oc2ccc(F)c(c2)-c2cnn3ccc1nc23 |(-4.69,2.44,;-3.35,1.67,;-3.35,.13,;-4.69,-.64,;-4.69,-2.18,;-5.09,-3.66,;-4,-4.75,;-2.51,-4.35,;-2.11,-2.87,;-3.2,-1.78,;.73,-3.19,;1.82,-2.1,;3.31,-2.5,;4.4,-1.41,;4,.08,;5.09,1.17,;2.51,.48,;1.42,-.61,;2.11,1.97,;3.02,3.21,;2.11,4.46,;.65,3.98,;-.69,4.75,;-2.02,3.98,;-2.02,2.44,;-.69,1.67,;.65,2.44,)|
Fc1ccc2OC[C@H]3CNCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
CN1CCN2CCNc3ccn4ncc(-c5cc(OC[C@H]2C1)ccc5F)c4n3 |r|
Fc1ccc2OC[C@@H]3CCCN3CCCc3ccn4ncc(-c1c2)c4n3 |r|
Fc1ccc2OC[C@@H]3CN4CCC[C@H]4CN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
F[C@H]1C[C@H]2COc3ccc(F)c(c3)-c3cnn4ccc(NCCN2C1)nc34 |r|
C[C@H]1C[C@@H]2CCN1CCNc1ccn3ncc(-c4cc(O2)ccc4F)c3n1 |r|
Fc1ccc2OC[C@@H]3C=CCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r,c:8|
CN1CCN2C[C@@H]3CCCN3C[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
Fc1ccc2O[C@@H]3CN4CCC[C@H]4CN(C3)CCNc3ccn4ncc(-c1c2)c4n3 |r|
CN1CCN2C[C@@H]3CCCN3C[C@H](C2)Oc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
C[C@@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1)ccc5F)c4n3 |r|
C[C@@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1C)ccc5F)c4n3 |r|
C[C@@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1C1CC1)ccc5F)c4n3 |r|
CCCN1C[C@H]2COc3ccc(F)c(c3)-c3cnn4ccc(NCCN2C[C@H]1C)nc34 |r|
C[C@@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1CC1CC1)ccc5F)c4n3 |r|
CCN1C[C@H]2COc3ccc(F)c(c3)-c3cnn4ccc(NCCN2C[C@H]1C)nc34 |r|
CC(C)[C@H]1CN2C[C@@H](CN1)Oc1ccc(F)c(c1)-c1cnn3ccc(NCC2)nc13 |r|
Fc1ccc2OC[C@@H]3CCCN3CCNc3ccc4ncc(-c1c2)n4n3 |r|
C[C@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1)ccc5F)c4n3 |r|
C[C@H]1CN2C[C@@H](CN1)Oc1ccc(F)c(c1)-c1cnn3ccc(NCC2)nc13 |r|
CC1(C)CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1)ccc5F)c4n3 |r|
CC(C)[C@H]1CN2CCN(C)c3ccn4ncc(-c5cc(OC[C@@H]2CN1)ccc5F)c4n3 |r|
Fc1ccc2OCCN3CCC[C@@H](C3)Nc3ccn4ncc(-c1c2)c4n3 |r|
CC1(C)CN2C[C@@H](CN1)Oc1ccc(F)c(c1)-c1cnn3ccc(NCC2)nc13 |r|
Fc1ccc2O[C@@H]3CCCCN(C3)CCNc3ccc4ncc(-c1c2)n4n3 |r|
Fc1ccc2OCCN3CC[C@H](C3)Nc3ccn4ncc(-c1c2)c4n3 |r|
CN1[C@@H]2CCN(C2)CCOc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
CC1(C)CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1C1CC1)ccc5F)c4n3 |r|
CC1(C)CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1CC=C)ccc5F)c4n3 |r|
CNc1nc(Nc2cnn(C3CC4CCC(C3)N4C)c2C)ncc1C(F)(F)F |TLB:18:17:13.14:11.16.10,THB:9:10:17:13.14|
CNc1nc(Nc2cn(nc2C)C2CC3CCC(C2)N3C)ncc1C(F)(F)F |TLB:20:19:15.16:13.18.12,THB:8:12:19:15.16|
CNc1nc(Nc2cn(nc2C)C2C[C@@H]3C[C@@H]3C2)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(C3C[C@@H]4C[C@@H]4C3)c2C)ncc1C(F)(F)F |r|
Cc1nn(cc1Nc1ncc(c(NC2C3CC2C3)n1)C(F)(F)F)C(C)(C)C#N |(-4.47,-1.87,;-2.93,-1.87,;-2.02,-3.12,;-.56,-2.64,;-.56,-1.1,;-2.02,-.63,;-2.42,.86,;-1.33,1.95,;-1.73,3.44,;-.64,4.53,;.85,4.13,;1.25,2.64,;2.73,2.24,;3.13,.76,;2.36,-.58,;3.7,-1.35,;4.47,-.01,;3.58,-.9,;.16,1.55,;1.94,5.22,;3.42,4.82,;1.54,6.71,;3.03,6.31,;.53,-3.73,;2.02,-4.13,;1.62,-2.64,;.13,-5.22,;-.26,-6.71,)|
CNc1nc(Nc2cn(CC34CC(C3)(C4)C#N)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CC34CC(C3)(C4)C#N)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CC4(CC4)Cc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C3C[C@H]4[C@@H](C3)C4(F)F)c2Cl)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2Cl)C2C[C@H]3[C@@H](C2)C3(F)F)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(C3C[C@H]4[C@@H](C3)C4(F)F)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)C2C[C@H]3[C@@H](C2)C3(F)F)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(C3CC4(COC4)C3)c2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CC4(COC4)Cc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3CC4(CC4)COc23)ncc1C(F)(F)F
Cc1nn(cc1Nc1nc2NCC3(CC3)c2c(n1)C1CC1)C(C)(C)C#N
CCNc1nc(Nc2cnn3CC4(COC4)Cc23)ncc1C(F)(F)F
Cc1c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cnn1C1C[C@@H](C1)C#N |r,wU:23.28,(-3.98,.54,;-2.5,.14,;-1.25,1.05,;-1.25,2.59,;.08,3.36,;.08,4.9,;1.42,5.67,;2.75,4.9,;2.75,3.36,;4.09,2.59,;4.09,1.05,;3.32,-.29,;4.86,-.29,;1.42,2.59,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,)|
CCNc1nc(Nc2cn(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C2CCN(C)C2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(C3C[C@@H](C3)C#N)c2C)ncc1C(F)(F)F |r,wU:13.15,(5.42,.28,;4.09,1.05,;4.09,2.59,;2.75,3.36,;1.42,2.59,;.08,3.36,;-1.25,2.59,;-1.25,1.05,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,;-2.5,.14,;-3.98,.54,;.08,4.9,;1.42,5.67,;2.75,4.9,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,)|
CNc1nc(Nc2cnn(C3CN(CCC3(F)F)C3COC3)c2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C3CCCC3(C)O)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1C(F)(F)F
COc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1Br
CCNc1nc(Nc2cc(nn2C)C(C)(C)n2nccn2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)[C@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wU:15.18,wD:13.13,(4.7,.38,;3.37,1.15,;3.37,2.69,;2.03,3.46,;.7,2.69,;-.63,3.46,;-1.97,2.69,;-1.97,1.15,;-.72,.25,;-1.2,-1.22,;-2.74,-1.22,;-3.21,.25,;-4.7,.65,;-.43,-2.55,;-.83,-4.04,;.67,-4.46,;1.06,-2.95,;1.44,-5.79,;2.21,-7.13,;-.63,5,;.7,5.77,;2.08,5.03,;3.42,5.8,;4.75,6.57,;2.65,7.13,;4.19,4.47,)|
CCNc1nc(Nc2cn(nc2C)[C@@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wD:13.13,15.18,(4.7,.38,;3.37,1.15,;3.37,2.69,;2.03,3.46,;.7,2.69,;-.63,3.46,;-1.97,2.69,;-1.97,1.15,;-.72,.25,;-1.2,-1.22,;-2.74,-1.22,;-3.21,.25,;-4.7,.65,;-.43,-2.55,;1.06,-2.95,;.67,-4.46,;-.83,-4.04,;1.44,-5.79,;2.21,-7.13,;-.63,5,;.7,5.77,;2.08,5.03,;3.42,5.8,;4.75,6.57,;2.65,7.13,;4.19,4.47,)|
COc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br
Cc1nn(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(c(N[C@H]2C[C@H]2F)n1)C(F)(F)F)C(C)(C)C#N |r|
Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F
COc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
CCNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
CCNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
CCNc1nc(Nc2cnn3CC(F)Cc23)ncc1C(F)(F)F
CCNc1nc(Nc2cnn3CC(Cc23)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2cnn3CC(Cc23)n2nccn2)ncc1C(F)(F)F
Cc1nn(cc1Nc1ncc(Cl)c(OC2CC2)n1)C(C)(C)C#N
CCNc1nc(Nc2cnn3CC(Cc23)n2ccnn2)ncc1C(F)(F)F
COc1nc(Nc2cn(nc2C)C2(C)CCNC2=O)ncc1Br
COc1nc(Nc2cnn(c2C)C2(C)CCNC2=O)ncc1Br
Cc1nn(cc1Nc1ncc(Br)c(NC2CC2)n1)C(C)(C)C#N
Cn1nc(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)n1nccn1
Cc1nn(cc1Nc1ncc(Cl)c(NC2CC2)n1)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(Br)c(NCC(F)F)n1)C(C)(C)C#N
CCNc1nc(Nc2cc(nn2C)C(C)(C)n2nccn2)ncc1Br
Cc1nn(cc1Nc1ncc(c(NC(CF)CF)n1)C(F)(F)F)C(C)(C)C#N
CNc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1C(F)(F)F
Cn1nc(cc1Nc1ncc(Br)c(NC2CC2)n1)C(C)(C)n1nccn1
Cn1nc(cc1Nc1ncc(Br)c(OC2CC2)n1)C(C)(C)n1nccn1
CCNc1nc(Nc2cc(nn2C)C(C)(C)c2ncco2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(n(C)n2)C(C)(C)c2ncco2)ncc1C(F)(F)F
Cc1nn(cc1Nc1ncc(c(NC2(C)CC2)n1)C(F)(F)F)C(C)(C)C#N
CCNc1nc(Nc2cn(nc2C)C(C)(C)c2nncs2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C(C)(C)C)C(C)(C)n2nccn2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2CC)C(C)(C)n2nccn2)ncc1C(F)(F)F
COc1nc(Nc2cn(nc2C)C2(C)CCOC2=O)ncc1Br
CCNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(C3CCCN(CC(F)F)C3)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C2CC2)C(C)(C)C#N)ncc1Br
CCNc1nc(Nc2cn(Cc3ccon3)nc2C2CC2)ncc1C(F)(F)F
COc1nc(Nc2cn(Cc3cc[nH]n3)nc2C2CC2)ncc1Br
CCNc1nc(Nc2cn(nc2C2CC2)C2CS(=O)(=O)C2)ncc1Br
CCNc1nc(Nc2cnn(C3C[C@@H](C3)n3nccn3)c2C2CC2)ncc1C(F)(F)F |r,wU:13.15,(6.04,.8,;4.71,1.57,;4.71,3.11,;3.37,3.88,;2.04,3.11,;.71,3.88,;-.63,3.11,;-.63,1.57,;.62,.66,;.14,-.8,;-1.4,-.8,;-2.17,-2.14,;-3.65,-2.54,;-3.26,-4.02,;-1.77,-3.62,;-4.03,-5.36,;-5.57,-5.36,;-6.04,-6.82,;-4.8,-7.73,;-3.55,-6.82,;-1.87,.66,;-3.36,1.06,;-4.45,2.15,;-4.85,.66,;.71,5.42,;2.04,6.19,;3.37,5.42,;4.71,6.19,;6.04,5.42,;4.71,7.73,;6.04,6.96,)|
CCNc1nc(Nc2cnn(c2Cl)-c2cnccn2)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2Cl)C2(C)CCOC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C2(C)CCOC2=O)ncc1C(F)(F)F
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1(C)CCOC1=O
CCNc1nc(Nc2cnn(c2C2CC2)-c2cnccn2)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(C3C[C@@H](C3)N3CCN(CC(F)F)CC3)c2C)ncc1C(F)(F)F |r,wU:13.15,(6.19,2.95,;4.86,3.72,;4.86,5.26,;3.52,6.03,;2.19,5.26,;.85,6.03,;-.48,5.26,;-.48,3.72,;.77,2.81,;.29,1.35,;-1.25,1.35,;-2.02,.01,;-3.51,-.39,;-3.11,-1.87,;-1.62,-1.48,;-3.88,-3.21,;-5.42,-3.21,;-6.19,-4.54,;-5.42,-5.87,;-6.19,-7.21,;-5.42,-8.54,;-6.19,-9.88,;-3.88,-8.54,;-3.88,-5.87,;-3.11,-4.54,;-1.73,2.81,;-3.21,3.21,;.85,7.57,;2.19,8.34,;3.52,7.57,;4.86,8.34,;4.86,9.88,;6.19,7.57,;6.19,9.11,)|
CCNc1nc(Nc2cn(nc2C2CC2)C2C[C@@H]2C#N)ncc1C(F)(F)F |r|
CNc1nc(Nc2c[nH]nc2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C2CC2)C2CS(=O)(=O)C2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C2CC2)S(C)(=O)=O)ncc1Br
CCNc1nc(Nc2cn(nc2C2CC2)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1Br
CCNc1nc(Nc2cn(nc2Cl)C2(C)CCOC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C2CC2)C(C)(C)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2(C)CCOC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1Br
CCNc1nc(Nc2cc(nn2C2CCC2)C(C)(C)n2nccn2)ncc1C(F)(F)F
CNc1nc(Nc2cc(nn2C2CC2)C(C)(C)c2ncccn2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(=O)N(C)C)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)S(C)(=O)=O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)=O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCC(=O)N2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)n2nccn2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)S(C)(=O)=O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)S(C)(=O)=O)ncc1Br
CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)C#N)ncc1Br
CCNc1nc(Nc2cc(nn2C2CC2)-c2ncoc2C)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C2(C)COC2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C(C)n2nccn2)ncc1Br
CCNc1nc(Nc2cc(nn2C2CC2)C2(C)COC2)ncc1Br
CCNc1nc(Nc2cc(CN3CCCC3=O)nn2C2CC2)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1Br
CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@@H]2C#N)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C2CC2)N2CCCC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)N2CCCS2(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
COc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1Br
CCNc1nc(Nc2cc(nn2C2CC2)N2CCCC2=O)ncc1Br
CCNc1nc(Nc2cc(nn2C2CC2)N2CCCS2(=O)=O)ncc1Br
COc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CC2)[C@@]23C[C@@H]2COC3=O)ncc1C(F)(F)F |r|
CNc1nc(Nc2cc(nn2C2CC2)[C@@]23C[C@@H]2COC3=O)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@H]2C#N)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C2CC2)[C@]23C[C@H]2COC3=O)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ccnc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(nn2C2CC2)[C@]23C[C@H]2COC3=O)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@H]2C(=O)OCC)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@H]2C(N)=O)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C)C2(C)CCOC2=O)ncc1C(F)(F)F
CNc1nc(Nc2cc(nn2C)C2(C)CCOC2=O)ncc1C(F)(F)F
CNc1nc(Nc2cc(nn2C)C2(C)CCn3ccnc23)ncc1C(F)(F)F
CCNc1nc(Nc2ccnn2[C@@H]2C[C@H](O)C2)ncc1C(F)(F)F |r,wU:12.12,14.15,(6.5,-2.67,;5.16,-1.9,;5.16,-.36,;3.83,.41,;2.5,-.36,;1.16,.41,;-.17,-.36,;-.17,-1.9,;1.07,-2.8,;.6,-4.26,;-.94,-4.26,;-1.42,-2.8,;-2.91,-2.4,;-3.68,-1.07,;-5.01,-1.84,;-6.5,-1.44,;-4.24,-3.17,;1.16,1.95,;2.5,2.72,;3.83,1.95,;5.16,2.72,;5.16,4.26,;6.5,1.95,;6.5,3.49,)|
CCNc1nc(Nc2ccnn2[C@H]2C[C@H](O)C2)ncc1C(F)(F)F |r,wU:12.12,wD:14.15,(6.5,-2.67,;5.16,-1.9,;5.16,-.36,;3.83,.41,;2.5,-.36,;1.16,.41,;-.17,-.36,;-.17,-1.9,;1.07,-2.8,;.6,-4.26,;-.94,-4.26,;-1.42,-2.8,;-2.91,-2.4,;-4.24,-3.17,;-5.01,-1.84,;-6.5,-1.44,;-3.68,-1.07,;1.16,1.95,;2.5,2.72,;3.83,1.95,;5.16,2.72,;5.16,4.26,;6.5,1.95,;6.5,3.49,)|
CCNc1nc(Nc2ccnn2[C@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wU:12.12,wD:14.17,(7.24,-2.67,;5.91,-1.9,;5.91,-.36,;4.57,.41,;3.24,-.36,;1.91,.41,;.57,-.36,;.57,-1.9,;1.82,-2.8,;1.34,-4.26,;-.2,-4.26,;-.67,-2.8,;-2.16,-2.4,;-3.5,-3.17,;-4.27,-1.84,;-2.93,-1.07,;-5.75,-1.44,;-7.24,-1.04,;1.91,1.95,;3.24,2.72,;4.57,1.95,;5.91,2.72,;5.91,4.26,;7.24,1.95,;7.24,3.49,)|
CCNc1nc(Nc2ccnn2[C@H]2C[C@@H](C2)n2nccn2)ncc1C(F)(F)F |r,wU:12.12,wD:14.17,(7.74,-2.67,;6.41,-1.9,;6.41,-.36,;5.08,.41,;3.74,-.36,;2.41,.41,;1.07,-.36,;1.07,-1.9,;2.32,-2.8,;1.84,-4.26,;.3,-4.26,;-.17,-2.8,;-1.66,-2.4,;-2.99,-3.17,;-3.76,-1.84,;-2.43,-1.07,;-5.25,-1.44,;-5.73,.03,;-7.27,.03,;-7.74,-1.44,;-6.5,-2.34,;2.41,1.95,;3.74,2.72,;5.08,1.95,;6.41,2.72,;6.41,4.26,;7.74,1.95,;7.74,3.49,)|
CCNc1nc(Nc2ccnn2[C@H]2C[C@@H](C2)n2ccnn2)ncc1C(F)(F)F |r,wU:12.12,wD:14.17,(7.74,-2.67,;6.41,-1.9,;6.41,-.36,;5.08,.41,;3.74,-.36,;2.41,.41,;1.07,-.36,;1.07,-1.9,;2.32,-2.8,;1.84,-4.26,;.3,-4.26,;-.17,-2.8,;-1.66,-2.4,;-2.99,-3.17,;-3.76,-1.84,;-2.43,-1.07,;-5.25,-1.44,;-5.73,.03,;-7.27,.03,;-7.74,-1.44,;-6.5,-2.34,;2.41,1.95,;3.74,2.72,;5.08,1.95,;6.41,2.72,;6.41,4.26,;7.74,1.95,;7.74,3.49,)|
CCNc1nc(Nc2cc(nn2C)[C@@]23C[C@@H]2COC3=O)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C)[C@]23C[C@H]2COC3=O)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C)C2(C)CCCO2)ncc1C(F)(F)F
CCNc1nc(Nc2ccnn2[C@@H]2C[C@@H](C2)n2nccn2)ncc1C(F)(F)F |r,wU:12.12,14.17,(7.74,-2.67,;6.41,-1.9,;6.41,-.36,;5.08,.41,;3.74,-.36,;2.41,.41,;1.07,-.36,;1.07,-1.9,;2.32,-2.8,;1.84,-4.26,;.3,-4.26,;-.17,-2.8,;-1.66,-2.4,;-2.43,-1.07,;-3.76,-1.84,;-2.99,-3.17,;-5.25,-1.44,;-5.73,.03,;-7.27,.03,;-7.74,-1.44,;-6.5,-2.34,;2.41,1.95,;3.74,2.72,;5.08,1.95,;6.41,2.72,;6.41,4.26,;7.74,1.95,;7.74,3.49,)|
CCNc1nc(Nc2ccnn2[C@@H]2C[C@@H](C2)n2ccnn2)ncc1C(F)(F)F |r,wU:12.12,14.17,(7.74,-2.67,;6.41,-1.9,;6.41,-.36,;5.08,.41,;3.74,-.36,;2.41,.41,;1.07,-.36,;1.07,-1.9,;2.32,-2.8,;1.84,-4.26,;.3,-4.26,;-.17,-2.8,;-1.66,-2.4,;-2.43,-1.07,;-3.76,-1.84,;-2.99,-3.17,;-5.25,-1.44,;-6.5,-2.34,;-7.74,-1.44,;-7.27,.03,;-5.73,.03,;2.41,1.95,;3.74,2.72,;5.08,1.95,;6.41,2.72,;6.41,4.26,;7.74,1.95,;7.74,3.49,)|
CCNc1nc(Nc2ccnn2[C@H]2C[C@H](F)C2)ncc1C(F)(F)F |r,wU:12.12,wD:14.15,(6.5,-2.67,;5.16,-1.9,;5.16,-.36,;3.83,.41,;2.5,-.36,;1.16,.41,;-.17,-.36,;-.17,-1.9,;1.07,-2.8,;.6,-4.26,;-.94,-4.26,;-1.42,-2.8,;-2.91,-2.4,;-4.24,-3.17,;-5.01,-1.84,;-6.5,-1.44,;-3.68,-1.07,;1.16,1.95,;2.5,2.72,;3.83,1.95,;5.16,2.72,;5.16,4.26,;6.5,1.95,;6.5,3.49,)|
CCNc1nc(Nc2cc(nn2C2CCC2)C(C)(C)O)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C2CCC2)C(C)(C)OC)ncc1C(F)(F)F
CCNc1nc(Nc2cc(nn2C)C2CCOCC2)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C2(C)CCCC2=O)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2(C)CCCC2=O)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2[C@H]2C[C@@H](C2)n2nccn2)C2CC2)ncc1C(F)(F)F |r,wU:12.12,wD:14.17,(8.41,1.08,;7.08,1.85,;5.74,1.08,;4.41,1.85,;3.07,1.08,;1.74,1.85,;.41,1.08,;.41,-.46,;1.65,-1.36,;1.18,-2.83,;-.36,-2.83,;-.84,-1.36,;-2.33,-.96,;-3.66,-1.73,;-4.43,-.4,;-3.1,.37,;-5.92,-0,;-6.39,1.46,;-7.93,1.46,;-8.41,-0,;-7.16,-.91,;1.95,-4.16,;1.95,-5.7,;3.28,-4.93,;1.74,3.39,;3.07,4.16,;4.41,3.39,;5.74,4.16,;5.74,5.7,;7.08,3.39,;7.08,4.93,)|
CCNc1nc(Nc2cn(nc2[C@H]2C[C@H](C2)n2nccn2)C2CC2)ncc1C(F)(F)F |r,wD:12.12,14.17,(8.41,1.08,;7.08,1.85,;5.74,1.08,;4.41,1.85,;3.07,1.08,;1.74,1.85,;.41,1.08,;.41,-.46,;1.65,-1.36,;1.18,-2.83,;-.36,-2.83,;-.84,-1.36,;-2.33,-.96,;-3.1,.37,;-4.43,-.4,;-3.66,-1.73,;-5.92,-0,;-6.39,1.46,;-7.93,1.46,;-8.41,-0,;-7.16,-.91,;1.95,-4.16,;1.95,-5.7,;3.28,-4.93,;1.74,3.39,;3.07,4.16,;4.41,3.39,;5.74,4.16,;5.74,5.7,;7.08,3.39,;7.08,4.93,)|
CNc1nc(Nc2cn(nc2[C@H]2C[C@@H](C2)n2nccn2)C2CC2)ncc1C(F)(F)F |r,wU:11.11,wD:13.16,(7.74,1.85,;6.41,1.08,;5.08,1.85,;3.74,1.08,;2.41,1.85,;1.07,1.08,;1.07,-.46,;2.32,-1.36,;1.84,-2.83,;.3,-2.83,;-.17,-1.36,;-1.66,-.96,;-2.99,-1.73,;-3.76,-.4,;-2.43,.37,;-5.25,-0,;-5.73,1.46,;-7.27,1.46,;-7.74,-0,;-6.5,-.91,;2.61,-4.16,;2.61,-5.7,;3.95,-4.93,;2.41,3.39,;3.74,4.16,;5.08,3.39,;6.41,4.16,;6.41,5.7,;7.74,3.39,;7.74,4.93,)|
CNc1nc(Nc2cn(nc2[C@H]2C[C@H](C2)n2nccn2)C2CC2)ncc1C(F)(F)F |r,wD:11.11,13.16,(7.74,1.85,;6.41,1.08,;5.08,1.85,;3.74,1.08,;2.41,1.85,;1.07,1.08,;1.07,-.46,;2.32,-1.36,;1.84,-2.83,;.3,-2.83,;-.17,-1.36,;-1.66,-.96,;-2.43,.37,;-3.76,-.4,;-2.99,-1.73,;-5.25,-0,;-5.73,1.46,;-7.27,1.46,;-7.74,-0,;-6.5,-.91,;2.61,-4.16,;2.61,-5.7,;3.95,-4.93,;2.41,3.39,;3.74,4.16,;5.08,3.39,;6.41,4.16,;6.41,5.7,;7.74,3.39,;7.74,4.93,)|
CCNc1nc(Nc2cnn(C3CNCCC3(F)F)c2C)ncc1C(F)(F)F
CCN1CCC(F)(F)C(C1)n1ncc(Nc2ncc(c(NC)n2)C(F)(F)F)c1Cl
CCNc1nc(Nc2cnn(C3CN(CC)CCC3(F)F)c2Cl)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2Cl)C2C[C@@H]2C#N)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2Cl)C2C[C@H]2C#N)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C2CC2)C2C[C@@H]2C#N)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#N)ncc1C(F)(F)F |r|
FC(F)CNc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#N)ncc1C(F)(F)F |r|
COc1nc(Nc2cn(nc2C2CC2)C2C[C@@H]2C#N)ncc1Br |r|
COc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#N)ncc1Br |r|
CCNc1nc(Nc2cn(nc2C2CC2)C2C[C@@H]2C#N)ncc1Br |r|
CCNc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#N)ncc1Br |r|
CCNc1nc(Nc2cn(nc2C)C2(CF)CCOC2=O)ncc1C(F)(F)F
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCN(C)CC1(F)F)N1CCOCC1
CNC(=O)[C@H]1CN(CCO1)c1cc(nc(OC)n1)-n1ncc2cc(C)c(cc12)C1CCN(C)CC1(F)F
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCN(CC1(F)F)C1COC1)N1CCOCC1
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)[C@H]1CCN(C)C[C@H]1F)N1CC(O)C1
CN1CC[C@@H]([C@H](F)C1)c1cc2n(ncc2cc1C)-c1cc(nc(C)n1)N1CC(O)C1
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)[C@H]1CCNC[C@H]1F)N1CCOCC1
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCNCC1(F)F)N1CC(C1)C#N
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCN(CC1)C1COC1)N1CC(O)C1
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)N1CCOCC1)N1CCNCC1
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCN(CC1F)C1COC1)N1CCO[C@@H](CO)C1
Cc1cc2cnn(-c3cc(nc(C)n3)N3CCO[C@H](CO)C3)c2cc1C1CCN(CC1)C1COC1
Cc1cc2cnn(-c3cc(nc(C)n3)N3CCO[C@@H](CO)C3)c2cc1C1CCNCC1
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCNCC1)N1CCOCC1
Cc1nc(cc(n1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1)N1CCO[C@H](CO)C1
COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CN(C)CCO1)N1CC(O)C1
Cc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCOCC1)N1CCO[C@@H](CO)C1
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cnccc1C |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cccc(F)c1C |r|
Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1c(C)cccc1F |r|
Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cncc(F)c1C |r|
Cc1ccc(F)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
COC(=O)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc2[nH]ccc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)C#N |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cc[nH]n1 |r|
Cc1c[nH]nc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1Cl |r|
Cc1cccc(c1C)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(N)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CNc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(=O)Nc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(Cl)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnc2[nH]ccc2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-c1cc[nH]n1 |r|
Cc1cc(Cl)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(Cl)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1C(F)(F)F |r|
Cc1ccc(c(C)c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(F)n2c1 |r|
Cc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1ccc2CC(=O)Nc2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1C#N |r|
Cc1c(F)ccc(c1C)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(F)cc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(F)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-c1cc[nH]c1 |r|
Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(F)c(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)c(F)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)ccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)c(Cl)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccnc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(N)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cc(N)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc2NC(=O)Cc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c[nH]c2ncc(cc12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1ccc2sc(=O)[nH]c2c1 |r|
Nc1ccc(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-n1cccn1 |r|
OCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
COc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1C#N |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1F |r|
Cc1c[nH]c2ccc(C)c(-c3ccc4nc(NC(=O)[C@@H]5C[C@@H]5F)cn4c3)c12 |r|
COCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1-c1ccco1 |r|
CSc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(F)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(=O)c1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CN(C)c1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3)cn2c1
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@H]3C[C@H]3F)cn2c1 |r|
NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(=O)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CCC3)cn2c1
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3(F)F)cn2c1
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC(F)C3)cn2c1 |w:15.17,19.20,(4.93,-.52,;6.02,.57,;7.5,.17,;7.9,-1.32,;8.59,1.26,;8.19,2.74,;6.71,3.14,;5.62,2.05,;4.13,2.45,;3.73,3.94,;2.24,4.34,;1.08,3.23,;-.46,3.23,;-.94,1.76,;-2.43,1.36,;-3.51,2.45,;-3.12,3.94,;-5,2.05,;-6.34,2.82,;-7.11,1.49,;-8.59,1.09,;-5.77,.72,;.31,.86,;1.55,1.76,;3.04,1.36,)|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC(F)(F)C3)cn2c1
CNCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(C)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
COCCOCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
OCCOCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CN(C)Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
C[C@@H]1C[C@@H](CCO1)Nc1c(NC(=O)C2CC[C@H](F)CC2)cnc2ccc(Cl)cc12 |r,wU:16.17,wD:3.7,1.0,(-2.53,5.15,;-2.53,3.61,;-1.2,2.84,;-1.2,1.3,;-2.53,.53,;-3.87,1.3,;-3.87,2.84,;.13,.53,;.13,-1.01,;1.47,-1.78,;2.8,-1.01,;4.14,-1.78,;4.14,-3.32,;5.47,-1.01,;6.8,-1.78,;8.14,-1.01,;8.14,.53,;9.47,1.3,;6.8,1.3,;5.47,.53,;1.47,-3.32,;.13,-4.09,;-1.2,-3.32,;-2.53,-4.09,;-3.87,-3.32,;-3.87,-1.78,;-5.2,-1.01,;-2.53,-1.01,;-1.2,-1.78,)|
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1C[C@H](F)C1 |r,wU:23.27,wD:3.7,1.0,(8.18,-2.86,;7.71,-4.33,;8.74,-5.47,;8.26,-6.94,;6.76,-7.26,;5.73,-6.11,;6.2,-4.65,;9.29,-8.08,;10.83,-7.92,;11.45,-9.33,;10.31,-10.36,;10.31,-11.9,;8.97,-12.67,;7.64,-11.9,;6.31,-12.67,;4.97,-11.9,;4.97,-10.36,;3.64,-9.59,;6.31,-9.59,;7.64,-10.36,;8.97,-9.59,;11.6,-6.59,;13.08,-6.19,;12.68,-4.7,;13.45,-3.37,;11.2,-5.1,)|
C[C@@H]1C[C@@H](CCO1)Nc1c(NC(=O)C2C[C@@](C)(F)C2)cnc2ccc(Cl)cc12 |r,wU:15.17,wD:3.7,1.0,15.16,(.69,7.85,;.15,6.41,;1.13,5.22,;.59,3.77,;-.93,3.52,;-1.91,4.71,;-1.37,6.15,;1.57,2.58,;1.4,1.04,;2.74,.27,;3.82,1.36,;5.31,1.76,;6.4,.67,;5.71,3.25,;4.94,4.58,;6.27,5.35,;5.19,6.44,;7.61,6.12,;7.04,4.02,;2.74,-1.27,;1.4,-2.04,;.07,-1.27,;-1.27,-2.04,;-2.6,-1.27,;-2.6,.27,;-3.93,1.04,;-1.27,1.04,;.07,.27,)|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)[C@H]1CCOC1 |r|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CC(C)(F)C1 |r|
CO[C@H]1CC(C1)c1nc2cnc3ccc(Cl)cc3c2n1C1CCO[C@H](C)C1 |r,wU:2.1,wD:24.28,(4.15,5.34,;4.92,4,;4.15,2.67,;4.54,1.16,;3.05,.76,;2.65,2.25,;2.28,-.57,;2.91,-1.98,;1.76,-3.01,;1.76,-4.55,;.43,-5.32,;-.91,-4.55,;-2.24,-5.32,;-3.57,-4.55,;-3.57,-3.01,;-4.91,-2.24,;-2.24,-2.24,;-.91,-3.01,;.43,-2.24,;.75,-.73,;-.28,.41,;-1.79,.09,;-2.82,1.24,;-2.34,2.7,;-.84,3.02,;-.36,4.49,;.19,1.88,)|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CCOCC1 |r|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CCC(F)(F)CC1 |r|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CCCO1 |r|
CC1CC(CO1)c1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](C)C1 |r|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CCC(F)(F)C1 |r|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1COC1 |r|
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)[C@H]1CC[C@@H](F)C1
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)C1 |r|
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)[C@@H]1CC[C@H](F)CC1 |wU:25.29,22.25,3.7,1.0,(1.71,5.89,;3.19,5.46,;3.56,3.97,;5.04,3.54,;6.15,4.6,;5.78,6.1,;4.31,6.53,;5.41,2.04,;6.83,1.46,;6.72,-.08,;5.22,-.44,;4.5,-1.8,;2.96,-1.85,;2.14,-.54,;.61,-.59,;-.21,.72,;.52,2.08,;2.06,2.13,;2.87,.82,;4.41,.87,;-.29,3.39,;-1.1,4.7,;8.14,2.27,;9.5,1.54,;10.81,2.35,;10.76,3.89,;12.07,4.71,;9.4,4.62,;8.09,3.81,)|
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)[C@H]1CCOC1
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)(F)CC1 |r|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1C[C@@](C)(F)C1 |r,wU:24.29,wD:24.28,1.0,(-.33,4.87,;-.72,3.38,;.36,2.29,;-.03,.81,;-1.52,.41,;-2.61,1.5,;-2.21,2.98,;1.06,-.28,;2.59,-.12,;3.21,-1.53,;2.07,-2.56,;2.07,-4.1,;.74,-4.87,;-.6,-4.1,;-1.93,-4.87,;-3.27,-4.1,;-3.27,-2.56,;-1.93,-1.79,;-.6,-2.56,;.74,-1.79,;-4.6,-1.79,;-5.93,-1.02,;3.36,1.21,;2.96,2.7,;4.45,3.1,;3.68,4.43,;5.93,3.5,;4.84,1.61,)|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1C[C@H](F)C1 |r,wU:24.28,wD:1.0,(.03,4.87,;-.37,3.38,;.72,2.29,;.33,.81,;-1.16,.41,;-2.25,1.5,;-1.85,2.98,;1.41,-.28,;2.95,-.12,;3.57,-1.53,;2.43,-2.56,;2.43,-4.1,;1.09,-4.87,;-.24,-4.1,;-1.57,-4.87,;-2.91,-4.1,;-2.91,-2.56,;-1.57,-1.79,;-.24,-2.56,;1.09,-1.79,;-4.24,-1.79,;-5.57,-1.02,;3.72,1.21,;5.2,1.61,;4.8,3.1,;5.57,4.43,;3.32,2.7,)|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCCCC1(F)F |r|
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C(F)F)[C@H]1CCOC1 |r|
CN1CCC(C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1C[C@@](C)(F)C1 |r,wU:23.28,wD:23.27,(-3.38,3.26,;-2.05,2.49,;-.8,3.39,;.44,2.49,;-.03,1.02,;-1.57,1.02,;1.06,-.06,;2.59,.1,;3.21,-1.31,;2.07,-2.34,;2.07,-3.88,;.74,-4.65,;-.6,-3.88,;-1.93,-4.65,;-3.27,-3.88,;-3.27,-2.34,;-1.93,-1.57,;-.6,-2.34,;.74,-1.57,;-4.6,-1.57,;-5.93,-.8,;3.36,1.43,;2.96,2.92,;4.45,3.32,;3.68,4.65,;5.93,3.72,;4.84,1.83,)|
CN1CCC(C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CC[C@H](F)CC1 |r,wU:24.28,(-3.25,2.87,;-1.92,2.1,;-.67,3,;.58,2.1,;.1,.63,;-1.44,.63,;1.19,-.45,;2.72,-.29,;3.35,-1.7,;2.2,-2.73,;2.2,-4.27,;.87,-5.04,;-.47,-4.27,;-1.8,-5.04,;-3.13,-4.27,;-3.13,-2.73,;-1.8,-1.96,;-.47,-2.73,;.87,-1.96,;-4.47,-1.96,;-5.8,-1.19,;3.49,1.04,;5.03,1.04,;5.8,2.37,;5.03,3.71,;5.8,5.04,;3.49,3.71,;2.72,2.37,)|
CN1CCC(C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1C[C@H](F)C1 |r,wU:23.27,(-2.84,3.18,;-1.51,2.41,;-.26,3.32,;.99,2.41,;.51,.95,;-1.03,.95,;1.6,-.14,;3.13,.02,;3.76,-1.39,;2.61,-2.42,;2.61,-3.96,;1.28,-4.73,;-.05,-3.96,;-1.39,-4.73,;-2.72,-3.96,;-2.72,-2.42,;-1.39,-1.65,;-.05,-2.42,;1.28,-1.65,;-4.06,-1.65,;-5.39,-.88,;3.9,1.35,;5.39,1.75,;4.99,3.24,;5.39,4.73,;3.5,2.84,)|
CN1CCC(C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCOC1
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C(F)(F)F)C1CCOC1 |r|
FC1(F)CC(C1)c1nc2cnc3ccc(Cl)cc3c2n1C1CCOC(CC#N)C1
F[C@H]1CCC(CC1)c1nc2cnc3ccc(Cl)cc3c2n1C1CCO[C@H](CC#N)C1 |r,wU:1.0,wD:25.29,(5.13,4.81,;4.36,3.48,;5.13,2.15,;4.36,.81,;2.82,.81,;2.05,2.15,;2.82,3.48,;2.05,-.52,;2.68,-1.93,;1.54,-2.96,;1.54,-4.5,;.2,-5.27,;-1.13,-4.5,;-2.47,-5.27,;-3.8,-4.5,;-3.8,-2.96,;-5.13,-2.19,;-2.47,-2.19,;-1.13,-2.96,;.2,-2.19,;.52,-.68,;-.57,.41,;-2.05,.01,;-3.14,1.1,;-2.75,2.58,;-1.26,2.98,;-.86,4.47,;-1.95,5.56,;-3.04,6.65,;-.17,1.89,)|
Clc1ccc2ncc3nc([C@H]4CCOC4)n(C4CCOC(CC#N)C4)c3c2c1 |r|
C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(F)cc3c12)C1C[C@@](C)(F)C1 |wU:23.28,wD:1.0,23.27,(1.71,-4.35,;3.19,-3.92,;3.56,-2.43,;5.04,-2,;6.15,-3.06,;5.78,-4.56,;4.31,-4.99,;5.41,-.5,;6.83,.08,;6.72,1.62,;5.22,1.98,;4.5,3.34,;2.96,3.39,;2.14,2.08,;.61,2.13,;-.21,.82,;.52,-.54,;-.29,-1.85,;2.06,-.59,;2.87,.72,;4.41,.67,;8.14,-.73,;9.64,-.38,;9.99,-1.88,;11.49,-1.53,;10.34,-3.38,;8.49,-2.23,)|
CN1CC[C@H](C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)C1 |r|
CN1CC[C@H](C1)n1c(nc2cnc3ccc(F)cc3c12)C1CCC(F)C1 |r|
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(F)cc3c12)C1CCC(F)C1 |r|
CC1(C)CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)C1
F[C@H]1C[C@@H](C1)c1nc2cnc3ccc(cc3c2n1C1CCOCC1(F)F)C#N |r,wU:1.0,wD:3.5,(5.71,5.55,;4.94,4.22,;5.34,2.73,;3.85,2.33,;3.45,3.82,;3.08,1,;3.44,-.41,;2.29,-1.44,;2.29,-2.98,;.96,-3.75,;-.37,-2.98,;-1.71,-3.75,;-3.04,-2.98,;-3.04,-1.44,;-1.71,-.67,;-.37,-1.44,;.96,-.67,;.93,.96,;-.16,2.05,;-1.65,1.65,;-2.74,2.74,;-2.34,4.22,;-.85,4.62,;.24,3.53,;1.73,3.14,;1.33,4.62,;-4.37,-.67,;-5.71,.1,)|
CO[C@H]1C[C@@H](C1)c1nc2cnc3ccc(cc3c2n1C1CCOCC1(F)F)C#N |r,wU:2.1,wD:4.6,(6.45,5.15,;4.96,5.55,;4.19,4.22,;4.59,2.73,;3.1,2.33,;2.71,3.82,;2.33,1,;2.7,-.41,;1.55,-1.44,;1.55,-2.98,;.22,-3.75,;-1.12,-2.98,;-2.45,-3.75,;-3.78,-2.98,;-3.78,-1.44,;-2.45,-.67,;-1.12,-1.44,;.22,-.67,;.19,.96,;-1.15,1.73,;-2.48,.96,;-3.82,1.73,;-3.82,3.27,;-2.48,4.04,;-1.15,3.27,;.39,3.27,;-.38,4.6,;-5.12,-.67,;-6.45,.1,)|
CN1CC(n2c(nc3cnc4ccc(cc4c23)C#N)C2CCC(F)C2)C(F)(F)C1
CCc1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](CC#N)C1 |r|
CCc1nc2cnc3ccc(Cl)cc3c2n1[C@H]1CCO[C@@H](CC#N)C1 |r|
CN1C[C@H](n2c(Cn3ncc(C)n3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1 |r|
CN1C[C@@H](n2c(Cn3ncc(C)n3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1 |r|
Cc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@H]2CCOCC2(F)F)no1 |r|
CN1CC[C@H](C1)n1c(Cc2cc(C)ncn2)nc2cnc3ccc(cc3c12)C#N |r|
Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@H]2CCOCC2(F)F)cn1 |r|
Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCOCC2(F)F)cn1 |r|
C[C@@H]1CC(CCO1)n1c(Cc2cn(C)nn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
Clc1ccc2ncc3nc(C4CCC4)n(C4CCO[C@@H](CC#N)C4)c3c2c1 |r|
Clc1ccc2ncc3nc(C4CCC4)n(C4CCO[C@H](CC#N)C4)c3c2c1 |r|
COc1cnn(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCO[C@H](C)C2)C(F)F)c1 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(cc3c12)C(F)F |r|
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C(O)c1cnc(C)cn1 |r|
C[C@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C(O)c1cnc(C)cn1 |r|
CN1C[C@H](n2c(Cn3cncn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
CN1C[C@@H](n2c(Cn3cncn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
CN1C[C@H](n2c(Cn3cc(C)nn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
CN1C[C@@H](n2c(Cn3cc(C)nn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
CN1C[C@H](n2c(Cc3cnc(C)cn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
CN1C[C@@H](n2c(Cc3cnc(C)cn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@H]2CN(C)CC2(F)F)nn1 |r|
COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CN(C)CC2(F)F)nn1 |r|
CN1C[C@H](n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 |r|
CN1C[C@@H](n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 |r|
COc1cnn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@H]2CCOCC2(F)F)c1 |r|
COc1cnn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCOCC2(F)F)c1 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cn3nc(C)sc3n2)nc2cnc3ccc(F)cc3c12 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCCC1 |r|
Cc1nc2cnc3ccc(Cl)cc3c2n1C1CCOC(CC#N)C1
CN1CC(n2c(Cc3noc(C)n3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1
CN1CC[C@H](C1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(cc3c12)C#N |r|
CN1CC[C@H](C1)n1c(Cn2nnc(C)n2)nc2cnc3ccc(cc3c12)C#N |r|
CN1CC[C@H](C1)n1c(Cc2cc(C)no2)nc2cnc3ccc(cc3c12)C#N |r|
COc1cnn(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCN(C)C2)C#N)c1 |r|
CN1CC[C@H](C1)n1c(Cc2nnc(C)s2)nc2cnc3ccc(cc3c12)C#N |r|
CN1CC[C@H](C1)n1c(Cc2ncc(C)o2)nc2cnc3ccc(cc3c12)C#N |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(cn2)C(F)(F)F)nc2cnc3ccc(cc3c12)C#N |r|
CN1CC[C@H](C1)n1c(Cc2cc(C)ncn2)nc2cnc3ccc(Cl)cc3c12 |r|
COc1cnn(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCO[C@H](C)C2)C(F)(F)F)c1 |r|
CN1CC[C@H](C1)n1c(Cc2noc(C)n2)nc2cnc3ccc(Cl)cc3c12 |r|
CN1CC(n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CN(C)CC2(F)F)nn1
CN1CC(n2c(Cc3noc(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
Cc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)nn1
CN1CC(n2c(Cn3cc(nn3)C3CC3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
CN1CC(n2c(Cn3cc(C)nn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
CN1CC(n2c(Cn3nnc(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
CN1CC(n2c(Cc3cnc(C)cn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
CN1CC(n2c(Cc3cc(C)on3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
COCc1cn(Cc2nc3cnc4ccc(F)cc4c3n2C2CN(C)CC2(F)F)nn1
FC1(F)COCCC1n1c(Cn2cncn2)nc2cnc3ccc(Cl)cc3c12
COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)nn1
Cc1nc(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCN(CC(F)(F)F)C2)C#N)no1 |r|
COc1cnn(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCO[C@H](C)C2)C#N)c1 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2nccs2)nc2cnc3ccc(Cl)cc3c12 |r|
Cc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOC(C2)C(F)F)no1
Cc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)no1
C[C@@H]1C[C@@H](CCO1)n1c(Cc2nccs2)nc2cnc3ccc(cc3c12)C#N |r|
CN1CC[C@H](C1)n1c(Cn2cc(C)nn2)nc2cnc3ccc(Cl)cc3c12 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2csnn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2nccs2)nc2cnc3ccc(F)cc3c12 |r|
F[C@H]1CC[C@H](C1)n1c(Cc2nc3ccccc3o2)nc2cnc3ccc(cc3c12)C#N |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cn2cncn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
CN1CC[C@H](C1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(Cl)cc3c12 |r|
Cc1cc(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CC[C@H](F)C2)C#N)no1 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cscn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2nnc(C)o2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
CC1(C)CC(CCO1)n1c(Cn2cncn2)nc2cnc3ccc(Cl)cc3c12
COc1cnn(Cc2nc3cnc4ccc(Cl)cc4c3n2CC(C)(F)F)c1
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(cn2)C(F)(F)F)nc2cnc3ccc(F)cc3c12 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2nnc(C)s2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
Cc1nc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)no1
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cc(C)ncn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CC[C@H](F)C2)cn1 |r|
CC(Cc1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](C)C1)C#N |r|
FC1CCC(C1)n1c(Cc2csnn2)nc2cnc3ccc(F)cc3c12
C[C@@H]1C[C@@H](CCO1)n1c(CCC#N)nc2cnc3ccc(Cl)cc3c12 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cn2nnc(C)n2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
CN1CC(n2c(Cn3cnnn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
CN1CC(n2c(Cc3ncn(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
CN1CC(n2c(Cc3cn4nc(C)sc4n3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1
CN1CC(n2c(Cn3ncc(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
CN1CC(n2c(Cc3nnc(C)s3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
C[C@@H]1C[C@@H](CCO1)n1c(Cn2cc(C)nn2)nc2cnc3ccc(cc3c12)C(F)F |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cc(C)on2)nc2cnc3ccc(cc3c12)C(F)F |r|
Cc1nnc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)s1
FC1(F)COCCC1n1c(Cn2cc(nn2)C2CC2)nc2cnc3ccc(Cl)cc3c12
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(CO)cn2)nc2cnc3ccc(F)cc3c12 |r|
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(Cl)cc3c12 |r|
C[n]1C=C(c2cnc(Nc3cnn(C)c3Cl)nc12)C(F)(F)F |c:2|
COc1nn(cc1Nc1ncc2c(Cl)cn(C)c2n1)C(C)C
CC(C)n1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(Cl)n1
Cn1cc(Cl)c2cnc(Nc3cn(nc3C(F)(F)F)C3CCOCC3)nc12
Cn1ncc(Nc2ncc3c(Cl)cn(C)c3n2)c1Cl
CCn1cc(Cl)c2cnc(Nc3cnn(C)c3Cl)nc12
CC(C)n1cc(Nc2ncc3c(Cl)cn(C(C)C)c3n2)c(Cl)n1
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C(C)C)nc12
CC(C)n1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(n1)C(F)(F)F
COCCn1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(n1)C(F)(F)F
CCCCn1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(n1)C(F)(F)F
CCn1cc(Cl)c2cnc(Nc3cn(CCOC)nc3Cl)nc12
CCn1cc(Cl)c2cnc(Nc3cn(CC4CC4)nc3Cl)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CC3)nc12
Clc1nn(cc1Nc1ncc2c(Cl)cn(C3CC3)c2n1)C1CC1
CCn1cc(Cl)c2cnc(Nc3cnn(C4COC4)c3Cl)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(C)CC3)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCOCC3)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CC(C)OC(C)C3)nc12
CCN1CCC(CC1)n1cc(Nc2ncc3c(Cl)cn(CC)c3n2)c(Cl)n1
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)-c3ccc(F)cc3)nc12
CCn1cc(Cl)c2cnc(Nc3cnn(c3Cl)-c3ccc(Cl)cc3)nc12
CC(=O)N1CCC(CC1)n1ncc(Nc2ncc3c(Cl)cn(C)c3n2)c1Cl
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C3CC3)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(C)(=O)=O)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C(C)C)nc12
Cn1cc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)nc12
CCn1cc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)nc12
Clc1cn(C2CC2)c2nc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)ncc12
CS(=O)(=O)N1CCC(CC1)n1cc(Nc2ncc3c(Cl)cn(C4CC4)c3n2)c(Cl)n1
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)N3CCOCC3)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)N3CCN(C)CC3)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C(C)(C)C)nc12
CCn1cc(Cl)c2cnc(Nc3c(C)nn(C4CCN(CC4)S(C)(=O)=O)c3C)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(=O)(=O)C3CC3)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)[C@@H]3CCN(C3)S(C)(=O)=O)nc12 |r|
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)[C@H]3CCN(C3)S(C)(=O)=O)nc12 |r|
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)[C@@H]3CCN(C3)C(=O)C3CCCC3)nc12 |r|
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)[C@H]3CCN(C3)C(=O)C3CCCC3)nc12 |r|
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CN(C3)S(C)(=O)=O)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CN(C3)C(=O)C3CC3)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCCN(CC3)S(C)(=O)=O)nc12
CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCCN(CC3)C(=O)C3CC3)nc12
CCn1nc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)nc12
CS(=O)(=O)N1CCC(CC1)n1cc(Nc2ncc3c(Cl)nn(C4CC4)c3n2)c(Cl)n1
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(=O)(=O)C3CC3)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C(F)(F)F)nc12
CS(=O)(=O)N1CCC(CC1)n1cc(Nc2ncc3c(Cl)nn(CC(F)(F)F)c3n2)c(Cl)n1
FC(F)(F)Cn1nc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCCN(CC3)S(C)(=O)=O)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCCN(CC3)C(=O)C3CC3)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C(C)(C)C)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)N3CCOCC3)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(C)(=O)=O)nc12
CCn1nc(Cl)c2cnc(Nc3c(Cl)nn(C4CCN(CC4)C(=O)C4CC4)c3C)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C3CC3)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(C)=O)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(=O)(=O)CC)nc12
CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CN(C3)C(=O)C3CC3)nc12
CCn1nc(Cl)c2cnc(Nc3cnn(C4CN(C4)C4COC4)c3Cl)nc12
CCn1nc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)S(C)(=O)=O)c3Cl)nc12
CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C
Fc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Brc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Fc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Ic1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Clc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
FC(F)(F)c1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Fc1cc(cc(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1nc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc(nc1)C#N
Cc1cc(cc(C)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc(cc1)C#N
Cc1n[nH]c2ccc(NC(=O)c3ccc(cc3C)C#N)cc12
Cc1nc(ccc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
COc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc(cn1)C#N
Cc1ccc(cc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cnc(s1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccnc(c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cc(ccn1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cncc(c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cnc(nc1)C#N
Cc1c(cc(C#N)n1C)C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1
Cc1oc(cc1C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1)C#N
Cc1ccc(cc1C)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccco3)c2c1)C#N
CN(C)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C3CCOCC3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(C)(=O)=O)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(cc3)C(F)(F)F)c2c1)C#N
Cc1oncc1-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cncc(c3)N3CCOCC3)c2c1)C#N
CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Oc1cc(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)C#N)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cncc(c3)C#N)c2c1)C#N
Cc1nc(C#N)n(C)c1C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1
Cc1cc(C#N)c(C)nc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
COc1cc(F)cc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
COc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(ncc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccnc3)c2c1)C#N
Cc1cc(ccc1F)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
COc1ccc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
COc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2c1)C#N
Cc1ccc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(C)c3)c2c1)C#N
Cc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)C(F)(F)F)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(nc3)C(F)(F)F)c2c1)C#N
Cc1cc(F)cc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)C3CC3)c2c1)C#N
Cc1ccc(cc1F)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
FC(F)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ncc(s1)C#N
Clc1cc(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
COc1cncc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
COc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(cc3)N3CCOCC3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc4ocnc4c3)c2c1)C#N
COc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccsc3)c2c1)C#N
Cc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
CCc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3coc(c3)C#N)c2c1)C#N
Fc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cc(n1)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Fc1c(ccnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1cc(C)c2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1nn(C)c(C#N)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cc(on1)C#N
CCc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
C=Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(nc(C)c1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Clc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(I)c2c1)C#N
Cc1cc(NC(=O)c2cccc(C#N)c2C)cc2c(n[nH]c12)-c1ccoc1
Brc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1c(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c(nn1C)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cc(sn1)C#N
Cc1c(nn(C)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1c(nn(C)c1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1cc(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Clc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cn1c(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cn1nc(cc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1ccccc1-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
COc1ccccc1-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2n1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccno3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(CN4CCOCC4)s3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccnc(Br)c3)c2c1)C#N
Cc1c(nc(C#N)n1C)C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(Br)c2c1)C#N
Oc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(cc3)C(=O)N3CCOCC3)c2c1)C#N
CC(C)Oc1cncc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cncs3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1cccc(n1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C#N)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccccn3)c2c1)C#N
C[C@H]1CN(C[C@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12 |r|
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ncc(C#N)c2ccsc12
C[C@H]1C[C@@H](C)CN(C1)c1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12 |r|
Fc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cncc(Cl)c3)c2c1)C#N
Fc1ccc(cc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1c(cnn1C)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cn1cc(nc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Oc1ccc(cc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-n3ccnc3)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cccc(n1)C#N
Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1ncc(o1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cc(cs3)C#N)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(s3)C#N)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1nccc(n1)C#N
Cc1c(n[nH]c1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1c(ccc(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-n3cccn3)c2c1)C#N
Cc1n[nH]c(C#N)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Brc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(Cl)s3)c2c1)C#N
Cc1ncc(s1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc(C#N)c2cccnc12
Cc1cc(cnc1C(=O)Nc1cc(F)c2[nH]nc(-c3ccoc3)c2c1)C#N
Clc1c(ccnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1nc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
Cc1ncc(nc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1ccc(nc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
CCc1c(ccnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ncc(cc1C#C)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(=O)n(C)c3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccn(C)c(=O)c3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccn(C)n3)c2c1)C#N
Oc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1cc2c(n[nH]c2cn1)-c1ccoc1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cscn3)c2c1)C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnsc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ncc2[nH]nc(-c3ccoc3)c2n1)C#N
Cc1cc(nnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
FC(F)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3c(F)ccc(C#N)c3F)cc12
COc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
Cc1cc(cc(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
FC(F)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc12
FC(F)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3cccc(C#N)c3F)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)(F)F)c2c1
COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ccnc(C#N)c3F)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cncc(Cl)c3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(CF)c3)c2c1
FC(F)(F)c1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
Cc1ncc(o1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1
COc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1
COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C(F)(F)F)C#N)cc12
Cc1c(noc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
Cc1c(noc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
CC(C)c1ncc(o1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1cccc(n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cn[nH]c3)c2c1
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
Cc1nc(C(=O)Nc2ccc3[nH]nc(-c4cnn(c4)C(F)F)c3c2)c(C)c(C)c1C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccn(C)c3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(C)c3)c2c1
Fc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
COc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
Cc1cc(cc(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1cc(cc(C)n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
FC(F)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3cccc(C#N)c3C(F)(F)F)cc12
Cc1ccc(C#N)c(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1
COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3c(C)c(nn3C)C#N)cc12
Cc1c(nn(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
Cc1c(nn(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
Cc1coc(n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ncco3)c2c1
Fc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
COc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
COc1cc(cc(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
Cc1nc(C(=O)Nc2ccc3[nH]nc(-c4cnco4)c3c2)c(C)c(C)c1C#N
Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccn(n3)C(F)F)c2c1
CCOc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
O=C(Nc1ccc2[nH]nc(-c3cnco3)c2c1)c1ncc(C#N)c2CCCc12
COc1cc(cc(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Clc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1nc(C(=O)Nc2ccc3[nH]nc(-c4cnoc4)c3c2)c(C)c(C)c1C#N
COc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
FC(F)(F)Oc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1c(cc(C#N)c(=O)n1C)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
CC(=C)c1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
CN1CCC(CC1)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1
CC(C)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
O=C(Nc1ccc2[nH]nc(-c3cnoc3)c2c1)c1ncc(C#N)c2CCCc12
COc1cc(cc(C)n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Clc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C3COC3)c2c1
Cc1nc(C(=O)Nc2ccc3[nH]nc(-c4cncs4)c3c2)c(C)c(C)c1C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
Cn1cc(cc(C#N)c1=O)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
CC(C)c1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
COc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cncs3)c2c1
COc1c(ccnc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
Cc1cc(on1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccncn3)c2c1
CCc1c(ccc(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
CCc1c(ccnc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C\C3CC3)c2c1
COc1c(ccc(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1cc(on1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1
Cc1nccc(n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1cc2c(n[nH]c2cn1)-c1cnco1
Cc1c(nn(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cn(C)nn3)c2c1
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cn(C)nn3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-n3ccoc3=O)c2c1)C#N
CC(C)=Cc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12 |(-7.69,-2.96,;-7.21,-1.49,;-8.24,-.35,;-5.7,-1.17,;-5.23,.29,;-6.13,1.54,;-5.23,2.79,;-3.76,2.31,;-2.43,3.08,;-1.1,2.31,;-1.1,.77,;.24,,;1.57,.77,;1.57,2.31,;2.91,,;2.91,-1.54,;4.24,-2.31,;5.57,-1.54,;6.91,-2.31,;8.24,-3.08,;5.57,,;6.91,.77,;4.24,.77,;4.24,2.31,;-2.43,,;-3.76,.77,)|
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
C\C=C\c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(cn(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
Cn1cc(cc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1
COc1cc(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
CC(=C)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
CC(C)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3c3ccccc3)c2c1
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(N3CCC3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(N3CC(F)(F)C3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(OCc3ccccc3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(C3COC3)c2c1)C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3(C)C)c2c1
COc1cc(nc(C)c1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3CCN(CC3)C(=O)OC(C)(C)C)c2c1 |(10.67,1.19,;9.34,.42,;8.01,1.19,;8.01,2.73,;6.67,.42,;6.67,-1.12,;8.01,-1.89,;9.34,-1.12,;10.67,-1.89,;12.01,-2.66,;5.34,1.19,;5.34,2.73,;4,.42,;2.67,1.19,;2.67,2.73,;1.34,3.5,;0,2.73,;-1.46,3.2,;-2.37,1.96,;-1.46,.71,;-1.94,-.75,;-3.44,-1.07,;-4.47,.07,;-5.98,-.25,;-6.46,-1.71,;-5.43,-2.86,;-3.92,-2.54,;-7.96,-2.03,;-8.44,-3.5,;-8.99,-.89,;-10.5,-1.21,;-10.98,-2.67,;-11.53,-.06,;-12.01,-1.53,;0,1.19,;1.34,.42,)|
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3CCNCC3)c2c1 |(7.9,.87,;6.56,.1,;5.23,.87,;5.23,2.41,;3.9,.1,;3.9,-1.44,;5.23,-2.21,;6.56,-1.44,;7.9,-2.21,;9.23,-2.98,;2.56,.87,;2.56,2.41,;1.23,.1,;-.1,.87,;-.1,2.41,;-1.44,3.18,;-2.77,2.41,;-4.24,2.88,;-5.14,1.64,;-4.24,.39,;-4.71,-1.07,;-6.22,-1.39,;-7.25,-.25,;-8.76,-.57,;-9.23,-2.03,;-8.2,-3.18,;-6.69,-2.86,;-2.77,.87,;-1.44,.1,)|
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C3\CCOC3)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3CCOCC3)c2c1 |(7.9,.87,;6.56,.1,;5.23,.87,;5.23,2.41,;3.9,.1,;3.9,-1.44,;5.23,-2.21,;6.56,-1.44,;7.9,-2.21,;9.23,-2.98,;2.56,.87,;2.56,2.41,;1.23,.1,;-.1,.87,;-.1,2.41,;-1.44,3.18,;-2.77,2.41,;-4.24,2.88,;-5.14,1.64,;-4.24,.39,;-4.71,-1.07,;-6.22,-1.39,;-7.25,-.25,;-8.76,-.57,;-9.23,-2.03,;-8.2,-3.18,;-6.69,-2.86,;-2.77,.87,;-1.44,.1,)|
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3COC3)c2c1 |(7.46,.77,;6.12,,;4.79,.77,;4.79,2.31,;3.46,,;3.46,-1.54,;4.79,-2.31,;6.12,-1.54,;7.46,-2.31,;8.79,-3.08,;2.12,.77,;2.12,2.31,;.79,,;-.55,.77,;-.55,2.31,;-1.88,3.08,;-3.21,2.31,;-4.68,2.79,;-5.58,1.54,;-4.68,.29,;-5.15,-1.17,;-6.66,-1.49,;-7.95,-.65,;-8.79,-1.94,;-7.5,-2.78,;-3.21,.77,;-1.88,,)|
COCc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3C(F)(F)F)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C/C(F)(F)F)c2c1
CC(=C)c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(c2c1)C1(C)CC1
COC(C)c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
CC(C)c1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
CCc1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccnnc3)c2c1)C#N
Cc1cc(cnn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
CC(=C)c1c(cccc1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
Cc1n[nH]c2ccc(NC(=O)c3nc(C)c(C#N)c(C)c3Cl)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3CCC3)c2c1 |(7.46,.77,;6.12,,;4.79,.77,;4.79,2.31,;3.46,,;3.46,-1.54,;4.79,-2.31,;6.12,-1.54,;7.46,-2.31,;8.79,-3.08,;2.12,.77,;2.12,2.31,;.79,,;-.55,.77,;-.55,2.31,;-1.88,3.08,;-3.21,2.31,;-4.68,2.79,;-5.58,1.54,;-4.68,.29,;-5.15,-1.17,;-6.66,-1.49,;-7.95,-.65,;-8.79,-1.94,;-7.5,-2.78,;-3.21,.77,;-1.88,,)|
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
CCc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cccn(C)c3=O)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C\c3ccncc3)c2c1
C\C=C\c1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
Cc1nc(C(=O)Nc2ccc3[nH]nc(C4CC4)c3c2)c(Cl)c(C)c1C#N
CCc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(c3C)C(F)(F)F)cc12
COc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(c3C)C(F)(F)F)cc12
Cc1c(ncc(C#N)c1C(F)(F)F)C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
COc1n[nH]c2ccc(NC(=O)c3nc(C)c(C#N)c(C)c3C)cc12
Cc1cc(C#N)c(nc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C(F)(F)F
Cc1c(ncc(C#N)c1C(F)(F)F)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(C#N)c2c1
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(C(F)F)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C(F)F)c2c1
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(c2c1)C(F)(F)F
CC(C)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
CC(C)c1c(cccc1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(c2c1)S(C)(=O)=O
Cc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
Cc1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
COc1c(ccc(C)c1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(Br)c2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(Cl)c2c1
Cc1n[nH]c2ccc(NC(=O)c3nc(Br)c(C#N)c(C)c3C)cc12
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
COc1nc(C(=O)Nc2ccc(N)c(c2)C(=N)C2CC2)c(C)c(C)c1C#N
Cc1nc(C(=O)Nc2ccc(N)c(c2)C(=N)C2CC2)c(C)c(C)c1C#N
CC(=N)c1cc(NC(=O)c2ncc(C#N)c(Cl)c2C)ccc1N
CC(=N)c1cc(NC(=O)c2nc(Cl)c(cc2C)C#N)ccc1N
COc1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
Clc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
O=C(Nc1ccc2[nH]nc(-c3cnoc3)c2c1)c1ncc(cc1C1CC1)C#N
COc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C3CC3)C#N)cc12
O=C(Nc1ccc2[nH]nc(-c3cnco3)c2c1)c1ncc(cc1C1CC1)C#N
CC(=C)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
Cc1c(C)c(ncc1C#N)C(=O)Nc1cc(F)c2[nH]ncc2c1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(F)c2c1
Cc1n[nH]c2ccc(NC(=O)c3c(F)ccc(C#N)c3C)cc12
CSc1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
Clc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)P(C)(C)=O)c2c1)C#N
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(Cl)c2c1
COc1nc(C(=O)Nc2ccc3[nH]nc(Cl)c3c2)c(C)c(C)c1C#N
COc1nc(C(=O)Nc2ccc3[nH]nc(C)c3c2)c(C)c(C)c1C#N
Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(CCCN3CCCCC3)c2c1)C#N
Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(Br)c2c1
Cc1n[nH]c2ccc(NC(=O)c3nc(C)c(C#N)c(C)c3C)cc12
Cc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3Cl)cc12
Cc1c(C)c(C#N)c(nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1)C(F)F
Cc1c(C)c(C#N)c(nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1)C(F)(F)F
COc1n[nH]c2ccc(NC(=O)c3nc(Br)c(C#N)c(C)c3C)cc12
Cc1c(C)c(C#N)c(Br)nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
Cc1c(Cl)c(nc(Cl)c1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
Cc1c(C)c(C#N)c(C=C)nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
CCc1nc(C(=O)Nc2ccc3[nH]nc(C4CC4)c3c2)c(C)c(C)c1C#N
Cc1c(C)c(C#N)c(nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1)C1CC1
Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C3CC3)c2c1
C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3CN(C3)C(C)=O)nc12)C#N |r|
C[C@H]1COCC1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
C[C@@H]1COCC1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
C[C@H](C(F)F)n1cc(Nc2ncc3cc(C#N)n([C@H]4COC[C@@H]4C)c3n2)c(OC2COC2)n1 |r|
C[C@@H](C(F)F)n1cc(Nc2ncc3cc(C#N)n([C@H]4COC[C@@H]4C)c3n2)c(OC2COC2)n1 |r|
C[C@H]1OCC1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
C[C@@H]1OCC1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
CC(CO)n1cc(Nc2ncc3cc(C#N)n([C@H]4COC[C@@H]4C)c3n2)c(OC2COC2)n1 |r|
C[C@H](ON(c1cnn(c1)C1COC1)c1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1)C(F)(F)F |r|
C[C@@H](ON(c1cnn(c1)C1COC1)c1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1)C(F)(F)F |r|
CO[C@H]1COC[C@@H]1ON(c1cnn(C)c1)c1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
CO[C@@H]1COC[C@H]1ON(c1cnn(C)c1)c1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(CS(C)(=O)=O)nc3OC3COC3)nc12)C#N |r|
C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3O[C@@H]3CN(C(C)=O)C3(C)C)nc12)C#N |r|
C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3O[C@H]3CN(C(C)=O)C3(C)C)nc12)C#N |r|
C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3ccc(cc3OC3COC3)C(C)(C)O)nc12)C#N |r|
C[C@@H](Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1)C(F)(F)F |r|
C[C@H](Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1)C(F)(F)F |r|
C[C@@H]1OC[C@@H]1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
C[C@H]1OC[C@H]1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
C[C@@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
C[C@@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
C[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@H]3C)c2n1 |r|
CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@@H]3COC[C@@H]3C)c2n1)[C@H](C)C#N |r|
CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@@H]3COC[C@@H]3C)c2n1)[C@@H](C)C#N |r|
CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@H]3C)c2n1)[C@H](C)C#N |r|
CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@H]3C)c2n1)[C@@H](C)C#N |r|
Cn1cc(Nc2ncc3cc(C#N)n([C@@H]4CCOC4)c3n2)c(OC2COC2)n1 |r|
Cn1cc(Nc2ncc3cc(C#N)n([C@H]4CCOC4)c3n2)c(OC2COC2)n1 |r|
CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(OC4COC4)nc3O[C@H](C)C(F)(F)F)nc12)C#N |r|
CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3ccc(cc3OC3COC3)C(C)(C)O)nc12)C#N |r|
CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(nc3OC(C)C)[C@H](C)C#N)nc12)C#N |r|
CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(nc3OC(C)C)[C@@H](C)C#N)nc12)C#N |r|
CO[C@@H]1COC[C@H]1n1c(cc2cnc(Nc3ccc(cc3OC3COC3)C(C)(C)O)nc12)C#N |r|
CO[C@@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC(C)C)nc12)C#N |r|
CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(C)nc3OC(C)C)nc12)C#N |r|
CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n(C3COC3)c2n1)C(C)(C)C#N
CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n(C3COC3)c2n1
C[C@@H]1OC[C@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
C[C@H]1OC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3CO[C@@H]3C)c2n1 |r|
CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@@H]3CO[C@H]3C)c2n1 |r|
Cn1cc(Nc2ncc3cc(C#N)n(C4CCOCC4)c3n2)c(OC2COC2)n1
Cc1c(Nc2cc3cc(N4CCN(CC4)[C@@]4(C)COC[C@H]4O)c(Cl)cc3cn2)cnn1C1CC1 |r|
Cc1c(Nc2cc3cc(N4CCN(CC4)[C@]4(C)COC[C@@H]4O)c(Cl)cc3cn2)cnn1C1CC1 |r|
CN1CCN(CC1(C)C)c1cc2nc(Nc3cnn(CC(F)F)c3C)ncc2cc1Cl
F[C@H]1CN(CC[C@@H]1n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COC3)CC2)c1Cl)C1COC1 |r|
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cnn1CCF
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2CCCC2C#N)cnn1C1CC1
CCn1ncc(Nc2ncc3ccc(cc3n2)N2CCCC2C)c1C
CCn1ncc(Nc2ncc3ccc(cc3n2)N2CCC2C)c1C
C[C@@H]1CC[C@@H](C)N1c1ccc2cnc(Nc3cnn(CCF)c3C)nc2c1 |r|
CN1CCC2(CCN(C2)c2cc3nc(Nc4cnn(CC(C)(C)O)c4Cl)ncc3cc2Cl)C1
CC1(O)CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
OCC1CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
FC(F)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CCCC2)c1Cl
O[C@H]1CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl |r|
OC1CN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
OC[C@H]1[C@@H]2CN(C[C@H]12)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl |r|
OC[C@H]1CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl |r|
OC1CCN(CC1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
OC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
CN(C)[C@@H]1CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl |r|
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)cnn1C1CC1
FC1(F)CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCn3cnnc3C2)cnn1C1CC1
FC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CCC2)cnn1C1CC1
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CCC#N)CC2)cnn1C1CC1
CC(=O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CC(C)(O)CN1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CC1CN(CCN1CC(C)(C)O)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3C[C@H]2CN3C2COC2)cnn1C1CC1 |r|
CC1(O)CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
OC1C2CC1CN(C2)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
C[C@@]1(O)[C@H]2CC[C@@H]1CN(C2)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl |r|
OC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CC1(O)CCN(C1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CN(C)[C@@H]1CCN(C1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
C[C@@]1(O)[C@H]2CC[C@@H]1CN(C2)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
CC1(O)C2CC1CN(C2)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CN1CCC2CCN(C2C1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CCCC2)cnn1C1CC1
CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CN(C1COC1)c1ccc2cnc(Nc3cnn(C4CCOCC4)c3C)nc2c1
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(C4CCOCC4)c3C)nc2c1 |r|
Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C
Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C
Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)CCOC2)cnn1C12CC(C1)C2
COCC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)c1Cl |r|
O[C@H]1COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
O[C@@H]1COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
C[C@]1(O)COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
C[C@@]1(O)COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
CC1(O)CCN(CC1)c1cc2nc(Nc3cnn([C@H]4CCN(C[C@@H]4F)C4COC4)c3Cl)ncc2cc1Cl |r|
OC1CCN(CC1)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
OC1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CC1(O)CCN(CC1)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)cn1
CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)c1Cl
CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cn1
CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)cnn1C1CC1
COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COC(CO)C3)CC2)cn1
COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N(C)C)cn1
COCC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CC3CCC(C2)O3)c1Cl
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CCC#N)CC2)c1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC(F)C4)c3Cl)ncc2cc1Cl |(8.37,-1.81,;7.83,-3.25,;7.06,-4.59,;8.39,-5.36,;9.16,-4.02,;6.82,-2.09,;7.45,-.68,;6.56,.57,;5.02,.41,;4.39,-.99,;5.29,-2.24,;4.06,1.61,;2.52,1.46,;1.62,2.7,;.09,2.55,;-.81,3.79,;-2.33,3.55,;-2.9,1.96,;-2.16,.62,;-3.21,-.51,;-4.6,.14,;-5.98,-.55,;-7.48,-.21,;-7.83,-1.71,;-9.16,-2.48,;-6.33,-2.05,;-4.42,1.67,;-5.53,2.73,;-.18,5.2,;1.35,5.36,;2.25,4.11,;3.78,4.27,;4.69,3.02,;6.22,3.17,)|
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)c1Cl
FC(F)(F)C1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)c1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C3(CC3)C(F)(F)F)ncc2cc1Cl
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCc3[nH]ncc3C2)cnn1C1CC1
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)cnn1C1CC1 |r|
OC1C2CC1CN(C2)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
CN(C)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)c1Cl |r|
COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)cn1 |r|
CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)cn1 |r|
COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCOC3)CC2)cn1
COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCCO3)CC2)cn1
COCC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COCC3=O)CC2)cnn1C1CC1
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C
C[C@@]1(O)[C@H]2CC[C@@H]1CN(C2)c1cc2nc(Nc3cnn(c3Cl)C34CC(C3)C4)ncc2cc1Cl |r|
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCOC3)CC2)cnn1C12CC(C1)C2
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCCO3)CC2)cnn1C12CC(C1)C2
C[C@@]1(O)[C@H]2CC[C@@H]1CN(C2)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl |r|
CN(C)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
CNc1cc2nc(Nc3cnn(C4CCN(CC4)C4(C)COC4)c3Cl)ncc2cc1Cl
CCNc1cc2nc(Nc3cnn(C4CCN(CC4)C4(C)COC4)c3Cl)ncc2cc1Cl
CC(C)Nc1cc2nc(Nc3cnn(C4CCN(CC4)C4(C)COC4)c3Cl)ncc2cc1Cl
CC1CN(CCC1(C)O)c1cc2nc(Nc3cnn(C4CC4)c3C)ncc2cc1Cl
O[C@@H]1COC[C@@H]1N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
CC(C)Nc1ccc2cnc(Nc3cnn(C4CCN(CC4)C4(C)COC4)c3Cl)nc2c1Cl
CC1(O)CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1C#N
Cc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCC(C)(O)CC1
OC1COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(F)(C3)C4)ncc2cc1Cl
CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C(F)F)c3Cl)ncc2cc1Cl
CC1(CCOC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1
Cc1c(N2CCN(CC2)C2(C)COC2)c(Cl)cc2cnc(Nc3cnn(CC(F)(F)F)c3)nc12
Cn1ncc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c1C(F)(F)F
Cn1ncc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c1C(F)F
FC(F)(F)Cn1ccc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)n1
CC(C)Nc1ccc2cnc(Nc3cnn(c3)C3CCN(CC3)C3(C)COC3)nc2c1
CC1CCN1c1cc2nc(Nc3cnn(c3)C3CN(CC(C)(C)O)C3)ncc2cc1Cl
CC1CCN1c1cc2nc(Nc3cnn(c3)C3CCN(CC3)C3(C)COC3)ncc2cc1Cl
CCn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1C
C[C@H]1CN(CCN1C1COC1)c1cc2nc(Nc3cnn(CCF)c3C)ncc2cc1Cl |r|
Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1C(F)(F)F
CC1(CC1)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cn1
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC(F)(F)F)c3)ncc2cc1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn4CCCc34)ncc2cc1Cl
Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c(n1)C(F)(F)F
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
CC1(O)CC2(CN(C2)c2cc3nc(Nc4cnn(c4)C4CC4)ncc3cc2Cl)C1
CC1CCC11CN(C1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CC3(C2)CC(C)(O)C3)c1Cl
CC1(O)CC2(CN(C2)c2cc3nc(Nc4cnn(C5CC5)c4Cl)ncc3cc2Cl)C1
CCC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
CCC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CC(C)(C)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CC(F)(F)C2)c1Cl
CC(C)(C)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CC(F)(F)C2)c1Cl
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
CN1CC2CC1CN2c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
C[C@H]1CN(C)CCN1c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl |r|
CN1CC2(C1)CN(C2)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CC3(CN(CC(F)(F)F)C3)C2)c1Cl
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CC(F)C2)c1Cl
CO[C@H]1CCN(C1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl |r|
C[C@H]1CN(CCN1C1COC1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl |r|
CN1CCC2(CCN(C2)c2cc3nc(Nc4cnn(c4Cl)C4(C)CC4)ncc3cc2Cl)C1
CC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
CN1CCN(CC1=O)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCn3cnnc3C2)c1Cl
CC(C)(C)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cn1
Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4CC4)c3Cl)ncc2cc1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4COC4)c3Cl)ncc2cc1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CCC4)c3Cl)ncc2cc1Cl
CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
CC1(Cn2ncc(Nc3ncc4cc(Cl)c(cc4n3)N3CCN(CC3)C3(C)COC3)c2Cl)COC1
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4(CC4)C#N)c3)ncc2cc1Cl
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4CCC4)c3Cl)ncc2cc1Cl
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CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(c3)C(F)F)ncc2cc1Cl
CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cn1
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
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CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3ccn(CC(F)(F)F)n3)ncc2cc1Cl
CC(C)(C)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cn1
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4C[C@@H](F)[C@H](F)C4)c3)ncc2cc1Cl |r|
CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4C[C@H](F)[C@@H](F)C4)c3)ncc2cc1Cl |r|
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CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4CC4(F)F)c3)ncc2cc1Cl
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CCn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1F
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cnn1C1CC1
CC(C)(O)CC(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
CC(C)(C#N)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)c1Cl
Cc1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)sn1
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cnn1C1CC1(F)F
CC1(O)CCN(CC1)c1cc2nc(Nc3cnn(c3)C34CC(C3)C4)ncc2cc1Cl
CC1(O)CCN(CC1)c1c(Cl)cc2cnc(Nc3cnn(c3Cl)C34CC(C3)C4)nc2c1Cl
CO[C@H]1C[C@@H](C1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1C |r,wU:4.6,wD:2.1,(-6.67,-1.91,;-5.14,-1.75,;-4.51,-.35,;-3.07,.21,;-3.63,1.64,;-5.06,1.09,;-3,3.05,;-3.77,4.38,;-2.74,5.53,;-1.33,4.9,;0,5.67,;1.34,4.9,;2.67,5.67,;4,4.9,;4,3.36,;5.34,2.59,;5.34,1.05,;6.67,.28,;4,.28,;2.67,1.05,;2.67,2.59,;1.34,3.36,;4,-1.26,;2.67,-2.03,;2.67,-3.57,;4,-4.34,;3.23,-5.67,;4.77,-5.67,;5.34,-3.57,;5.34,-2.03,;-1.49,3.37,;-.35,2.34,)|
CO[C@H]1C[C@H](C1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1C |r,wU:4.6,2.1,(-6.67,-1.91,;-5.14,-1.75,;-4.51,-.35,;-5.06,1.09,;-3.63,1.64,;-3.07,.21,;-3,3.05,;-3.77,4.38,;-2.74,5.53,;-1.33,4.9,;0,5.67,;1.34,4.9,;2.67,5.67,;4,4.9,;4,3.36,;5.34,2.59,;5.34,1.05,;6.67,.28,;4,.28,;2.67,1.05,;2.67,2.59,;1.34,3.36,;4,-1.26,;2.67,-2.03,;2.67,-3.57,;4,-4.34,;3.23,-5.67,;4.77,-5.67,;5.34,-3.57,;5.34,-2.03,;-1.49,3.37,;-.35,2.34,)|
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cnn1C(C)(C)C#N
COC1CCC1n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1C
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C(C)(C)C#N
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1CC(F)F
OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1Cl
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1CC(F)(F)F
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1(F)F
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1(F)F
OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3)C(F)F)ncc2cc1Cl
CC(C)(C)n1nccc1Nc1ncc2cc(Cl)c(cc2n1)N1CCN(CC1)C1(C)COCC1O
Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1C(F)F
CC(C)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1C(F)F
Cc1c(Nc2cc3cc(N4CCN(CC4)C4(C)COCC4O)c(Cl)cc3cn2)cnn1C1CC1
CC1(COCC1O)N1CCN(CC1)c1cc2cc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
Cc1c(Nc2cc3cc(N4CCN(CC4)C4(C)COCC4O)c(Cl)cc3cn2)cnn1C1CC1(F)F
CC1(COCC1O)N1CCN(CC1)c1cc2cc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
FC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCNCC2)c1Cl
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3C(F)F)ncc2cc1Cl |r|
CCn1ncc(Nc2ncc3ccc(cc3n2)N2[C@@H](C)COC2=O)c1C |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn([C@@H]4CCN(C[C@H]4F)C4COC4)c3Cl)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(C4C[C@H](C)O[C@H](C)C4)c3C)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cn(nc3C)C3C[C@H](C)O[C@H](C)C3)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cn(C)nc3C(F)(F)F)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3snc(C)c3C3CC3)nc2c1 |r|
Cn1cc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c(n1)C(F)(F)F
C[C@@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(C4CCOCC4)c3C)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3snc(C)c3C)nc2c1 |r|
Cc1c(Nc2ncc3ccc(cc3n2)N2C(COC2=O)C2CC2)cnn1C1CCOCC1
CCn1ncc(Nc2ncc3ccc(cc3n2)N2C(COC2=O)C2CC2)c1C
CCn1ncc(Nc2ncc3ccc(cc3n2)N2C(C)CCC2=O)c1C
CCn1ncc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c1C
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(CC(F)(F)F)c3)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cc(C)nn3C)nc2c1 |r|
Cn1ncc(Cl)c1Nc1ncc2cc(Cl)c(cc2n1)N1CCN(CC1)C1(C)COCC1O
CCc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1N1CCN(CC1)C1(C)COCC1O
Cc1c(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)cnn1C1CC2(C1)CN(C2)C1COC1
Cc1nn(cc1Nc1ncc2ccc(cc2n1)N1C2CCC(C2)C1=O)C1CC2(C1)CN(C2)C1COC1
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnsc3)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3ccns3)nc2c1 |r|
CC(C)c1cc(Nc2ncc3ccc(cc3n2)N2[C@@H](C)COC2=O)ns1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cc(ns3)C(C)(C)C)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn([C@H]4CCN(C[C@H]4C)C4COC4)c3Cl)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cn(C)nc3C(F)F)nc2c1 |r|
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn4CCCCc34)nc2c1 |r|
Cc1nsc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c1C
Cn1nc(Cl)cc1Nc1ncc2cc(Cl)c(cc2n1)N1CCN(CC1)C1(C)COCC1O
CC1CC(C)(O)CCN1c1cc2nc(Nc3cnn(C4CC4)c3C)ncc2cc1Cl
C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cn(nc3Cl)C3CCCCC3)nc2c1 |r|
CN1CCN(CC1)c1cc2nc(Nc3cnn(C)c3Cl)ncc2cc1Cl
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC(C)(C)C2)cnn1C1CC1
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC(C)(C)C2)cnn1C1CC1
CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)CCOC2)c1Cl
CC1CN(CCN1C1COCC1O)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
CC1CN(CCN1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COCC1O
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCNCC2)cnn1C12CC(C1)C2
OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(C3)C4)ncc2cc1Cl
Cc1cc2cnc(Nc3cnn(c3Cl)C34CC(C3)C4)nc2cc1N1CCN(CC1)C1(C)COCC1O
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C(F)F
CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(F)(C3)C4)ncc2cc1Cl
C[C@H]1CN(CCN1C1(C)COCC1O)c1cc2nc(Nc3cc(C)nn3C3CC3)ncc2cc1Cl |r|
Cn1nc(cc1Nc1ncc2cc(Cl)c(cc2n1)N1CCC(C)(O)CC1)C(C)(C)n1nccn1
CC(C)(O)Cn1ncc(Nc2ncc3cc(Br)c(NCC4CC4)nc3n2)c1Cl
CC1(COC1)N1CCN(CC1)c1nc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
CCn1ncc(Nc2ncc3ccc(nc3n2)N2[C@H]3CC[C@H](C3)C2=O)c1C |r|
CCn1ncc(Nc2ncc3ccc(nc3n2)N2[C@@H]3CC[C@@H](C3)C2=O)c1C |r|
Cc1c(Nc2ncc3cc(F)c(NCC4CC4)nc3n2)cnn1C1CCOCC1
OC1COCC1N1CCN(CC1)c1nc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
Cc1c(Nc2ncc3cc(Cl)c(nc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOCC1)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCCOC1)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCCOC1)c4n3 |r|
Cc1c2Nc3ncc4c(nn(CCCOc2nn1C1CCOCC1)c4n3)C(F)(F)F
Cc1c2Nc3ncc4c(Br)nn(CCCOc2nn1C1CCOCC1)c4n3
Cc1c2Nc3ncc4c(nn(CCCOc2nn1C1CCOCC1)c4n3)C1CC1
Cc1nn2CCCOc3nn(C4CCOCC4)c(C)c3Nc3ncc1c2n3
Cc1c2Nc3ncc4c(nn(CCCOc2nn1C1CCOCC1)c4n3)C#N
Clc1nn2CCCOc3nn(C4CCOCC4)c(C4CC4)c3Nc3ncc1c2n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1CC12CC(C1)CO2)c4n3 |(-9.13,7.47,;-7.88,6.57,;-6.43,7.14,;-5.98,8.61,;-1.52,8.96,;-.28,9.87,;1.13,9.24,;1.29,7.71,;2.54,6.8,;4,7.28,;2.06,5.34,;.52,5.34,;-.38,4.09,;-1.87,3.7,;-3.2,4.47,;-3.97,5.88,;-5.51,5.8,;-6.42,4.55,;-7.88,5.03,;-9.13,4.12,;-8.97,2.59,;-10.11,1.56,;-9.49,.16,;-8.81,1.11,;-7.96,.32,;-7.64,1.82,;.05,6.8,;-1.36,7.43,)|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1CC1(C)COC1)c4n3
Cc1c(c(OCCCn2nc(Cl)c3cnc(Cl)nc23)nn1C1CCOCC1)[N+]([O-])=O
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1(C)COC1)c4n3
FC1(CC1)c1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOCC1)c4n3
CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOCC1)c4n3
C[C@H]1C[C@H](CCO1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
C[C@H]1C[C@@H](CCO1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
C[C@@H]1COCC[C@@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
C[C@@H]1COCC[C@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
C[C@H]1COCC[C@@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
C[C@H]1COCC[C@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CC[C@H](F)CC1)c4n3 |r,wU:22.24,wD:19.20,(-6.63,6.73,;-5.38,5.83,;-3.89,6.39,;-3.44,7.87,;.85,9.05,;2.09,9.96,;3.5,9.33,;3.66,7.8,;4.91,6.89,;6.37,7.37,;4.43,5.43,;2.89,5.43,;2.12,4.09,;.79,3.32,;-.7,3.72,;-1.47,5.06,;-3.01,5.06,;-3.92,3.81,;-5.38,4.29,;-6.63,3.38,;-8.03,4.01,;-9.28,3.1,;-9.12,1.57,;-10.37,.67,;-7.71,.94,;-6.47,1.85,;2.41,6.89,;1.01,7.52,)|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCC(F)(F)CC1)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCCCOC1)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCCCOC1)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCCCOC1)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCOC[C@@H]1F)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCOC[C@@H]1F)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C12CC(C1)(C2)C(N)=O)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CC2(COC2)C1)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1(CC1)C(N)=O)c4n3
CO[C@H]1CC[C@@H](CC1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r,wU:2.1,wD:5.8,(-9.72,-1.27,;-10.01,.24,;-8.84,1.25,;-9.03,2.78,;-7.8,3.71,;-6.38,3.1,;-6.2,1.57,;-7.43,.65,;-5.18,4.07,;-3.71,3.59,;-2.81,4.84,;-1.27,4.84,;-.5,3.5,;.83,2.73,;2.17,3.5,;2.77,4.92,;4.31,4.92,;4.79,6.38,;6.27,6.83,;3.54,7.29,;3.38,8.82,;1.98,9.45,;.73,8.54,;-3.22,7.66,;-3.67,6.19,;-5.18,5.61,;-6.42,6.51,;.89,7.01,;2.3,6.38,)|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1C2COCC12)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CC1(F)F)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CC1(F)F)c4n3 |r|
C[C@H]1C[C@H](C[C@@H](C)O1)n1nc(OCCCn2nc(Cl)c3cnc(Cl)nc23)c(c1C)[N+]([O-])=O |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCOC(C)(C)C1)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCOC(C)(C)C1)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CC2CCC(C1)O2)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOC[C@@]1(C)F)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOC[C@]1(C)F)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1CC1CCOCC1)c4n3
CO[C@H]1CC[C@@H](CC1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1Br)nc34 |r,wU:2.1,wD:5.8,(-24.77,11.95,;-24.24,10.5,;-22.7,10.5,;-21.93,11.84,;-20.39,11.84,;-19.62,10.5,;-20.39,9.17,;-21.93,9.17,;-18.08,10.5,;-17.17,9.26,;-15.71,9.73,;-14.94,8.4,;-14.94,6.86,;-13.12,5.83,;-11.78,6.6,;-11.01,7.93,;-9.47,7.93,;-9,9.39,;-7.53,9.87,;-10.24,10.3,;-10.4,11.83,;-11.81,12.46,;-13.06,11.55,;-14.46,12.18,;-15.71,11.27,;-17.17,11.75,;-17.65,13.21,;-12.9,10.02,;-11.49,9.39,)|
C[C@@H]1C[C@@H](CCO1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCOC2(CC2)C1)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCOC2(CC2)C1)c4n3 |r|
CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCOCC1F)c4n3 |r|
CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCOCC1F)c4n3 |r|
CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CC[C@@H](CC1)OC)c4n3 |r,wU:23.28,wD:20.21,(-6.78,11.35,;-6.94,9.82,;-5.69,8.91,;-4.16,9.58,;-2.1,11.54,;.87,11.5,;2.12,12.41,;3.52,11.78,;3.69,10.25,;4.93,9.34,;6.4,9.82,;4.46,7.88,;2.92,7.88,;2.15,6.54,;.81,5.77,;-1.01,6.81,;-1.78,8.14,;-3.32,8.14,;-4.23,6.9,;-5.69,7.37,;-6.94,6.47,;-8.34,7.09,;-9.59,6.19,;-9.43,4.66,;-8.02,4.03,;-6.78,4.93,;-10.67,3.75,;-10.51,2.22,;2.44,9.34,;1.03,9.97,)|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCCOCC1)c4n3 |r|
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCCOCC1)c4n3 |r|
F[C@@H]1COCC[C@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1Br)nc34 |r|
F[C@H]1COCC[C@@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1Br)nc34 |r|
Clc1nn2CCCOc3nn([C@H]4CCOC5(CC5)C4)c(Br)c3Nc3ncc1c2n3 |r|
Clc1nn2CCCOc3nn([C@@H]4CCOC5(CC5)C4)c(Br)c3Nc3ncc1c2n3 |r|
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
O=C1NCCCOc2ccc3[nH]nc(-c4cncc(CO1)c4)c3c2
CN1CCCOc2ccc3[nH]nc(-c4cncc(COC1=O)c4)c3c2
Fc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
O=C1NCCCOc2ccc3[nH]nc(-c4cccc(CO1)n4)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cccc(CO1)c4)c3c2
CC(C)N1CCCOc2ccc3[nH]nc(-c4cncc(COC1=O)c4)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4ccnc(CO1)c4)c3c2
COc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
Brc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
Fc1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
Cc1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCCC1)c3c2
CC(C)N1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC4(COC4)C1)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCN(CC1)C1COC1)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCOCC1)c3c2
C[C@H]1CN(C[C@@H](C)O1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |r|
Cc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
COc1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
FC1(F)CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
FC1(F)CCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1c4)c3c2
COCCC1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
O=C1NCCOc2ccc3[nH]nc(-c4cccc(CCO1)c4)c3c2
O[C@@H]1CCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |r|
COCCN(C)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
Clc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
Cc1c(F)cc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
Fc1cc-2cc(COC(=O)NCCCOc3ccc4[nH]nc-2c4c3)c1F
Brc1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
CN1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
COC1CN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC(CC1)C#N)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC(CC1)N1CCCC1)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC1)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCCCC1)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1=CCOC1)c3c2 |t:24|
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC(CC1)N1CCOCC1)c3c2
CN1CCC(=CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |c:4|
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1C[C@@H]4C[C@H]1CO4)c3c2 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CN5CCOCC5)cc(CO1)c4)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CN5CCCC5)cc(CO1)c4)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CN5CCCCC5)cc(CO1)c4)c3c2
CN1CCN(Cc2cc3COC(=O)NCCCOc4ccc5[nH]nc(-c(c2)c3)c5c4)CC1
O=C1NCCCOc2ccc3[nH]nc(-c4ccc(N5CCOCC5)c(CO1)c4)c3c2
COCCN1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
CCN(CC)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1CC1)c3c2
CN1CCN(CC1)c1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
CC1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)cc23
O=C1NCCCOc2ccc3[nH]nc(-c4cnn(CCO1)c4)c3c2
CN(C1COC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
CN(C)Cc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
CN1CCCOc2ccc3[nH]nc(-c4cc(C)cc(COC1=O)c4)c3c2
CC(C)Oc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(F)cc1c4)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1=CCN(CC1)C1COC1)c3c2 |t:24|
CC1CCCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
O[C@H]1CCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |r|
Fc1cc2cc(c1)-c1n[nH]c3ccc(OCCCN4CC2OC4=O)cc13
O=C(NCCCOc1ccc2[nH]ncc2c1)OCc1cccc(c1)C1CCOC1
C[C@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
Cn1ccc(n1)-c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
C[C@@H]1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1c4)c3c2 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(OCCN1CCOCC1)c4)c3c2
COCCc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
C[C@H]1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1c4)c3c2 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4ccc(C5CC5)c(CO1)c4)c3c2
COCCOc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
CC1CCNC(=O)OCc2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23
CC1CCOc2ccc3[nH]nc(-c4cccc(COC(=O)N1)c4)c3c2
O=C1COCCN1c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
O=C1CCCN1c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
O=C1CCCN1c1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
CC1CCCN1c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CC#N)cc(CO1)c4)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C#C)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCNCC1)c3c2 |$;;NH;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1=CCNCC1)c3c2 |t:24|
COCC1CCOc2ccc3[nH]nc(-c4cccc(COC(=O)N1)c4)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4ccn(CCO1)n4)c3c2
CC1CCOc2ccc3[nH]nc(-c4cnn(CCOC(=O)N1)c4)c3c2
CC1CNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(OC1)cc23
CCC1CCOc2ccc3[nH]nc(-c4cccc(COC(=O)N1)c4)c3c2
CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(F)c(C)c1c4)c3c2
COc1c(F)cc-2cc1C(C)OC(=O)NCCCOc1ccc3[nH]nc-2c3c1
CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(C)c(F)c1c4)c3c2
O=C1OC2CN1CCCOc1ccc3[nH]nc(-c4cccc2c4)c3c1
CC1CCNC(=O)OCc2cccc(n2)-c2n[nH]c3ccc(O1)cc23
CC1CNC(=O)OCCn2cc(cn2)-c2n[nH]c3ccc(OC1)cc23
CC1Cn2cc(cn2)-c2n[nH]c3ccc(OCCCNC(=O)O1)cc23
COc1cc-2cc(C(C)OC(=O)NCCCOc3ccc4[nH]nc-2c4c3)c1F
C[C@@H]1CCNC(=O)O[C@H](C)c2cccc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCCn2cc(cn2)-c2n[nH]c3ccc(O1)cc23 |r|
O=C1OCc2cncc(c2)-c2n[nH]c3ccc(OCC4CCN1C4)cc23
O=C1NCCCOc2ccc3[nH]nc(-c4ccn(CCO1)c4)c3c2
C[C@H]1CCNC(=O)OCc2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cncc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4cnn(c4)C(CO1)C1CC1)c3c2
CCC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1c4)c3c2
C[C@@H]1CCNC(=O)OCc2nccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)O[C@H](C)c2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cncc1c4)c3c2
C[C@H]1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(F)cc1c4)c3c2 |r|
CC1COC(=O)NCCCOc2ccc3[nH]nc(-c4cnn1c4)c3c2
CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1n4)c3c2
CC(C)C1COC(=O)NCCCOc2ccc3[nH]nc(-c4cnn1c4)c3c2
C[C@@H]1CCNC(=O)OC(C)Cn2cc(cn2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cc(ccn2)-c2n[nH]c3ccc(O1)cc23 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4cnn(c4)C(CO1)C1CCOCC1)c3c2
CCC1CC2=NN1CCOC(=O)NCCCOc1ccc3[nH]nc2c3c1 |c:4|
C[C@@H]1CCNC(=O)OCc2cccc(-c3n[nH]c4ccc(O1)cc34)c2F |r|
O=C1NCCOc2ccc3[nH]nc(-c4cnn(CCCO1)c4)c3c2
CCc1cc-2nn1CCOC(=O)NCCCOc1ccc3[nH]nc-2c3c1
O=C1NCCCOc2ccc3[nH]nc(-c4cc(CCCO1)no4)c3c2
C[C@@H]1CCNC(=O)OCc2cncc(c2)-c2n[nH]c3cc(F)c(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cc(Cl)cc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
O=C1NCCCOc2ccc3[nH]nc(-n4cnc(CCO1)c4)c3c2
COc1cc2COC(=O)NCC[C@@H](C)Oc3ccc4[nH]nc(-c(c1)n2)c4c3 |r|
C[C@@H]1CCNC(=O)OCc2cc(ccc2C#N)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2nc(cc(n2)-c2n[nH]c3ccc(O1)cc23)N1CCCC1 |r|
C[C@@H]1CCNC(=O)OC(C)c2nccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cc(F)c(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4csc(CCO1)n4)c3c2
O=C1NCCCOc2ccc3[nH]nc(-c4nc(CCO1)cs4)c3c2
C[C@@H]1CCNC(=O)O[C@H](C)c2cccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
CO[C@@H]1CCN(C1)c1cc-2nc(COC(=O)NCC[C@@H](C)Oc3ccc4[nH]nc-2c4c3)n1 |r|
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cc(Cl)c(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cc(C)c(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2ccnc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
O=C1NCCCNc2ccc3[nH]nc(-c4cccc(CO1)c4)c3c2
O=C1NCCCCc2ccc3[nH]nc(-c4cccc(CO1)c4)c3c2
COc1ncc-2cc1COC(=O)NCC[C@@H](C)Oc1ccc3[nH]nc-2c3c1 |r|
C[C@@H]1CCNC(=O)OCc2cc(c[nH]c2=O)-c2n[nH]c3ccc(O1)cc23 |r|
Cn1nc-2cc1CCOC(=O)NCCCOc1ccc3[nH]nc-2c3c1
C[C@@H]1CCNC(=O)OCc2cccc(n2)-c2n[nH]c3cc(F)c(O1)cc23 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4csc(CO1)n4)c3c2
C[C@@H]1CCNC(=O)OCc2nc(C)cc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4cnc(CCO1)s4)c3c2
C[C@@H]1CCNC(=O)O[C@@H](C)c2cccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCCn2cc(cc2C#N)-c2n[nH]c3ccc(O1)cc23 |r|
FC1(F)CNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(OC1)cc23
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3c(F)cc(O1)cc23 |r|
C[C@@H]1CCNC(=O)O[C@@H](C)c2cncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)O[C@H](C)c2cncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@H]1CCNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)nc23 |r|
C[C@@H]1CCNC(=O)OCc2nc(cn2C)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCCn2ncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCCc2ncc(s2)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCCc2nc(cn2C)-c2n[nH]c3ccc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cnc(O1)cc23 |r|
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cnc(cc23)N1C |r|
C[C@@H]1CCNC(=O)OCc2cncc(c2)-c2n[nH]c3ccc(O1)nc23 |r|
C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ncc(O1)cc23 |r|
O=C1NCCCOc2ccc3[nH]nc(-c4cnn(CCO1)n4)c3c2
FC1(F)CNC(=O)OCCn2ncc(n2)-c2n[nH]c3ccc(OC1)cc23
F[C@@H]1CNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(OC1)cc23 |r|
F[C@H]1CNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(OC1)cc23 |r|
FC1(F)CNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(OC1)cc23
F[C@H]1CNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(OC1)cc23 |r|
F[C@@H]1CNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(OC1)cc23 |r|
F[C@H]1CNC(=O)OCCn2ncc(n2)-c2n[nH]c3ccc(OC1)cc23 |r|
F[C@@H]1CNC(=O)OCCn2ncc(n2)-c2n[nH]c3ccc(OC1)cc23 |r|
O=C1NCCC2(CC2)Oc2ccc3[nH]nc(-c4cccc(CO1)c4)c3c2
O=C(Nc1nc2ccccc2s1)c1ccc(cc1)N1CCOCC1
COc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
FC(F)(F)c1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
Cc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
Clc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
Fc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
CCOc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
Brc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
CCCOc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
CC(C)Oc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
COc1ncccc1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34
CCOc1ncccc1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1C)c4n3
CCc1ncccc1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34
CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1OC)c4n3
COc1ncc(F)cc1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34
COc1nccc(C)c1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |(-5.73,.23,;-5.89,1.76,;-7.3,2.39,;-8.55,1.48,;-9.95,2.11,;-10.12,3.64,;-8.87,4.55,;-9.03,6.08,;-7.46,3.92,;-6.22,4.83,;-4.75,4.35,;-3.85,5.6,;-2.31,5.6,;-1.54,4.26,;-.05,3.86,;1.04,4.95,;1.44,6.44,;2.98,6.44,;3.45,7.91,;4.92,8.38,;2.21,8.81,;2.05,10.34,;.64,10.97,;-.61,10.06,;-4.2,8.36,;-4.7,6.9,;-6.22,6.37,;-7.46,7.27,;-.44,8.53,;.96,7.91,)|
CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1C)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1ccc(C)nc1C)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cc(F)cnc1C)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cc(C)cnc1C)c4n3
COc1ncc(C)cc1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34
COc1nc(C)ccc1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1C(C)(F)F)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cc(F)c(C)nc1C)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1OC1CC1)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1C(F)(F)F)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1OCF)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1OC(F)F)c4n3
Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1-c1cccnc1OC(F)(F)F)c4n3
COc1nnccc1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34
COc1ncncc1-n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34
CNc1nc(Nc2ccc3cn[nH]c3c2)ncc1C(F)(F)F
CNc1nc(Nc2cc3[nH]ncc3cc2C)ncc1C(F)(F)F
CNc1nc(Nc2cc3[nH]ncc3cc2OC)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cn[nH]c3c2OC)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cn[nH]c3c2C)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)c3cn[nH]c3c2)ncc1C(F)(F)F
CNc1nc(Nc2ccc3c(Br)n[nH]c3c2)ncc1C(F)(F)F
CNc1nc(Nc2ccc3c(n[nH]c3c2)C#N)ncc1C(F)(F)F
CNc1nc(Nc2ccc3c(n[nH]c3c2)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2ccc3c(Br)nn(C)c3c2)ncc1C(F)(F)F
CNc1nc(Nc2ccc3c(nn(C)c3c2)C#N)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cnn(C)c3c2)ncc1C(F)(F)F
CNc1nc(Nc2cc3n(C)ncc3cc2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cnn(C)c3c2OC)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cnn(C)c3c2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cnn(CC#N)c3c2)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cn(C)nc3c2)ncc1C(F)(F)F
CNc1nc(Nc2cc3nn(C)cc3cc2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cn(C)nc3c2C)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cn(C)nc3c2OC)ncc1C(F)(F)F
CNc1nc(Nc2cccc3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2c(F)ccc3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2c(C)ccc3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(C)cc3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)cc3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(C)c3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(F)c3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(OC)c3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cccc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cccc3n(CC#N)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cccc3n(ncc23)C(C)(C)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cccc3n(ncc23)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cccc3n(ncc23)S(=O)(=O)C2CC2)ncc1C(F)(F)F
CNc1nc(Nc2cccc3nn(C)cc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(OC)c3nn(C)cc23)ncc1C(F)(F)F
CNc1nc(Nc2c(C)ccc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2c(OC)ccc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2c(F)ccc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2c(C)ccc3nn(C)cc23)ncc1C(F)(F)F
CNc1nc(Nc2c(OC)ccc3nn(C)cc23)ncc1C(F)(F)F
CNc1nc(Nc2c(F)ccc3nn(C)cc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)cc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(cc3n(C)ncc23)C(C)C)ncc1C(F)(F)F
CNc1nc(Nc2cc(cc3n(C)ncc23)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cc(C)cc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(\C=C\C(=O)N3CCOCC3)cc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(OC)c3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cccc3[nH]nc(C)c23)ncc1C(F)(F)F
CNc1nc(Nc2cc(cc3[nH]ncc23)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cc(CC#N)cc3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(CC#N)cc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(\C=C\C(=O)N3CCOCC3)cc3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(CCC(=O)N3CCOCC3)cc3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(CCC(=O)N3CCOCC3)cc3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(CC#N)c3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(\C=C\C(=O)N3CCOCC3)c3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(CCC(=O)N3CCOCC3)c3[nH]ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(CCC(=O)N3CCOCC3)c3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(\C(C)=C\C(=O)N3CCOCC3)c3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(C(C)CC(=O)N3CCOCC3)c3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3ccccc23)ncc1C(F)(F)F
CNc1nc(Nc2c(C)nn3ccccc23)ncc1C(F)(F)F
CNc1nc(Nc2c(C)[nH]c3ccccc23)ncc1C(F)(F)F
CNc1nc(Nc2c(C)n(C)c3ccccc23)ncc1C(F)(F)F
CNc1nc(Nc2c(C)nn3c(cccc23)C#N)ncc1C(F)(F)F
CNc1nc(Nc2c(C)[nH]c3c(cccc23)C#N)ncc1C(F)(F)F
CNc1nc(Nc2nn(C)c3ccccc23)ncc1C(F)(F)F
Cn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CCNc1nc(Nc2cccc3n(C)ncc23)ncc1C(F)(F)F
CCNc1nc(Nc2cccc3n(C)ncc23)ncc1Cl
Cn1ncc2c(Nc3ncc(Cl)c(NC4CC4)n3)cccc12
CNc1nc(Nc2ccc3[nH]ncc3c2)ncc1C(F)(F)F
CNc1nc(Nc2ccc3n(C)ncc3c2)ncc1C(F)(F)F
CNc1nc(Nc2ccc3nn(C)cc3c2)ncc1C(F)(F)F
CNc1nc(Nc2cccc3cn[nH]c23)ncc1C(F)(F)F
CNc1nc(Nc2cccc3cnn(C)c23)ncc1C(F)(F)F
CNc1nc(Nc2cccc3n(CCC(=O)N4CCOCC4)ncc23)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2cccc3n(ncc23)S(=O)(=O)C2CC2)nc1NC1CC1
CNc1nc(Nc2cccc3n(C)ncc23)ncc1Cl
CNc1nc(Nc2ccc(c3n(CC#N)ncc23)C(F)(F)F)ncc1C(F)(F)F
CNc1nc(Nc2ccc(C3=CCN(C)CC3)c3n(C)ncc23)ncc1C(F)(F)F |t:10|
CNc1nc(Nc2ccc(C3CCN(C)CC3)c3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(C3=CCOCC3)c3n(CC#N)ncc23)ncc1C(F)(F)F |t:10|
CNc1nc(Nc2ccc(OC(F)(F)F)c3n(CC#N)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(F)c3n(CC#N)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(C3=CCOCC3)c3n(C)ncc23)ncc1C(F)(F)F |t:10|
CNc1nc(Nc2ccc(C3=CCN(C)CC3)c3n(CC#N)ncc23)ncc1C(F)(F)F |t:10|
CNc1nc(Nc2ccc(C3CCOCC3)c3n(C)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(C3CCOCC3)c3n(CC#N)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(cc3n(CC#N)ncc23)C(F)(F)F)ncc1C(F)(F)F
CNc1nc(Nc2cc(F)cc3n(CC#N)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc(Cl)cc3n(CC#N)ncc23)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2cccc3n(CC#N)ncc23)nc1NC1CC1
CNc1nc(Nc2cccc3n(CC(F)F)ncc23)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2cccc3n(CC#N)ncc23)nc1NC1CCCC1
FC(F)(F)c1cnc(Nc2cccc3n(CC#N)ncc23)nc1NC1CC(F)(F)C1
CNc1nc(Nc2cccc3n(CC(C)(C)O)ncc23)ncc1C(F)(F)F
CCn1ncc2c(Nc3ncc(c(NC)n3)C(F)(F)F)cccc12
CCn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CNc1nc(Nc2ccc(C3=CCN(C)CC3)c3n(CC(N)=O)ncc23)ncc1C(F)(F)F |t:10|
CNc1nc(Nc2cccc3n(ncc23)S(C)(=O)=O)ncc1C(F)(F)F
CS(=O)(=O)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CC(C)(C#N)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
FC(F)(F)c1cnc(Nc2cccc3n(CC#N)ncc23)nc1NCC1CC1
CC1(CC1)Nc1nc(Nc2cccc3n(CC#N)ncc23)ncc1C(F)(F)F
FC(F)(F)CNc1nc(Nc2cccc3n(CC#N)ncc23)ncc1C(F)(F)F
CN(C)c1nc(Nc2cccc3n(CC#N)ncc23)ncc1C(F)(F)F
CC(C)Nc1nc(Nc2cccc3n(ncc23)C(C)(C)C#N)ncc1C(F)(F)F
CNc1nc(Nc2ccc(C3CCN(C)CC3)c3n(CC#N)ncc23)ncc1C(F)(F)F
CC(C)Nc1nc(Nc2cccc3n(CC#N)ncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc(Cl)c3n(CC#N)ncc23)ncc1C(F)(F)F
CC(C)(C#N)n1ncc2c(Nc3ncc(c(NCC(F)(F)F)n3)C(F)(F)F)cccc12
CC(C)(C#N)n1ncc2c(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)cccc12
CNc1nc(Nc2cc3[nH]ncc3cc2F)ncc1C(F)(F)F
CNc1nc(Nc2ccnc3ccnn23)ncc1C(F)(F)F
CNc1nc(Nc2cc3[nH]ncc3cc2Cl)ncc1C(F)(F)F
CNc1nc(Nc2ncn3ccccc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn3ccc(cc23)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cnn3cc(ccc23)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cc3[nH]ncc3cc2C=C)ncc1C(F)(F)F
CNc1nc(Nc2cccc3nccn23)ncc1C(F)(F)F
CCc1cc2cn[nH]c2cc1Nc1ncc(c(NC)n1)C(F)(F)F
CNc1nc(Nc2cc3[nH]ncc3cc2C(F)(F)F)ncc1C(F)(F)F
CNc1nc(Nc2cccc3nncn23)ncc1C(F)(F)F
CNc1nc(Nc2cn(C)c3ncncc23)ncc1C(F)(F)F
CNc1nc(Nc2ccc3cnccn23)ncc1C(F)(F)F
CNc1nc(Nc2cccc3NC(=O)Cc23)ncc1C(F)(F)F
CNc1cc(Nc2nn(C)c3ncncc23)ncc1C(F)(F)F
CNc1nc(Nc2cc3[nH]ncc3cc2OC(F)(F)F)ncc1C(F)(F)F
CNc1nc(Nc2cccn3cncc23)ncc1C(F)(F)F
CNc1nc(Nc2cn(CC#N)c3cnccc23)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2cccc3n(ncc23)S(=O)(=O)C2CC2)nc1C1CC1
COCCn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
FC(F)Cn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CC(C)S(=O)(=O)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
COCCS(=O)(=O)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
FCCNc1nc(Nc2cccc3n(ncc23)S(=O)(=O)C2CC2)ncc1C(F)(F)F
CS(=O)(=O)CCNc1nc(Nc2cccc3n(ncc23)S(=O)(=O)C2CC2)ncc1C(F)(F)F
CS(=O)(=O)CCn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
COCCn1ncc2c(Nc3ncc(c(NC(C)C)n3)C(F)(F)F)cccc12
OCCNc1nc(Nc2cccc3n(CC(F)F)ncc23)ncc1C(F)(F)F
FCCNc1nc(Nc2cccc3n(CC(F)F)ncc23)ncc1C(F)(F)F
CCS(=O)(=O)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CC(C)(C#N)n1ncc2c(Nc3ncc(c(NCCF)n3)C(F)(F)F)cccc12
COCCNc1nc(Nc2cccc3n(ncc23)S(=O)(=O)C2CC2)ncc1C(F)(F)F
CC(C)(O)Cn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CCNc1nc(Nc2cccc3n(CC(F)F)ncc23)nc2[nH]cc(Cl)c12
CS(=O)(=O)n1ncc2c(Nc3ncc(c(N[C@@H]4CCOC4)n3)C(F)(F)F)cccc12 |r|
CS(=O)(=O)n1ncc2c(Nc3ncc(c(N[C@H]4CCOC4)n3)C(F)(F)F)cccc12 |r|
CS(=O)(=O)n1ncc2c(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)cccc12
CCNc1nc(Nc2cccc3n(ncc23)S(C)(=O)=O)nc2[nH]cc(Cl)c12
CCNc1nc(Nc2cccc3n(ncc23)S(C)(=O)=O)ncc1Cl
Fc1ccc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)c2cnn(c12)S(=O)(=O)C1CC1
CCNc1nc(Nc2cccc3n(ncc23)C(C)(C)C#N)ncc1C(F)(F)F
COCCNc1nc(Nc2cccc3n(ncc23)C(C)(C)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2cccc3n(ncc23)C(C)(C)C#N)nc2[nH]cc(Cl)c12
CC(C)(C#N)n1ncc2c(Nc3ncc(c(NC4CC(O)C4)n3)C(F)(F)F)cccc12 |(-6.67,-4.22,;-6.27,-2.73,;-7.6,-3.5,;-6.75,-1.27,;-7.22,.19,;-4.76,-3.05,;-4.14,-4.46,;-2.61,-4.3,;-2.28,-2.79,;-.95,-2.02,;.38,-2.79,;1.72,-2.02,;3.05,-2.79,;4.38,-2.02,;4.43,-.45,;3.05,.29,;3.05,1.83,;4.38,2.6,;5.87,2.2,;6.27,3.69,;7.6,4.46,;4.78,4.09,;1.72,-.48,;5.77,.32,;7.1,1.09,;5,1.65,;6.54,-1.02,;-.95,-.48,;-2.28,.29,;-3.62,-.48,;-3.62,-2.02,)|
CCOc1nc(Nc2cccc3n(ncc23)S(C)(=O)=O)nc2[nH]cc(Cl)c12
FC(F)(F)c1cnc(Nc2ccnc3n(ncc23)S(=O)(=O)C2CC2)nc1NC1CC1
FC(F)(F)c1cnc(Nc2ccc3OCCCn4ncc2c34)nc1NC1CC1
CNc1nc(Nc2ccc3OCCCn4ncc2c34)ncc1C(F)(F)F
CCOc1nc(Nc2cccc3n(ncc23)C(C)(C)C#N)nc2[nH]cc(Cl)c12
CS(=O)(=O)CCn1ncc2c(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)cccc12
CCNc1nc(Nc2cccc3n(CC(C)(C)O)ncc23)ncc1C(F)(F)F
CCOc1nc(Nc2cccc3n(CC(F)F)ncc23)nc2[nH]cc(Cl)c12
C[C@]1(CCOC1=O)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12 |r|
C[C@@]1(CCOC1=O)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12 |r|
FC(F)(F)c1cnc(Nc2cccc3n(CC4CC4)ncc23)nc1NC1CC1
CC(C)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
FC(F)(F)c1cnc(Nc2cccc3n(CCS(=O)(=O)C4CC4)ncc23)nc1NC1CC1
CCS(=O)(=O)CCn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CC(C)(O)Cn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)ccc(F)c12
CC(C)(O)Cn1ncc2c(Nc3ncc(C(F)F)c(NC4CC4)n3)cccc12
Cc1ccc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)c2cnn(CCS(C)(=O)=O)c12
CC(C)(O)Cn1ncc2c(Nc3ncc(C(F)F)c(NC4CC4)n3)ccc(F)c12
CCNc1nc(Cc2cccc3n(CC(C)(C)O)ncc23)nc2[nH]cc(Cl)c12
CS(=O)(=O)CCn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)ccc(F)c12
CNc1nc(Nc2ccc3OCCn4ncc2c34)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2ccc3OCCn4ncc2c34)nc1NC1CC1
CC(C)Nc1nc(Nc2ccc3OCCn4ncc2c34)ncc1C(F)(F)F
CCNc1nc(Nc2ccc(F)c3n(CC(C)(C)O)ncc23)nc2[nH]nc(Cl)c12
Cc1n[nH]c2nc(Nc3cccc4n(CCS(C)(=O)=O)ncc34)nc(NC3CC3)c12
CNc1nc(Nc2cccc3n(CC(C)(C)O)ncc23)nc2[nH]nc(Cl)c12
CNc1nc(Nc2cccc3n(CC(C)(C)O)ncc23)nc2[nH]cnc12
CCNc1nc(Nc2cccc3n(CC(F)F)ncc23)nc2[nH]nc(C)c12
CCNc1nc(Nc2cccc3n(CCS(C)(=O)=O)ncc23)ncc1C(F)(F)F
CS(=O)(=O)CCn1ncc2c(Nc3ncc(c(NCC4CC4)n3)C(F)(F)F)cccc12
CNc1nc(Nc2cccc3n(CCS(C)(=O)=O)ncc23)ncc1C(F)(F)F
CC(C)(C#N)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)ccnc12
FC(F)(F)c1cnc(Nc2cccc3n(ncc23)C2CC2)nc1NC1CC1
CC1(CC1)Nc1nc(Nc2cccc3n(CCS(C)(=O)=O)ncc23)ncc1C(F)(F)F
CS(=O)(=O)CCn1ncc2c(Nc3ncc(C(F)F)c(NC4CC4)n3)cccc12
FC(F)(F)c1cnc(Nc2cccc3n(CCN4CCOCC4)ncc23)nc1NC1CC1
CC(C)S(=O)(=O)CCn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CC(C)(CS(C)(=O)=O)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
CC(C)(C)n1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12
FC(F)(F)c1cnc(Nc2cccc3n(CC4COC4)ncc23)nc1NC1CC1
CS(=O)(=O)CCn1ncc2c(Nc3ncc(c(NC4C[C@H]4F)n3)C(F)(F)F)cccc12 |r|
CS(=O)(=O)CCn1ncc2c(Nc3ncc(c(NC4C[C@@H]4F)n3)C(F)(F)F)cccc12 |r|
CC(C)(Cn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cccc12)C#N
CC(C)(O)Cn1ncc2c(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)ccnc12
CNc1nc(Nc2cccc3n(ncc23)C(C)(C)C#N)nc2[nH]cnc12
CS(=O)(=O)CCn1ncc2c(Nc3nc(NC4CC4)c4c(Cl)c[nH]c4n3)cccc12
Cc1n[nH]c2nc(Nc3cccc4n(CC(C)(C)O)ncc34)nc(NC3CC3)c12
CCNc1nc(Nc2ccc(F)c3n(CC(C)(C)O)ncc23)nc2[nH]nc(C)c12
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-c1cn[nH]c1
COc1nn(CC(F)(F)F)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
Cc1nn(cc1NC(=O)c1csc(n1)-c1cn[nH]c1)C1CCC1
CNC(=O)c1nn(C)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
Cc1nn(cc1NC(=O)c1csc(n1)-c1cn[nH]c1)C(F)F
O=C(Nc1cn(nc1C1CC1)C1CC1)c1csc(n1)-c1cn[nH]c1
CC(C)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(OCC(F)(F)F)n1
O=C(Nc1cnn(c1)-c1ccncc1)c1csc(n1)-c1cn[nH]c1
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)-c1ccncc1
CCn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C#N
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)-c1ccc(F)cc1
CCn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)-c1nnc2CCCCn12
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(N)=O
COc1nn(C)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
CC(C)Oc1nn(C)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
CC(C)(C)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
O=C(Nc1cnn(c1)C1CC1)c1coc(n1)-c1cn[nH]c1
COC(=O)c1nn(C)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
CC(C)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
O=C(Nc1cnn(c1)-c1ccncc1)c1coc(n1)-c1cn[nH]c1
COc1nn(cc1NC(=O)c1csc(n1)-c1cn[nH]c1)C1CCC1
Cc1nn(cc1NC(=O)c1csc(n1)-c1cn[nH]c1)C(C1CC1)C1CC1
O=C(Nc1cnn(c1)-c1ccccc1)c1csc(n1)-c1cn[nH]c1
O=C(Nc1cnn(c1)C1CC1)c1csc(n1)-c1cn[nH]c1
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(OCC(F)F)n1
CSCC1(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CCC1
COc1nn(Cc2nnc3CCCCCn23)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
COCC1(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CCC1
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(Oc2ccccc2)n1
Cn1cc(cn1)-c1nn(C)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
CC1(C)CC(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)C1
O=C(Nc1cnn(c1)C1CCC1)c1coc(n1)-c1cn[nH]c1
CC1(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CCC1
FC1(F)CC(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)C1
CN(C)C(=O)c1nn(C)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
COc1nn(cc1NC(=O)c1csc(n1)-c1cn[nH]c1)C1CC1
FC(F)c1nn(cc1NC(=O)c1csc(n1)-c1cn[nH]c1)C1CC1
CC(C)n1cc(NC(=O)c2coc(n2)-c2cn[nH]c2)cn1
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)(F)F
Cc1nn(C)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C1CC1
FC1(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CCC1
CS(=O)(=O)CC1(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CCC1
Fc1ccc(Cn2cc(NC(=O)c3coc(n3)-c3cn[nH]c3)cn2)cc1
CC(C)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(OCC(F)F)n1
C[C@@H](C1CC1)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1 |r|
C[C@H](C1CC1)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1 |r|
CC(C1CC1)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(C)n1
CC(C1CC1)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
O=C(Nc1cn(nc1C1CC1)C1CCC1)c1csc(n1)-c1cn[nH]c1
O=C(Nc1cnn(C2CCC2)c1C1CC1)c1csc(n1)-c1cn[nH]c1
CC(C1CC1)n1ncc(NC(=O)c2csc(n2)-c2cn[nH]c2)c1C(F)F
FC(F)(F)Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cnn(c1)C1CC1
Cc1nc(ccc1C#N)C(=O)Nc1cnn(c1)C1CCC1
CC(C)Nc1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(c1)C1CCC1)c1coc(n1)-c1ccccc1
CSc1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
CC(C)Oc1cccc(n1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(c1)C1CCC1)c1ccn(n1)-c1ccccc1
CC(=O)Nc1cccc(n1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-c1ccccc1
COc1cccc(n1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(c1)C1CCC1)c1ccn(n1)-c1ncccn1
CC(=O)Nc1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(c1)C1CCC1)c1cccc(n1)-n1cccn1
O=C(Nc1cnn(c1)C1CCC1)c1csc(Nc2ccccc2)n1
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
O=C(Nc1cnn(c1)C1CCC1)c1cccc(n1)N1CCCC1
O=C(Nc1cnn(c1)C1CCC1)c1cccc(n1)-n1ccnc1
O=C(Nc1cnn(c1)C1CCC1)c1cccc(n1)N1CCCCC1
FC1(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)COC1
Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(CO)n1
O=C(Nc1cnn(CC2CCC2)c1)c1csc(n1)-c1cn[nH]c1
FC(F)Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
COCCn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
O=C(Nc1cnn(CC2CCNCC2)c1)c1csc(n1)-c1cn[nH]c1
FC(F)c1nn(CC2CCCCO2)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
CN(C)CCCn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
FC(F)c1nn(CC2CCOCC2)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
FC1(F)CCC(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CC1
FCCn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
O=C(Nc1cnn(c1)C1CCOCC1)c1csc(n1)-c1cn[nH]c1
FC(F)c1nn(CC2CCC2)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
FC(F)c1nn(CC2CCCO2)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
O=C(Nc1cnn(CC2CCCO2)c1)c1csc(n1)-c1cn[nH]c1
COc1nn(CC2CC2)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
O=C(Nc1cnn(CCN2CCNCC2)c1)c1csc(n1)-c1cn[nH]c1
COc1nn(CC2CCOCC2)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
Fc1ccc(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)cc1
CC(C)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
COc1nn(CC2CCC2)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
COc1nn(CC(F)F)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
COCCn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(OC)n1
COCCn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
CC(C)Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
O=C(Nc1cnn(Cc2ccncc2)c1)c1csc(n1)-c1cn[nH]c1
COc1nn(CC2(CC2)C#N)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
O=C(Nc1cnn(C[C@H]2CCNC2)c1)c1csc(n1)-c1cn[nH]c1 |r|
FC(F)c1nn(CC#N)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
O=C(Nc1cnn(CC2(CCNCC2)C#N)c1)c1csc(n1)-c1cn[nH]c1
FC(F)c1nn(CC2CC2(F)F)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
O=C(Nc1cnn(C[C@@H]2CCNC2)c1)c1csc(n1)-c1cn[nH]c1 |r|
CC(C#N)n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
O=C(Nc1cnn(CCC2CCNCC2)c1)c1csc(n1)-c1cn[nH]c1
FC(F)c1nn(CC2CC2)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
CN1CCN(CCCn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CC1
N[C@H]1CC[C@](F)(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CC1 |r,wU:1.0,4.4,wD:4.5,(-2.67,8.38,;-3.07,6.9,;-1.98,5.81,;-2.38,4.32,;-3.87,3.92,;-3.1,2.59,;-4.64,2.59,;-3.87,1.25,;-2.41,.78,;-2.41,-.76,;-1.32,-1.85,;.17,-1.45,;.57,.03,;1.26,-2.54,;2.72,-2.07,;3.63,-3.31,;2.72,-4.56,;1.26,-4.08,;3.49,-5.89,;4.96,-6.37,;4.96,-7.91,;3.49,-8.38,;2.59,-7.14,;-3.87,-1.24,;-4.78,.01,;-4.96,5.01,;-4.56,6.5,)|
NCC1CCC(F)(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)cn2)CC1 |(-3.76,8.93,;-2.67,7.84,;-3.07,6.35,;-4.56,5.95,;-4.96,4.47,;-3.87,3.38,;-3.1,2.04,;-4.64,2.04,;-3.87,.71,;-2.41,.23,;-2.41,-1.31,;-1.32,-2.4,;.17,-2,;.57,-.51,;1.26,-3.09,;2.72,-2.61,;3.63,-3.86,;2.72,-5.1,;1.26,-4.63,;3.49,-6.44,;4.96,-6.91,;4.96,-8.45,;3.49,-8.93,;2.59,-7.68,;-3.87,-1.78,;-4.78,-.54,;-2.38,3.77,;-1.98,5.26,)|
O=C(Nc1cnn(CC2CCC(CC2)C#N)c1)c1csc(n1)-c1cn[nH]c1 |(.48,.13,;.08,-1.35,;-1.41,-1.75,;-2.5,-.66,;-3.96,-1.14,;-4.87,.11,;-3.96,1.35,;-4.36,2.84,;-3.27,3.93,;-3.67,5.42,;-2.58,6.51,;-1.09,6.11,;-.7,4.62,;-1.78,3.53,;-0,7.2,;1.08,8.28,;-2.5,.88,;1.17,-2.44,;2.63,-1.97,;3.54,-3.21,;2.63,-4.46,;1.17,-3.98,;3.4,-5.79,;2.5,-7.04,;3.4,-8.28,;4.87,-7.81,;4.87,-6.27,)|
O=C(Nc1cnn(CC2CC2)c1)c1csc(n1)-c1cn[nH]c1
COc1nn(CC2CC2(F)F)cc1NC(=O)c1csc(n1)-c1cn[nH]c1
CCOCCn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)c(n1)C(F)F
CC(C)Cn1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
CC1(Cn2cc(NC(=O)c3csc(n3)-c3cn[nH]c3)c(n2)C(F)F)COC1
O=C(Nc1cnn(CC2C3CCC2CNC3)c1)c1csc(n1)-c1cn[nH]c1 |TLB:7:8:13.14.15:10.11|
Cc1cc(ccn1)-n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
Cc1cnccc1-n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
CC(C)c1cc(ccn1)-n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
Cc1cc(cc(C)n1)-n1cc(NC(=O)c2csc(n2)-c2cn[nH]c2)cn1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cncnc1
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-c1cnn2CCCc12
CCn1cc(cn1)-c1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1ccoc1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cnn(Cc2ccncc2)c1
CC1COc2c(cnn2C1)-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cnn(Cc2ccccn2)c1
Cn1cnc(c1)-c1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cnn2CCOCc12
Fc1ccc(c(F)c1)-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
COCCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cnn2CCCCc12
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-c1cc[nH]n1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cnsc1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1ccncc1
FC(F)n1cc(cn1)-c1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
Cc1[nH]ncc1-c1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1ccnnc1
Cn1nccc1-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-c1cnn2CCCOc12
Cn1ccc(n1)-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
Cn1cc(cn1)-c1nccc(n1)C(=O)Nc1cnn(c1)C1CCC1
Fc1ncccc1-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
Cc1n[nH]c(C)c1-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-c1cnn2CCCCc12
Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cccc(c1)C#N
COc1ccncc1-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1csc2ccccc12
Cn1ccc(c1)-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
FC(F)n1cc(cn1)-c1cccc(n1)C(=O)Nc1cnn(CC2CCC2)c1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cccnc1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cnn(CCN2CCOCC2)c1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)-c1cnn(Cc2cccnc2)c1
Cn1cc(cn1)-c1cncc(n1)C(=O)Nc1cnn(c1)C1CCC1
Cn1cc(cn1)-c1cccc(C(=O)Nc2cnn(c2)C2CCC2)c1F
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-c1cccnc1
O=C(Nc1cnn(c1)C1CC1)c1csc(n1)-c1ccn[nH]1
O=C(Nc1cnn(CC2CCC2)c1)c1cccc(n1)C1(CC1)C#N
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-n1cccc1
O=C(Nc1cnn(c1)C1CCC1)c1csc(n1)-n1ccnc1
Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cnn(CC2CCC2)c1
Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cn(nc1C1CC1)C1CCC1
Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cn(nc1C1CC1)C1CC1
CCn1cc(cn1)-c1nc(cs1)C(=O)Nc1cn(CC(F)(F)F)nc1OC
Cc1nn(cc1NC(=O)c1csc(n1)-c1cnn(C)c1)C1CCC1
COc1nn(CC(F)(F)F)cc1NC(=O)c1csc(n1)-c1cnn(C)c1
COc1nn(CC(F)(F)F)cc1NC(=O)c1csc(n1)-c1cnn(c1)S(C)(=O)=O
N#CC1(CC11CC1)c1ccc2cnn(-c3cnn(c3)-c3ccccc3)c2c1
N#CC1(CC11CC1)c1ccc2cnn(-c3cnn(c3)C3COC3)c2c1
N#CC1(CC11CC1)c1ccc2cnn(-c3cn(cn3)-c3ccccc3)c2c1
Cn1ccc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N
Cc1cnc(o1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N
Cc1cc(sn1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N
Cc1nc(cs1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N
Clc1cc2cnn(-c3cnn(c3)C3COC3)c2cc1C1CCN(CC1)C1COC1
Cn1ccc(n1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1
FC(F)(F)n1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1
Cc1cnc(o1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1
CCn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1
Clc1cc2cnn(-c3cnn(c3)C3CCC3)c2cc1C1CCN(CC1)C1COC1
Cc1cnc(s1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1
Clc1cc2cnn(-c3csc(n3)N3CCCC3=O)c2cc1C1CCN(CC1)C1COC1
Cn1cc(nn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1
COC(=O)n1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1
CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C1CC1
CCn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)COC1
CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C(F)F
Cc1cnc(o1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)COC1
CC1(CC1)n1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)COC1
Cc1nnc(o1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)COC1
CNC(=O)C12CC(C1)(C2)n1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)COC1
CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(CF)(C1)C2
CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(C1)(C2)C#N
CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(C1)C2
CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(CCF)c1
CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(CC(F)(F)F)c1
CC(C)n1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)COC1
CCCn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)COC1
Cn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)CCOC1
Cn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CCO)CC1
Cn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)S(C)(=O)=O
Cn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC(F)(F)F)CC1
COCCN1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(C)c1
CN1CC[C@@H]([C@@H](F)C1)c1cc2n(ncc2cc1Cl)-c1cc(C)ns1 |r|
CN1CC[C@H]([C@H](F)C1)c1cc2n(ncc2cc1Cl)-c1cc(C)ns1 |r|
c1cc(-c2cnn3ccccc23)nc(C2CCNCC2)c1
CN1CCC(c2cccc(-c3cnn4ccccc34)n2)CC1
c1cc(-c2cnn3ccccc23)nc(C2CCNC2)c1
Clc1ccn2ncc(-c3cccc(C4CCNC4)n3)c2c1
Clc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
Clc1ccn2ncc(-c3cccc([C@H]4CCCNC4)n3)c2c1
Clc1ccn2ncc(-c3cccc([C@H]4CCCNC4)n3)c2c1
Brc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
Cc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
Cc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
COc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
Oc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
CC(C)Oc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
c1cc(-c2cnn3ccc(OCC4CC4)cc23)nc(C2CCCNC2)c1
c1cc(-c2cnn3ccc(OCC4COC4)cc23)nc(C2CCCNC2)c1
c1cc(-c2cnn3ccc(N4CCOCC4)cc23)nc(C2CCCNC2)c1
N#Cc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
c1cc(-c2cnn3ccc(C4CC4)cc23)nc(C2CCCNC2)c1
Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
CNc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
CCCc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
CS(=O)(=O)NCCC(=O)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
CS(=O)(=O)NCCC(=O)Nc1ccc2c(-c3cccc(C4CCCNC4)n3)cnn2c1
CS(=O)(=O)NCCNC(=O)c1ccc2c(-c3cccc(C4CCCNC4)n3)cnn2c1
CS(=O)(=O)NCC(=O)N1CCCC(c2cccc(-c3cnn4ccccc34)n2)C1
CS(=O)(=O)N1CCCC(c2cccc(-c3cnn4ccccc34)n2)C1
OCc1cc(-c2cnn3ccccc23)nc(C2CCCNC2)c1
Clc1cc(-c2cnn3ccccc23)nc(C2CCCNC2)c1
Clc1ccc(-c2cnn3ccccc23)nc1C1CCCNC1
Clc1ccc(C2CCCNC2)nc1-c1cnn2ccccc12
Fc1cc(-c2cnn3ccccc23)nc(C2CCCNC2)c1
Fc1ccc(C2CCCNC2)nc1-c1cnn2ccccc12
Fc1ccc(-c2cnn3ccccc23)nc1C1CCCNC1
Clc1cc(-c2cnn3ccc(Cl)cc23)nc(C2CCCNC2)c1
Fc1cc(-c2cnn3ccc(Cl)cc23)nc(C2CCCNC2)c1
Cc1ccn2ncc(-c3cc(Cl)cc(C4CCCNC4)n3)c2c1
c1cc(-c2cnn3ccccc23)nc(N2CCNCC2)c1
CCc1ccn2ncc(-c3cccc(N4CCNCC4)n3)c2c1
CCc1ccn2ncc(-c3cc(Cl)cc(N4CCNCC4)n3)c2c1
Cc1ccn2ncc(-c3cccc(N4CCNCC4)n3)c2c1
Cc1ccn2ncc(-c3cc(Cl)cc(N4CCNCC4)n3)c2c1
Clc1ccn2ncc(-c3cccc(N4CCNCC4)n3)c2c1
Clc1cc(-c2cnn3ccc(Cl)cc23)nc(N2CCNCC2)c1
Fc1cc(-c2cnn3ccc(Cl)cc23)nc(N2CCNCC2)c1
c1cc(-c2cnn3ccccc23)nc(N2CC3CC(C2)N3)c1
Clc1ccn2ncc(-c3cccc(N4CC5CC(C4)N5)n3)c2c1
Clc1cc(-c2cnn3ccc(Cl)cc23)nc(N2CC3CC(C2)N3)c1
c1cc(-c2cnn3ccccc23)nc(N2CC3CCC2CN3)c1
C[C@@H]1CN(c2cccc(-c3cnn4ccccc34)n2)C[C@H](C)N1
C[C@@H]1CN(c2cccc(-c3cnn4ccccc34)n2)C[C@@H](C)N1
C[C@@H]1CN(c2cc(Cl)cc(-c3cnn4ccccc34)n2)C[C@H](C)N1
C[C@@H]1CN(c2cc(F)cc(-c3cnn4ccccc34)n2)C[C@H](C)N1
CCc1ccn2ncc(-c3cccc(N4C[C@@H](C)N[C@@H](C)C4)n3)c2c1
CCc1ccn2ncc(-c3cc(Cl)cc(N4C[C@@H](C)N[C@@H](C)C4)n3)c2c1
Cc1ccn2ncc(-c3cccc(N4C[C@@H](C)N[C@@H](C)C4)n3)c2c1
Cc1ccn2ncc(-c3cc(Cl)cc(N4C[C@@H](C)N[C@@H](C)C4)n3)c2c1
C[C@@H]1CN(c2cccc(-c3cnn4ccc(Cl)cc34)n2)C[C@H](C)N1
C[C@@H]1CN(c2cc(F)cc(-c3cnn4ccc(Cl)cc34)n2)C[C@H](C)N1
C[C@@H]1CN(c2cc(Cl)cc(-c3cnn4ccc(Cl)cc34)n2)C[C@H](C)N1
C[C@@H]1CN(c2nc(-c3cnn4ccc(Cl)cc34)ccc2Cl)C[C@H](C)N1
C[C@@H]1CN(c2nc(-c3cnn4ccc(Cl)cc34)ccc2F)C[C@H](C)N1
CCc1ccn2ncc(-c3cc(Cl)cc(C4CCCNC4)n3)c2c1
C[C@@H]1CN(c2ccc(Cl)c(-c3cnn4ccc(Cl)cc34)n2)C[C@H](C)N1
C[C@@H]1CN(c2ccc(F)c(-c3cnn4ccc(Cl)cc34)n2)C[C@H](C)N1
CC(C)Oc1ccn2ncc(-c3cc(Cl)cc(C4CCCNC4)n3)c2c1
CC1(C)CN(c2cccc(-c3cnn4ccc(Cl)cc34)n2)CC(C)(C)N1
CS(=O)(=O)CC(=O)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
CS(=O)(=O)NCC(=O)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
C[C@@H]1CN(c2cccc(-c3cnn4ccccc34)n2)CCN1
C[C@H]1CN(c2cccc(-c3cnn4ccccc34)n2)CCN1
C[C@@H]1CN(c2cccc(-c3cnn4ccc(Cl)cc34)n2)C[C@H](C)N1C
O=C(Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1)c1ccccn1
O=C(COc1ccccn1)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
N#CCCC(=O)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
N#CCCCC(=O)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
O=C(COc1ccncc1)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
O=C(COc1ccncc1)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
O=C(Cc1cccnc1)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
O=C(CNc1ccncc1)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
O=C(CNc1cccnc1)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
O=C(Cc1ccccn1)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
Cn1cc(-n2ncc3cc(Cl)c(N4CCN(C5COC5)CC4)cc32)cn1
Cn1cc(-n2ncc3cc(Cl)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
CC1CN(c2cc3c(cnn3-c3cnn(C)c3)cc2Cl)CCN1C1COC1
C[C@H]1CN(C2COC2)CCN1c1cc2c(cnn2-c2cnn(C)c2)cc1Cl
C[C@@H]1CN(C2COC2)CCN1c1cc2c(cnn2-c2cnn(C)c2)cc1Cl
Cn1cc(-n2ncc3cc(Cl)c(N4CC5CCC4CN5C4COC4)cc32)cn1
Cn1cc(-n2ncc3cc(Cl)c(N4CCCN(C5(C)COC5)CC4)cc32)cn1
CCC1(N2CCN(c3cc4c(cnn4-c4cnn(C)c4)cc3Cl)CC2)COC1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CC(C1)N2C1COC1
Cn1cc(-n2ncc3cc(Br)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
Cc1cc2cnn(-c3cnn(C)c3)c2cc1N1CCN(C2(C)COC2)CC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC1
C[C@H]1CN(C2(C)COC2)CCN1c1cc2c(cnn2-c2cnn(C3CC3)c2)cc1Cl
C[C@@H]1CN(C2(C)COC2)CCN1c1cc2c(cnn2-c2cnn(C3CC3)c2)cc1Cl
C[C@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCOC1
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCOC1
N#CCCN1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
O=S1(=O)CC(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
[2H]C1([2H])OC([2H])([2H])C1(C)N1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)[C@@H]3CC[C@@H]32)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)[C@H]3CC[C@H]32)COC1
O[C@@H]1CCC1N1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
O[C@H]1CCC1N1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
O=S1(=O)CCC(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCS(=O)(=O)C1
C[C@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCS(=O)(=O)C1
CNC(=O)n1cc(-n2ncc3cc(Cl)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
CCNC(=O)n1cc(-n2ncc3cc(Cl)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC(F)C5)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(CC(F)(F)F)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(-c5ncc(F)cn5)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC(F)C5)c4)cc3Cl)CC2)COC1
CN1CCC(n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)C1=O
CO[C@H]1C[C@H](n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)C1
CO[C@H]1C[C@@H](n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)C1
COC1CCC(n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)C1
CC(C)(O)[C@H]1C[C@@H]1n1cc(-n2ncc3cc(Cl)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
CC(C)(O)[C@@H]1C[C@H]1n1cc(-n2ncc3cc(Cl)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
CC(=O)NC[C@H]1C[C@@H]1n1cc(-n2ncc3cc(Cl)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
CC(=O)NC[C@@H]1C[C@H]1n1cc(-n2ncc3cc(Cl)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
CNC(=O)[C@H]1C[C@@H](n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)C1
CNC(=O)[C@H]1C[C@H](n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)C1
COC[C@H]1C[C@@H](n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)C1
COC[C@H]1C[C@H](n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)C1
CC1(N2CCN(c3cc4c(cnn4-c4cnn([C@@H]5C[C@H]5C#N)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn([C@H]5C[C@@H]5C#N)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(-c5ncc(F)c(C(F)F)n5)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(-c5ncc(OC(F)F)cn5)c4)cc3Cl)CC2)COC1
CN(C)c1nc(-n2cc(-n3ncc4cc(Cl)c(N5CCN(C6(C)COC6)CC5)cc43)cn2)ncc1F
CC1(N2CCN(c3cc4c(cnn4-c4cnn(-c5ncc(F)c(C6CC6)n5)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(-c5ncc(C(F)(F)F)cn5)c4)cc3Cl)CC2)COC1
CC1(O)CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCN2CCOC[C@@H]2C1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCN2CCOC[C@H]2C1
CN1C[C@H]2COC[C@@H](C1)N2c1cc2c(cnn2-c2cnn(C3CC3)c2)cc1Cl
CN1C[C@H]2COC[C@@H](C1)N2c1cc2c(cnn2-c2cnn(C3CC3)c2)cc1Cl
CN1C6COCC1CN(c5cc2c(cnn2c4cnn(C3CC3)c4)cc5Cl)C6
O[C@@H]1CCCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C1
CC1(O)CCN(c2cc3c(cnn3-c3cnn(-c4ncc(F)cn4)c3)cc2Cl)CC1
FC1(F)CCCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C1
O=C1CC2(CN1)CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
O=C1CC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)C2)CN1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCC(n2cccn2)CC1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCC(c2ccncc2)CC1
CS(=O)(=O)C1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCC(c2ncccn2)CC1
Cn1cnnc1C1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
CN1CC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CC1=O
CS(=O)(=O)N1CC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2(CCCOC2)C1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCC(C2COC2)CC1
OC[C@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C1
CC1(O)CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C1
OC1CN(C2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
COC1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCC2(CC1)COC2
O=C1OC[C@H]2CN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CCN12
CN1CCC2CN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CCC21
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCc2[nH]ncc2C1
CN1C(=O)N(C2CC2)C2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC21
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCn2ccnc2C1
OC[C@@H]1[C@H]2CN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)C[C@@H]12
CC(C)(O)[C@@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C1
N#CC[C@@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C1
N#CC[C@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCN(C2CC2)CC1
OC1CC2CN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CCN2C1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CCC(c2cnccn2)CC1
N[C@@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C[C@H]1F
N[C@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C[C@H]1F
CC(C)(O)C12CC(C1)N(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
CS(=O)(=O)NCC1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
N#CC1CC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
CN1CCC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)C2)C1
O=S(=O)(C1CC1)C1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
O=c1ccc2c([nH]1)CCN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
FC1(F)CN(C2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1C[C@H]2C[C@@H](C1)O2
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1C2CCC1c1cn[nH]c1C2
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1C[C@@H]2CN(C3COC3)C[C@@H]2C1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CCC(C1)N2
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CCC(C1)N2C1COC1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC[C@H]2NCCO[C@@H]2C1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC[C@@H]2NCCO[C@H]2C1
OC1(CCN(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C1CC1)c1cncs1
OCC1(O)CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
OC1CC2CN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC12
OC1CCCC1N1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
CC1(O)C2CCC1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
FC1(F)CNC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
OC1(C2CCOC2)CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
OC1(C2CCOC2)CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
COC12CC(n3cc(-n4ncc5cc(Cl)c(N6CC7CCC(C6)C7(C)O)cc54)cn3)(C1)C2
COCC12CC3(n4cc(-n5ncc6cc(Cl)c(N7C[C@H]8CC[C@@H](C7)C8(C)O)cc65)cn4)CC13C2
COCC12CC3(n4cc(-n5ncc6cc(Cl)c(N7CCC(C(C)(C)O)CC7)cc65)cn4)CC13C2
COCC12CC(n3cc(-n4ncc5cc(Cl)c(N6CC7CC(C6)C7(C)O)cc54)cn3)(C1)C2
COCC12CC3(n4cc(-n5ncc6cc(Cl)c(N7CC8CC(C7)C8(O)c7ccccc7)cc65)cn4)CC13C2
C[C@@]1(O)[C@H]2CO[C@@H]1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
C[C@]1(O)[C@@H]2CO[C@H]1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
CC1(O)C2CC1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
Cn1cc(-n2ncc3cc(Cl)c(N4CC5CC(C4)C5(O)c4cccnc4)cc32)cn1
Cc1ncccc1C1(O)[C@@H]2CC[C@H]1CN(c1cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc1Cl)C2
OC1(c2cccnc2)[C@@H]2CC[C@H]1CN(c1cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc1Cl)C2
Cc1ccc(C2(O)[C@@H]3CC[C@H]2CN(c2cc4c(cnn4-c4cnn(C5CC5)c4)cc2Cl)C3)cn1
OC1(c2cccnc2)C2CC1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
Cc1ncccc1C1(O)[C@@H]2CC[C@H]1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
Cc1ccc(C2(O)[C@@H]3CC[C@H]2CN(c2cc4c(cnn4-c4cnn(C)c4)cc2Cl)C3)c(C)n1
Cc1ccc(C2(O)[C@@H]3CC[C@H]2CN(c2cc4c(cnn4-c4cnn(C5CC5)c4)cc2Cl)C3)c(C)n1
Cc1ncccc1C1(O)[C@@H]2CC[C@H]1CN(c1cc3c(cnn3-c3cnn(C)c3)cc1Cl)C2
OC1(c2nccs2)[C@@H]2CC[C@H]1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
Cn1cc(-n2ncc3cc(Cl)c(N4C[C@H]5CC[C@@H](C4)C5(O)c4cccnc4)cc32)cn1
OC1(c2cccnc2)[C@@H]2CC[C@H]1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1Cl)C2
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CCC(C1)N2c1cscn1
Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CCC(C1)N2c1cncs1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(CF)(C5)C6)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(CO)(C5)C6)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC56CC6)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC6(CC6)C5)c4)cc3Cl)CC2)COC1
COCC12CCC(n3cc(-n4ncc5cc(Cl)c(N6CCN(C7(C)COC7)CC6)cc54)cn3)(C1)C2
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CCC(CO)(CC5)CC6)c4)cc3Cl)CC2)COC1
COCC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN(C7(C)COC7)CC6)cc54)cn3)(C1)C2
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC7(COC(F)F)CC75C6)c4)cc3Cl)CC2)COC1
CN(C)CC12CC3(n4cc(-n5ncc6cc(Cl)c(N7CCN(C8(C)COC8)CC7)cc65)cn4)CC13C2
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC7(CN8CCOCC8)CC75C6)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC7(C(F)F)CC75C6)c4)cc3Cl)CC2)COC1
COC(C)C12CC3(n4cc(-n5ncc6cc(Cl)c(N7CCN(C8(C)COC8)CC7)cc65)cn4)CC13C2
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(I)(C5)C6)c4)cc3Cl)CC2)COC1
C[C@H]1OC[C@@]1(C)N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
C[C@@H]1OC[C@]1(C)N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
C[C@H]1OC[C@]1(C)N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
C[C@@H]1OC[C@@]1(C)N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
C[C@@H]1CN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CCN1[C@]1(C)COC[C@H]1O
C[C@@H]1CN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CCN1[C@@]1(C)COC[C@@H]1O
C[C@@H]1CN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CCN1[C@]1(C)COC[C@@H]1O
C[C@@H]1CN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CCN1[C@@]1(C)COC[C@H]1O
O[C@H]1COC[C@H]1N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
O[C@H]1COCC1N1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC[C@@H]1O
CO[C@H]1COC[C@H]1N1CCN(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(C1)C2 |r|
CO[C@H]1COC[C@@]1(C)N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
F[C@@H]1COC[C@H]1N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
COC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN([C@]7(C)COC[C@@H]7O)CC6)cc54)cn3)(C1)C2
COC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN([C@@]7(C)COC[C@H]7O)CC6)cc54)cn3)(C1)C2
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(F)(C5)C6)c4)cc3Cl)CC2)COC[C@@H]1O
COCC12CC(C1)(C2)n1cc(cn1)-n1ncc2cc(Cl)c(cc12)N1CCN(CC1)[C@]1(C)COC[C@@H]1O |r|
[2H]C([2H])([2H])OCC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN([C@]7(C)COC[C@@H]7O)CC6)cc54)cn3)(C1)C2
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C#N)(C5)C6)c4)cc3Cl)CC2)COC[C@@H]1O
COC[C@@H]1C[C@H]1n1cc(-n2ncc3cc(Cl)c(N4CCN([C@]5(C)COC[C@@H]5O)CC4)cc32)cn1
COC[C@H]1C[C@@H]1n1cc(-n2ncc3cc(Cl)c(N4CCN([C@]5(C)COC[C@@H]5O)CC4)cc32)cn1
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5(F)F)c4)cc3Cl)CC2)COC[C@@H]1O
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C(F)F)c4)cc3Cl)CC2)COC[C@@H]1O
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(CC(F)(F)F)c4)cc3Cl)CC2)COC[C@@H]1O
Cn1cc(-n2ncc3cc(Cl)c(N4CCN([C@]5(C)COC[C@@H]5O)CC4)cc32)cn1
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC[C@@]1(C)O
C[C@]1(O)COC[C@@]1(C)N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
C[C@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC[C@@H]1C#N
C[C@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC[C@H]1C#N
C[C@H]1CN([C@@]2(C)COC[C@H]2O)CCN1c1cc2c(cnn2-c2cnn(C34CC(C3)C4)c2)cc1Cl
C[C@@H]1CN([C@@]2(C)COC[C@H]2O)CCN1c1cc2c(cnn2-c2cnn(C34CC(C3)C4)c2)cc1Cl
C[C@@H]1CN([C@]2(C)COC[C@@H]2O)CCN1c1cc2c(cnn2-c2cnn(C34CC(C3)C4)c2)cc1Cl
C[C@H]1CN([C@]2(C)COC[C@@H]2O)CCN1c1cc2c(cnn2-c2cnn(C34CC(C3)C4)c2)cc1Cl
Cc1cc2cnn(-c3cnn(C45CC(C4)C5)c3)c2cc1N1CCN([C@]2(C)COC[C@@H]2O)CC1
Cc1cc2cnn(-c3cnn(c3)C34CC(C3)C4)c2cc1N1CCN(CC1)[C@@H]1COC[C@@H]1O |r|
Cc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CCC(C1)C2(C)O
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3C#N)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3C#N)CC2)COC1
CC1(O)C2CCC1CN(c1cc3c(cnn3-c3cnn(C4CC4)c3)cc1C#N)C2
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3C(F)F)CC2)COC1
C[C@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)CC[C@@H]1O
C[C@]1(CC[C@H]1O)N1CCN(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(C1)C2 |r|
CC1(O)CCN(c2nc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
CC1(N2CCN(c3nc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC1
CC1(O)CCN(c2nc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1
FC1(F)CN(C2CCN(c3nc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
CC1(O)C2CCC1CN(c1cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc1Cl)C2
CC1(N2CCN(c3nc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC1
C[C@@]1(N2CCN(c3nc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC[C@@H]1O
O[C@H]1COC[C@H]1N1CCN(c2nc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
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
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Oc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1Br
COc1c(C)cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1C
Cc1cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc(C)c1O
COc1c(Br)cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1Br
Oc1c(F)cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1F
Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1Br
Oc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1
COc1cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)ccc1OCCN1CCOCC1
CN(C)CCOc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1
Clc1ccc2NC(=O)\C(=C\c3ccccc3)c2c1
Clc1ccc2NC(=O)\C(=C\c3ccc(OCCN4CCOCC4)cc3)c2c1
CC(=O)Nc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1
Oc1c(Br)cc(\C=C2\C(=O)Nc3ccc(cc23)-c2ccccc2)cc1Br
COc1ccc2NC(=O)\C(=C\c3cc(Br)c(O)c(Br)c3)c2c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4ccccc4)n3n2)c1
Cn1cc(cn1)-c1nnc2ccc(Sc3cc(Cl)ccc3Cl)nn12
COc1ccc(Cl)cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1
COc1ccc(cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1)C#N
COc1ccc(OC)c(Sc2ccc3nnc(-c4cn(C)nc4C)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4cnn(C)c4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4ccn(C)n4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4cncs4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4ccsn4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4ccon4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4cncc(OC)c4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4cccnc4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4ccccn4)n3n2)c1
COc1ccc(OC)c(Sc2ccn3nc(C)c(-c4cnn(C)c4)c3n2)c1
COc1ccc(OC)c(Sc2ccc3nc(C)c(-c4cnn(C)c4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3c2)c1
COc1ccc(OC)c(Sc2ccc3ncn(-c4cnn(C)c4)c3n2)c1
COc1ccc(OC)c(Sc2ccc3nnn(-c4cnn(C)c4)c3n2)c1
COc1ccc(OC)c(Sc2ccn3ncc(-c4cnn(C)c4)c3n2)c1
COc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4cnn(C)c4)n3c2)c1
COc1ccc(OC)c(Sc2cc(C)c3nnc(-c4cnn(C)c4)n3n2)c1
COc1ccc(OC)c(Sc2nn3c(nnc3cc2C)-c2cnn(C)c2)c1
COc1ccc(OC)c(c1)N(C)c1ccc2nnc(-c3cnn(C)c3)n2n1
COc1ccc(OC)c(c1)C(F)(F)c1ccc2nnc(-c3cnn(C)c3)n2n1
COc1ccc(OC)c(c1)C(=O)c1ccc2nnc(-c3cnn(C)c3)n2n1
COc1ccc(OC)c(c1)C(O)c1ccc2nnc(-c3cnn(C)c3)n2n1
COc1ccc(OC)c(Cc2ccc3nnc(-c4cnn(C)c4)n3n2)c1
COc1ccc(OC)c(Oc2ccc3nnc(-c4cnn(C)c4)n3n2)c1
COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1
COc1ccc(OC)c(Oc2ccc3nnc(-c4ccccc4)n3n2)c1
COc1cc(Sc2ccc3nnc(-c4cnn(C)c4)n3n2)c(OC)nn1
COc1ccc(cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1)C(C)C
COc1cccc(Sc2ccc3nnc(-c4ccccc4)n3n2)c1
COc1ccccc1Sc1ccc2nnc(-c3ccccc3)n2n1
COc1ccc(OC)c(Sc2ccc3nnc(Cc4cnn(C)c4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(C4CCN(C)C4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(C4CCOC4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(C4CC4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4cnccn4)n3n2)c1
COc1ccc(OC)c(Sc2ccc3nnc(-c4ccncc4)n3n2)c1
Cc1nc(no1)[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
N#CCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#CC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Fc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
Fc1ccc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC3)c12
C[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
C1CN(CCO1)c1ncnc2[nH]cc(-c3cnccn3)c12
N#Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
N#Cc1cc(ccn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
COC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
CN1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4COCC4C3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4CCOC4C3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4(COC4)C3)c12
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCOCC3)c12
Cc1nc(no1)[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC(CC3)N3CCCCC3)nc12
CN1Cc2ccccc2N(C)c2nc(Nc3ccc(cc3Cl)C(=O)N3CCC(CC3)N3CCCCC3)ncc12
CN1c2ccccc2C(=O)N(C)c2cnc(Cl)nc12
CN1Cc2ccccc2N(C)c2nc(Cl)ncc12
Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
Clc1cc(ccc1Nc1ncccn1)C(=O)N1CCC(CC1)N1CCCCC1
Clc1cc(ccc1Nc1cncnc1)C(=O)N1CCC(CC1)N1CCCCC1
Clc1cc(ccc1Nc1ccccn1)C(=O)N1CCC(CC1)N1CCCCC1
Clc1cc(ccc1Nc1cccnc1)C(=O)N1CCC(CC1)N1CCCCC1
Clc1cc(ccc1Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1
COc1ccccc1Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
[O-][N+](=O)c1ccccc1Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
COc1cccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)c1
[O-][N+](=O)c1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
Cc1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
CC(=O)Nc1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
Clc1cc(ccc1NCc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1
COc1cccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)c1
[O-][N+](=O)c1ccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
Cc1ccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
CCCNc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
Clc1cc(ccc1NC1CCCCC1)C(=O)N1CCC(CC1)N1CCCCC1
Cn1cccc1CNc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
Clc1cc(ccc1NC(=O)c1ccc[nH]1)C(=O)N1CCC(CC1)N1CCCCC1
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(c1)-c1nc2ccccc2[nH]1 |r|
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r|
COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
[O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]c(=O)[nH]c2c1)C#N
OCCNC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1
CC(N1CCOCC1)c1ccc(NC(=O)c2cc([nH]n2)C2CC2)cc1
COc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCOCC1
CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CSc1sc(-c2cc[nH]n2)c2C[C@@H](NC(=O)c12)c1ccccc1 |r|
CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C(F)(F)F
CSc1sc(-c2cc[nH]n2)c2CC(Cc3ccccc3)NC(=O)c12
CSc1sc(-c2cc[nH]n2)c2CC(C)NC(=O)c12
CSc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccn(C)n1
CCCc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
CC1(C)Cc2c(sc(OC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
CC1(C)Cc2c(sc(NC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
O=C1CCCc2c(sc(NC3CCCC3)c12)-c1cc[nH]n1
O=C1CCCc2c(sc(SC3CCCC3)c12)-c1cc[nH]n1
Cc1nnc(Sc2sc(-c3cc[nH]n3)c3CC(C)(C)CC(=O)c23)s1
CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1cc[nH]n1
CC1(C)Cc2c(sc(SCCc3ccccc3)c2C(=O)C1)-c1cc[nH]n1
CC1(C)Cc2c(sc(SCc3ccccc3)c2C(=O)C1)-c1cc[nH]n1
CC1(C)Cc2c(sc(SCC3CC3)c2C(=O)C1)-c1cc[nH]n1
CC1(C)Cc2c(sc(SC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
CC(C)Sc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
CC1(C)Cc2c(sc(c2C(=O)C1)S(C)(=O)=O)-c1cc[nH]n1
CSc1sc(-c2cc[nH]n2)c2CCCC(=O)c12
CSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
CCCSc1sc(-c2cc[nH]n2)c2[C@@H](CC)CNC(=O)c12 |r|
C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
CCCSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
O=C1NCCc2c(sc(Sc3ccccc3)c12)-c1cc[nH]n1
O=C1NCCc2c(sc(SC3CC3)c12)-c1cc[nH]n1
O=C1NCCc2c(sc(SC3CCCCC3)c12)-c1cc[nH]n1
O=C1NCCc2c(sc(SC3CCCC3)c12)-c1cc[nH]n1
CC(C)Sc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
CCCSc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
CCSc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
CSc1sc(-c2cc[nH]n2)c2CCN(C(=O)c12)c1ccccc1
CSc1sc(-c2cc[nH]n2)c2CCN(C)C(=O)c12
CSc1sc(-c2cc[nH]n2)c2[C@H](Cc3ccccc3)CNC(=O)c12 |r|
CC[C@@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c12 |r|
CC[C@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c12 |r|
CSc1sc(-c2cc[nH]n2)c2[C@H](C)CNC(=O)c12 |r|
CSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
CSc1sc(-c2cc[nH]n2)c2CC3(CCCC3)NC(=O)c12
CSc1sc(-c2cc[nH]n2)c2CC3(CCC3)NC(=O)c12
CSc1sc(-c2cc[nH]n2)c2CC3(CC3)NC(=O)c12
CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1nccs1
CSc1sc(-c2cc[nH]n2)c2C[C@H](NC(=O)c12)c1ccccc1 |r|
CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)c1cccc(F)c1
CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)c1ccc(F)cc1
CSc1sc(-c2cc[nH]n2)c2C[C@H](NC(=O)c12)c1cccnc1 |r|
COCC1Cc2c(sc(SC)c2C(=O)N1)-c1cc[nH]n1
CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C1CCC1
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
CN(c1cccc(c1)S(C)(=O)=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Nc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3)cc12
CN(C)S(=O)(=O)c1ccc(o1)C(=O)Nc1nc2ccccc2n1-c1ccccc1
CCn1c(NC(=O)c2ccnc(c2)-n2ccnc2)nc2ccccc12
CCOc1ccc(Nc2nc(N3CCOCC3)c3nc[nH]c3n2)cc1
Cc1ccccc1Nc1nc2ccc(cn2n1)-c1cc(C)c(O)c(C)c1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2cnn(CC(C)(C)O)c2Cl)ncc1C(F)(F)F
Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
OC1CCN(CC1)c1nc(Nc2cccc(c2)C(F)(F)F)c2c(cc[nH]c2=O)n1
NC(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
COc1cccc(Nc2nc(NCCO)c3nc[nH]c3n2)c1
Clc1ccccc1-c1ccnc2[nH]cc(C#N)c12
Cc1ccccc1-c1ccnc2[nH]cc(C#N)c12
Cc1cccc(n1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Cc1cc(ccn1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Cc1cn(C)nc1Nc1cc(-c2cncc(C)c2)c2c(c[nH]c2n1)C#N
Clc1ccnc2[nH]cc(C#N)c12
Cc1cncc(c1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
Cc1cc(ccn1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N
c1cc2c(c[nH]c2nc1)C#N
N#Cc1c[nH]c2nccc(-c3ccccc3)c12
Clc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Cc1ccc(cc1)-c1ccnc2[nH]cc(C#N)c12
Cc1ccnc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Cc1cccc(n1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cn[nH]c1
CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CCN2CCOCC2)cc1
Cc1ncc(o1)-c1cc(cnc1N)-c1ccc(C)cc1
CCn1cc(cn1)-c1cc(cnc1N)-c1ccc(C)cc1
Cn1cc(cn1)-c1cc(cnc1N)-c1ccc2n(C)ccc2c1
CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc2n(C)ccc2c1
Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cn(C)cn1
CCc1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1
CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1
CN1CCc2cc(ccc12)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc2[nH]ccc2c1
Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc(CN2CCOCC2)cc1
Cc1cn(nn1)-c1cc(cnc1N)-c1ccc(C)cc1
Cc1ccc(cc1)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
Cc1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
CC(C)c1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
Cn1cc(cn1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cnn(C)c1
Brc1ccc(OCc2ccc(cc2)C#N)c(c1)C(=O)Nc1cccnc1
Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Fc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1F
Clc1cncc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
CC(Oc1ccc(Br)cc1C(=O)Nc1cccnc1)c1ccccc1
Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ncco1
Brc1ccc(OCc2ccccc2)c(c1)C(=O)NC1CCCCC1
Cc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
COc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
Fc1cccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)c1
CN(C)c1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
Clc1ccccc1COc1ccc(Br)cc1C(=O)Nc1cccnc1
Fc1ccccc1COc1ccc(Br)cc1C(=O)Nc1cccnc1
Fc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1
COc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1
Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnn1
Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cnccn1
Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cncnc1
Cn1nccc1-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Fc1ccc(COc2ccc(cc2C(=O)Nc2cccnc2)C(F)(F)F)cc1
O=C(Nc1cccnc1)c1cc(ccc1OCc1ccccc1)-c1ccncc1
CN(C)S(=O)(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
CN(C)C(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
COc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Fc1ccc(COc2ccc(cc2C(=O)Nc2cccnc2)-c2cn[nH]c2)cc1
Fc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Clc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Cc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Cn1cc(cn1)-c1ccc(OCc2ccc(F)cc2)c(c1)C(=O)Nc1cccnc1
Cn1cc(cn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Fc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
Clc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
Cn1cc(C=Cc2[nH]nc3ccnc(OC4CCCCC4)c23)cn1 |w:5.5|
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1F
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
CNc1nc(Nc2ccc(cc2Br)C(=O)N2CCOCC2)ncc1Cl
CNc1nc(Nc2ccccc2OC(F)F)ncc1Cl
CNc1nc(Nc2ccccc2Br)ncc1Cl
CNc1nc(Nc2ccccc2OC)ncc1Cl
CNc1nc(Nc2ccccc2C)ncc1Cl
CNc1nc(Nc2ccccc2)ncc1Cl
Cc1cc(cc(C)c1C)-c1ccc2nc(Nc3ccccc3)nn2c1
CNc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)ncc1Cl
COc1cc(ccc1Nc1ncc(Br)c(OC)n1)C(=O)N1CCOCC1
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)NCC(C)(C)O)ncc1C(F)(F)F
CNc1nc(Nc2cnc(cc2OC)C2CCOCC2)ncc1C(F)(F)F
CCNc1nc(Nc2cnc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4
CNc1nc(Nc2cc(C)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(C)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cc(OC)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2cn(C)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C)c2)ncc1C(F)(F)F
CNc1nc(Nc2ccnn2C)ncc1C(F)(F)F
CNc1nc(Nc2ccn(C)n2)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C)c2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C)c2C)ncc1C(F)(F)F
CC(C)Nc1c(nnc2c(C)c(ccc12)-c1ccncc1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)-c1cnsc1)C(N)=O
CC(C)Nc1c(nnc2cc(ccc12)N1CCOCC1)C(N)=O
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C1=NCCN1 |t:27|
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1nccs1
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(C)=O
C[C@@H](Nc1c(cnc2cc(ccc12)-c1ccc(cc1)-n1ccoc1=O)C#N)C1CC1 |r|
C[C@@H](Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N)C1CC1 |r|
CN(C(C)=O)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(c(cnc2c1)C#N)-n1ccnc1
CN(c1ccccc1)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
CN1CCN(CC1)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N3CCCCC3)c(cnc2c1)C#N
CN(C)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
Cn1cc(cn1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
CC(C)Nc1c(cnc2ccccc12)C#N
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(Cl)s1)C#N
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(nc1)S(C)(=O)=O)C#N
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C)C#N
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1)C#N
CC(C)Nc1c(cnc2cc(ccc12)-c1cnc(C)s1)C#N
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N
CNS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(C)C)c(cnc2c1)C#N
CC(C)Nc1c(cnc2cc(ccc12)-c1cnn(C)c1)C#N
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1cnn(C)c1
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc2nnc(-c3ccccc3)n2n1
FC(F)(F)c1cccc(c1)S(=O)c1ccc2nnc(-c3ccccc3)n2n1
FC(F)(F)c1cccc(c1)C(C#N)c1ccc2nnc(-c3ccccc3)n2n1
FC(F)(F)c1cccc(c1)C(=O)c1ccc2nnc(-c3ccccc3)n2n1
FC(F)(F)c1cccc(Nc2ccc3nnc(-c4ccccc4)n3n2)c1
FC(F)(F)c1cccc(Oc2ccc3nnc(-c4ccccc4)n3n2)c1
CCOC(=O)c1cc(Sc2cccc(c2)C(F)(F)F)nn2c(nnc12)-c1cccs1
CCOC(=O)C(C)Sc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1
Cc1cc(Sc2cccc(c2)C(F)(F)F)nn2c(nnc12)-c1cccs1
Cc1cc2nnc(-c3cccs3)n2nc1Sc1cccc(c1)C(F)(F)F
CC(Sc1ccc2nnc(-c3cccc(Cl)c3)n2n1)c1ccn[nH]1
CC(Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1
CC(C)(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
CC(C)C(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
CCC(Sc1ccc2nnc(-c3cccs3)n2n1)C(=O)OC
COC(=O)[C@@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 |r|
COC(=O)[C@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 |r|
CC(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
S(c1ccccc1)c1ccc2nnc(-c3cncs3)n2n1
FC(F)(F)c1ccnc(Sc2ccc3nnc(-c4cncs4)n3n2)n1
S(c1ccc2nnc(-c3cncs3)n2n1)c1ncccn1
FC(F)(F)Oc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
CC(C)(C)c1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
COc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Fc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Clc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Brc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
FC(F)(F)c1ccccc1Sc1ccc2nnc(-c3ccccc3)n2n1
FC(F)(F)c1ccc(Sc2ccc3nnc(-c4ccccc4)n3n2)cc1
FC(F)(F)c1cccc(Sc2ccc3nnc(Cc4cccs4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCNCC4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCOCC4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCCC4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(C4CC4)n3n2)c1
Fc1ccc(cc1)-c1nnc2ccc(Sc3cccc(c3)C(F)(F)F)nn12
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccc(c4)N4CCNCC4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccc(Cl)c4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccc4Cl)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccncc4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccnc4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccn4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4sccc4Br)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cscn4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4nccs4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccn[nH]4)n3n2)c1
COC(=O)C(C)Sc1ccc2ncc(-c3cccs3)n2n1
FC(F)(F)c1cccc(Sc2cn3c(cnc3cn2)-c2cccs2)c1
FC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3c2)c1
FC(F)(F)c1cccc(Sc2ccc3cnc(-c4cccs4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccs4)n3n2)c1
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccc4)n3n2)c1
O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
COc1ccc2N(C)C(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1
CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(F)(F)F)cc2C1
CC(C)Oc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1
CC(=O)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
COc1ccc2NC(=O)\C(=C/c3[nH]c4CCN(Cc4c3Cl)C(C)=O)c2c1
COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCN(C)CC3)c2c1
COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)c3cnoc3C)c2c1
COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1
COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)CCN)c2c1
COc1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCCCN)c3C)c2c1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
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,)|
CNc1nc(Nc2cnn([C@H]3CCN(C[C@@H]3F)C3COC3)c2Cl)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)[C@H]2CCN(C[C@H]2F)C2COC2)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(C3CCN(CC3)C3COC3)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C3COC3)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(c2Cl)C2(CC2)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2(CC2)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cnn(c2C)C(C)(C)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(C)(C)C(=O)NCC(F)(F)F)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(C)(C)C(=O)NC(C)C)ncc1C(F)(F)F
CCNC(=O)C(C)(C)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1
CNC(=O)C(C)(C)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1
CNc1nc(Nc2cnn3C[C@H](C)OC(C)c23)ncc1C(F)(F)F |r|
CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)nc12
O=C1Nc2ccccc2C1=Nc1ccc(cc1)C#N
Brc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
O=C1Nc2ccccc2C1=NN(c1ccccc1)c1ccccc1
FC(F)(F)Oc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
Fc1ccc(cc1)N=C1C(=O)Nc2ccccc12
O=C1Nc2ccccc2C1=NN(Cc1ccccc1)c1ccccc1
Fc1ccc2NC(=O)C(=NN(c3ccccc3)c3ccccc3)c2c1
FC(F)(F)Oc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1
O=C1Nc2ccccc2\C1=N\c1ccccc1
Fc1ccccc1N=C1C(=O)Nc2ccccc12
O=C1Nc2ccccc2C1=NN1CCOCC1
CN1C(=O)C(=NN(c2ccccc2)c2ccccc2)c2ccccc12
O=C1N(Cc2ccccc2)c2ccccc2C1=NN(c1ccccc1)c1ccccc1
Brc1ccc2NC(=O)C(=NN(c3ccccc3)c3ccccc3)c2c1
Fc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
COc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
Clc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
Brc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
COc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
O=C1Nc2ccccc2C1=NN1CCCCC1
Clc1ccc2NC(=O)C(=NN(c3ccccc3)c3ccccc3)c2c1
COc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1
Clc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
Fc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
Ic1ccc2NC(=O)C(=NN3CCOCC3)c2c1
COc1ccc(cc1)\N=C1\C(=O)Nc2ccccc12
CN(C)c1ccc(cc1)N=C1C(=O)Nc2ccccc12
[O-][N+](=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2CCNCCc2c1
Clc1ccc(cc1)-c1ccnc2[nH]cc(C#N)c12
Cc1cc(N\N=C\c2ccc(O)c(O)c2)nc2ccccc12
Cc1cc(N\N=C\c2ccncc2)nc2ccccc12
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1
CCc1cc(nn1C)-c1n[nH]c2ccnc(NC3CCOCC3)c12
FC(F)(F)c1cc(ncn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
C1CC(CCO1)Nc1nccc2[nH]nc(-c3ccccn3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
CC(C)n1cc(nn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccn[nH]3)c12
C1CC(CCO1)Oc1nccc2[nH]nc(-c3cccc(n3)N3CCOCC3)c12
CC(C)(O)Cn1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Cc1n[nH]c2ccnc(OC3CCOCC3)c12
CCc1cc(nn1C)-c1n[nH]c2ccnc(NC(C)C)c12
CC(C)c1n[nH]c(n1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
CC(C)Nc1nccc2[nH]nc(-c3nnc(C4CC4)n3C)c12
CCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)n(C)n1
Cc1n[nH]c2ccnc(Nc3cccnc3)c12
Cc1n[nH]c2ccnc(Nc3ccccc3F)c12
Cc1n[nH]c2ccnc(Nc3ccc(Cl)cc3)c12
Cc1n[nH]c2ccnc(NCc3ccc(Cl)cc3)c12
Cc1n[nH]c2ccnc(NC3CCCC3)c12
Cc1n[nH]c2ccnc(NCC3CC3)c12
CC[C@H](C)Nc1nccc2[nH]nc(C)c12 |r|
Cc1n[nH]c2ccnc(OC3CCCCC3)c12
CC(C)Oc1nccc2[nH]nc(C)c12
Cc1n[nH]c2ccnc(OC3CCC3)c12
Cc1n[nH]c2ccnc(O[C@@H]3CCOC3)c12 |r|
Cn1cc(cn1)-c1n[nH]c2ccnc(NC3CCCCC3)c12
C1CCC(C1)n1cc(cn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
CC(C)Cn1cc(cn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCCCC3)c12
Cc1nn(C)c2ccnc(NC3CCCCC3)c12
Cc1noc2ccnc(NC3CCCCC3)c12
Cc1n[nH]c2cncc(NC3CCCCC3)c12
Cc1n[nH]c2ccnc(Nc3ccc4ncsc4c3)c12
Cc1n[nH]c2ccnc(N3CCOCC3)c12
Cc1n[nH]c2ccnc(Nc3cnn(C)c3)c12
Cc1n[nH]c2ccnc(Nc3ccc(C)cc3)c12
CN(C1CCCCC1)c1nccc2[nH]nc(C)c12
CN1CCC(CC1)Oc1nccc2[nH]nc(C)c12
CC(C)n1cc(cn1)-c1n[nH]c2ccnc(NC3CCCCC3)c12
CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Cc1c[nH]c2ccnc(NC3CCCCC3)c12
CC(C)Cn1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Cc1n[nH]c2ccnc(NC3CCCCC3)c12
Cc1n[nH]c2ccnc(NC3CC3)c12
CCOc1nccc2[nH]nc(C)c12
Cc1n[nH]c2ccnc(NC3CCC3)c12
CC(C)Nc1nccc2[nH]nc(C)c12
F[C@H]1CC[C@H](C1)n1c(Cc2csnn2)nc2cnc3ccc(cc3c12)C#N |r|
Cc1nc(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCOCC2(F)F)C(F)(F)F)no1 |r|
CN1CC(n2c(Cc3cnc(C)cn3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1
CN1CC(n2c(Cn3ncc(C)n3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1
C[C@@H]1C[C@@H](CCO1)n1c(Cc2cn(C)nn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
[2H]C([2H])([2H])c1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCO[C@H](C)C2)cn1 |r|
C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C
OCC1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
CN1CCC(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
[H][C@@]12COC[C@]1([H])CN(C2)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1 |r|
CN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCNCC1
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCOCC1
OC1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCCC1
Fc1ccc(COc2ccc(cc2C(=O)Nc2cccc(c2)C#N)C(F)(F)F)cc1
Fc1ccc(COc2ccc(cc2C(=O)Nc2cccc(F)c2)C(F)(F)F)cc1
FC(F)(F)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccc(Cl)c1
FC(F)(F)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
CN1CC2(C1)CCN(CC2)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
C[C@H]1CN(C[C@@H](C)O1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1 |r|
FC1(F)CN(C1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
COCCN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
Fc1ccc(COc2ccc(cc2C(=O)Nc2cccc(Cl)c2)C(F)(F)F)cc1
CN1CC2(C1)CN(C2)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
FC1CN(C1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCCCC1
COCCN1CCC(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
C[C@@H]1COCCN1c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1 |r|
FC1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
FC(F)(F)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCC(CC1)C#N
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1
Fc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1
CC(C)c1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
Fc1ccc2nc(NC(=O)c3ccccc3)sc2c1
Cc1cc(cc(C)c1O)-c1ccc2nc(Nc3ccccc3)nn2c1
Cc1ccc(cc1)-c1cc2nccnc2c(NCCCCN)n1
Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r|
O[C@@H]1CCN(C[C@@H]1F)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
CC(C)(O)C1CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N
CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
CC1(O)CC2(CN(C2)c2cc(ncn2)-n2ncc3ccc(cc23)C2(CC3(CC3)C2)C#N)C1
[H][C@]12COCCN1CCN(C2)c1cc(nc(C)n1)-n1ncc2cnc(cc12)C1(CC2(CC2)C1)C#N |r|
C[C@H]1CN(CCN1C1COC1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCOCC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCNCC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(CC1)C1CCN(C)CC1
CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3C)N3CCC(O)CC3)nc12
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCN(CC1)C1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C
CCN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C(C)C)c2n1)N1CCN(C)CC1
CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCC3)c2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(Cc3ccccc3)c2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1nc(C)c2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cc(C)ccc3N(C)c2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cc(Cl)ccc3N(C)c2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccc(Cl)cc3N(C)c2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C
COc1cc(ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C)c2ccccc2C1=O
COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
COc1cc(ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
CCN1c2cnc(Nc3ccc(NS(C)(=O)=O)cc3OC)nc2N(C)c2ccccc2C1=O
COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1
COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1
CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2c[nH]nc12
FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1C#N)-c1cnn(c1)C1CC1
NC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
[H][C@]12CCCN1CCN(C2)C(=O)c1ccc(Nc2nc(OCC)c3cc[nH]c3n2)c(OC)c1 |r|
[H][C@@]12CCCN1CCN(C2)C(=O)c1ccc(Nc2nc(OCC)c3cc[nH]c3n2)c(OC)c1 |r|
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCC3(CN(C)C3)CC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CC3(COC3)C2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(F)CC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2C[C@H](C)O[C@H](C)C2)nc2[nH]ccc12 |r|
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOC[C@H]2C)nc2[nH]ccc12 |r|
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOC[C@@H]2C)nc2[nH]ccc12 |r|
CCOc1nc(Nc2ccc(cc2OC)C(=O)NCC(C)(C)O)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2N(C)C)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2OC(F)F)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCOc1cc(ccc1Nc1nc(OCC)c2cc[nH]c2n1)C(=O)N1CCOCC1
CCOc1cc(ccc1Nc1nc(OCC)c2cc[nH]c2n1)C(=O)N1CCN(C)CC1
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2Cl)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2F)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc2[nH]ccc12
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
C[C@H]1CC(CCN1C1COC1)c1cc2nc(Nc3cnn(C4CC4)c3C)ncc2cc1Cl |r|
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2(C)COC2)cnn1C1CCOC1
Cc1cc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)sn1
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COCC2C#N)cnn1C1CC1
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COCC2F)cnn1C1CC1
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2CS(=O)(=O)C2)cnn1C1CC1
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
Nc1[nH]cnc2ncnc12
CN(C)c1ncnc2nc[nH]c12
c1c2c(ncnc2n[nH]1)N
Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N
Cn1c(NCc2ccccc2)c(C#N)c2c(N)ncnc12
Cn1c(c(C#N)c2c(N)ncnc12)-c1ccccc1
Cn1c(c(C#N)c2c(N)ncnc12)-c1cccc(F)c1F |(8.25,-20.75,;7.77,-19.29,;8.68,-18.04,;7.77,-16.79,;8.25,-15.33,;8.72,-13.87,;6.3,-17.27,;4.97,-16.5,;4.96,-14.96,;3.64,-17.27,;3.64,-18.82,;4.97,-19.59,;6.3,-18.81,;10.22,-18.04,;10.97,-16.71,;12.51,-16.7,;13.29,-18.04,;12.52,-19.37,;13.29,-20.71,;10.98,-19.37,;10.2,-20.71,)|
Cn1c(N)c(C#N)c2c(N)ncnc12
CN(C)c1c(C#N)c2c(N)ncnc2n1C
Cn1c(N2CCCC2)c(C#N)c2c(N)ncnc12
C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N
C[C@H]1CCCN1c1c(C#N)c2c(N)ncnc2n1C |r|
C[C@@H]1CCCN1c1[nH]c2ncnc(N)c2c1C#N |r|
C[C@@H]1CCCN1c1cc2c(N)ncnc2n1C |r|
C[C@@H]1CCCN1c1c(C(N)=O)c2c(N)ncnc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nccc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(N)nc2n1C |r|
C[C@@H]1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn[nH]c3)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3ccn(C)n3)cc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3nn(C)cc3C)cc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3C)nc2n1C |r|
Cc1c(cn(n1)C)Nc2nc(c3c(c(n(c3n2)C)N4CCC[C@H]4C)C#N)N
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3c[nH]nc3C)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3Cl)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3C(F)(F)F)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(CC(C)(C)O)nc3C)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(CC(C)(C)O)c3C)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(CC4(O)COC4)nc3C)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(CC4(O)COC4)c3C)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(nc3C)C3COC3)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C4COC4)c3C)nc2n1C |r|
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(nc3C)C3CCOC3)nc2n1C |r|
Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N
Cc1c(cnn1[C@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N
Cn1c(c(C#N)c2c(N)ncnc12)-n1cccc1
C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)cc2n1C |r|
Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
OC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
CNC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
CN(CCO)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
OCCCNc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
CC(CO)CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
Clc1cccc(c1)-c1c[nH]c2nccc(N3CCOCC3)c12
FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1COC1
FC(F)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2F)C2COC2)c1Cl
FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COC1
CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
Cc1c(Nc2ncc3ccc(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CCOCC1
Clc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
Cc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
Cc1c(Nc2ncc3ccc(cc3n2)C2(CC2)C#N)cnn1C1CCOCC1
Cc1c(Nc2ncc3ccc(cc3n2)-c2ccn[nH]2)cnn1C1CCOCC1
Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5
FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1CCOC1
FC1COCC1N1CCC(C(F)C1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
c1c2cnc(nc2cc(c1Cl)[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)Nc5cnn(c5Cl)[C@@H]6CC6(F)F
C1CC1c1cccc2cnc(Nc3cnn(c3)C3CCOCC3)nc12
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCc2c[nH]cn2)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(C)cn1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
COC1CN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC(O)C1
C[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
C[C@@H]1[C@H](O)CCN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC2(CC1C2)C(C)(C)O |(6.51,-7.33,;5.17,-6.56,;5.17,-4.99,;3.62,-4.59,;2.8,-5.89,;3.77,-7.1,;3.22,-3.11,;4.3,-2.02,;3.91,-.53,;2.42,-.13,;1.33,-1.22,;1.73,-2.72,;-.15,-.82,;-.55,.66,;-1.24,-1.91,;-2.73,-1.51,;-3.13,-.02,;-4.62,.37,;-5.7,-.72,;-5.3,-2.2,;-3.82,-2.6,;-3.42,-4.09,;-3.02,-5.58,;-4.51,-5.18,;-1.93,-4.49,;-5.02,1.86,;-4.2,3.15,;-5.16,4.36,;-6.51,3.83,;-6.51,2.25,;-5.37,2.95,;-4.76,5.85,;-5.85,6.94,;-3.28,6.24,;-4.37,7.33,)|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
C[C@H]1CN(CCN1C1COC1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(C)c2)cc(n1)N1CC[C@H](C1)C(C)(C)O |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(c2)C2CCC2)c1)C(F)(F)F |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F |r|
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C(F)(F)F)c2)c1)C(F)(F)F |r|
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
Clc1cc2cnc(NC(=O)C3CC3c3cncnc3)cc2cc1N1CCC(CC1)C#N
CCC1C(C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3F)c(C)cc2cn1
CCOC1CC1C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1
CC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC3c3cccs3)ncc2cc1Cl
CC1(CC1C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1)C1CCOC1
Cn1ncc(n1)C1CC1C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1
CC1NN=CC1Nc1ncc2cc(Cl)c(cc2n1)N1CCC(C)(O)C(C)C1 |c:3|
CC(C)(C)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)C2(C)COC2)cn1
C[C@@H]1COC(=O)N1c1cc2nc(Nc3cnn(C4CCOCC4)c3C)ncc2cc1Cl |r|
NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c[nH]nc1-c1ccncc1
Cc1c(C)c(ccc1-c1ccc(cc1)-c1c[nH]nc1-c1ccncc1)S(N)(=O)=O
Cc1ccc(cc1-c1ccc(cc1)-c1c[nH]nc1-c1ccncc1)S(N)(=O)=O
NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c[nH]nc1-c1ccccc1
Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)-c1cc(ccc1C)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1ccnc(C)c1
Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1cc(C)nc(C)c1
Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1ccnc(c1)N1CCOCC1
Cc1c(C)c(ccc1-c1ccc(cc1)-c1c[nH]nc1-c1ccnc(c1)N1CCOCC1)S(N)(=O)=O
Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1C)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)-c1cc(cc(C)c1C)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccnc(C)c1
Cc1cc(ccn1)-c1n[nH]cc1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccnc(c1)N1CCOCC1
NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c[nH]nc1-c1ccnc(c1)N1CCOCC1
COc1cc(ccn1)-c1n[nH]c(C)c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
COc1cc(ccn1)-c1n[nH]cc1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1cc(C)nc(C)c1
Cc1cc(cc(C)n1)-c1n[nH]cc1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
Cc1[nH]nc(c1-c1ccc(c(C)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1C)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1 |(-3.96,4.16,;-4.73,2.83,;-6.27,2.83,;-6.75,1.36,;-5.5,.46,;-4.25,1.36,;-2.77,.96,;-2.37,-.53,;-.88,-.92,;.2,.16,;-.19,1.65,;-1.68,2.05,;-2.08,3.54,;1.69,-.23,;2.09,-1.73,;3.58,-2.12,;4.66,-1.03,;4.26,.46,;2.78,.85,;5.35,1.55,;6.84,1.15,;5.75,3.04,;4.26,2.64,;-5.5,-1.08,;-4.17,-1.85,;-4.17,-3.39,;-5.5,-4.16,;-6.83,-3.4,;-6.84,-1.86,)|
Cc1[nH]nc(c1-c1ccc(c(C)c1)-c1cccc(c1)C(N)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(c(C)c1)-c1cccc(c1)S(C)(=O)=O)-c1ccncc1
CCc1cc(ccc1-c1ccc(cc1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
CCc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
CCc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c[nH]nc1-c1ccncc1
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C(F)(F)F)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C#N)-c1ccncc1
COc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
Cc1[nH]nc(c1-c1ccc(c(F)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1cc(F)c(c(F)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C1CC1)-c1ccncc1
CC(C)c1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
Cc1[nH]nc(c1-c1cc(C)c(c(C)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(F)c1F)-c1ccncc1 |(-3.96,4.16,;-4.73,2.83,;-6.27,2.83,;-6.75,1.36,;-5.5,.46,;-4.25,1.36,;-2.77,.96,;-2.37,-.53,;-.88,-.92,;.2,.16,;1.69,-.23,;2.09,-1.73,;3.58,-2.12,;4.66,-1.03,;4.26,.46,;2.78,.85,;5.35,1.55,;6.84,1.15,;5.75,3.04,;4.26,2.64,;-.2,1.65,;.89,2.74,;-1.68,2.05,;-2.08,3.54,;-5.5,-1.08,;-4.17,-1.85,;-4.17,-3.39,;-5.5,-4.16,;-6.83,-3.4,;-6.84,-1.86,)|
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C1CC1)-c1ccnc(C)c1
CC(C)CN(CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12)C(=O)CNC(=O)C1COc2ccccc2C1
[O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]c(=O)n(-c3ccncc3)c2c1)C#N
[O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
[O-][N+](=O)c1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
[O-][N+](=O)c1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
[O-][N+](=O)c1cc(ccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
Cc1cc(ccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
Clc1cc(ccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
N#Cc1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
CN(c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccc(cc1C#N)C#N
N#Cc1ccc(Oc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
N#Cc1ccccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1
COc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
COc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
COc1ccc(C#N)c(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1
Cc1cccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1C#N
Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
Cc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Cc1ccc(C#N)c(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1
Fc1ccc(C#N)c(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1
Fc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Fc1cccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1C#N
Fc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
COc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3C#N)cc12
Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccc(cc3C#N)C#N)cc12
Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3C#N)cc12
N#Cc1cccc(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)c1
Cc1c(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)cccc1C#N
C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N |r|
N#Cc1ccc(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
N#Cc1ccc2[C@@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
N#Cc1ccc2[C@@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1 |r|
COc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
Cn1cc(cn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
N#Cc1ccc2c(Nc3ccc4[nH]nc(-c5ccncc5)c4c3)cccc2c1
N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@H]3CCCc4cc(ccc34)C#N)cc12 |r|
Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@H]3CCCc4cc(ccc34)C#N)cc12 |r|
N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1 |r|
N#Cc1ccc2[C@@H](CCOc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCOc4cc(ccc34)C#N)cc12 |r|
Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@@H]3CCOc4cc(ccc34)C#N)cc12 |r|
C1CC(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c2ccccc2O1
N#Cc1ccc2C(CCOc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
N#Cc1ccc2C(CCc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Fc1cc2[nH]nc(-c3ccncc3)c2cc1N[C@@H]1CCCc2cc(ccc12)C#N |r|
FC(F)(F)c1cc2[nH]nc(-c3ccncc3)c2cc1N[C@@H]1CCCc2cc(ccc12)C#N |r|
Cn1cc(cn1)NC(=O)c2cc(c[nH]2)C(=O)c3c(ccc(c3F)Cl)Cl
C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1ncn2ccc(cc12)-c1cnn(C)c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1ncc2ccc(cn12)-c1cnn(C)c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-n1ncc2ccc(cc12)-c1cnn(C)c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |(8.37,-.94,;7.28,-2.03,;6.88,-.54,;8.37,-3.12,;5.79,-2.43,;5.39,-3.92,;3.85,-4,;4.42,-2.54,;3.3,-2.56,;4.5,-1.59,;1.81,-2.16,;1.42,-.68,;-.07,-.28,;-1.16,-1.37,;-.76,-2.86,;.72,-3.25,;-.47,1.21,;.44,2.46,;-.47,3.7,;-1.93,3.23,;-3.26,4,;-4.6,3.23,;-4.6,1.68,;-3.26,.92,;-1.93,1.69,;-5.93,.91,;-7.34,1.54,;-8.37,.39,;-7.6,-.94,;-6.09,-.62,)|
C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(CC3(CCC3)C#N)cc12 |r|
C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(CCC#N)cc12 |r|
CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC1)C#N |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.22,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.88,-.43,;-6.98,1.68,;-8.31,2.45,)|
C[C@H]1CC1(C#N)c1ccc2cnn(-c3cc(ncn3)N3CC4(CC3C4)C(C)(C)O)c2c1 |r,wU:1.0,(-3.54,-1.2,;-4.87,-.43,;-6.42,-.43,;-5.64,.91,;-6.98,1.68,;-8.31,2.45,;-4.31,1.68,;-4.31,3.23,;-2.98,4,;-1.65,3.23,;-.18,3.7,;.72,2.46,;-.18,1.21,;.22,-.28,;1.7,-.68,;2.1,-2.16,;1.01,-3.25,;-.47,-2.86,;-.88,-1.37,;3.59,-2.56,;4.78,-1.59,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;6.77,-1.06,;6.77,.49,;5.44,-.29,;8.31,-.98,;-1.65,1.69,;-2.97,.92,)|
CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC1(C)C)C#N |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C(C)(C#N)C1CC1 |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.22,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-6.98,1.68,;-8.31,2.45,;-4.87,-.43,;-4.88,-1.97,;-3.54,-1.2,)|
CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;4.54,-2.51,;4.14,-4,;5.68,-3.91,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:23|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(C)c3c2)=C1C |c:24|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)=C1C |c:30|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4ccnc(c4)N4CCOCC4)c3c2)=C1C |c:37|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4cc(ncn4)N4CCOCC4)c3c2)=C1C |c:37|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4ccc(cc4)S(N)(=O)=O)c3c2)=C1C |c:34|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)=C1C |c:34|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(Br)c3c2)=C1C |c:24|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)=C1C |c:26|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)=C1C |c:33|
CCCC(=O)Nc1n[nH]c2ccc(NC(=O)C3=C(C)N(C)c4nnnn4C3)cc12 |c:16|
CN1C=C(Cn2nnnc12)C(=O)Nc1ccc2[nH]ncc2c1 |c:2|
CCC1=C(Cn2nnnc2N1C)C(=O)Nc1ccc2[nH]ncc2c1 |t:2|
CCN1c2nnnn2CC(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:24|
CC1=C(Cn2nnnc2N1CCN1CCOCC1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CN(C)C(=O)N1c2nnnn2CC(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:27|
CC1=C(Cn2nnnc2N1c1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC(=O)N1c2nnnn2CC(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:25|
C[C@@H]1C(C(=O)Nc2ccc3[nH]ncc3c2)=C(C)N(C)c2nnnn12 |r,t:16|
C[C@H]1C(C(=O)Nc2ccc3[nH]ncc3c2)=C(C)N(C)c2nnnn12 |r,t:16|
C[C@@H]1C(C(=O)Nc2ccc3[nH]nc(C)c3c2)=C(C)N(C)c2nnnn12 |r,t:17|
C[C@H]1C(C(=O)Nc2ccc3[nH]nc(C)c3c2)=C(C)N(C)c2nnnn12 |r,t:17|
C[C@@H]1C(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)=C(C)N(C)c2nnnn12 |r,t:23|
C[C@@H]1C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(c4)N4CCOCC4)c3c2)=C(C)N(C)c2nnnn12 |r,t:30|
C[C@H]1C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(c4)N4CCOCC4)c3c2)=C(C)N(C)c2nnnn12 |r,t:30|
CN1c2nnnn2C(C)(C)C(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:25|
CN1c2nnnn2C(C)(C)C(C(=O)Nc2ccc3[nH]nc(C)c3c2)=C1C |c:26|
CN1c2nnnn2C(C)(C)C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(c4)N4CCOCC4)c3c2)=C1C |c:39|
CN1c2nnnn2C(C)(C)C(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)=C1C |c:32|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]cc(C)c3c2)=C1C |c:24|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]cnc3c2)=C1C |c:23|
CN1c2nnnn2CC(C(=O)Nc2ccc3cnc(C)n3c2)=C1C |c:24|
CN1c2nnnn2CC(C(=O)Nc2ccn3cnc(C)c3c2)=C1C |c:24|
CN1c2nnnn2CC(C(=O)Nc2ccc3NC(=O)Cc3c2)=C1C |c:24|
CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)=C1C |c:24|
C[C@@H]1C(C(=O)Nc2ccc3n(C)c(=O)[nH]c3c2)=C(C)N(C)c2nnnn12 |r,t:18|
C[C@@H]1C(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)=C(C)N(C)c2nnnn12 |r,t:18|
C[C@@H]1C(C(=O)Nc2ccc3C(=O)NC(=O)c3c2)=C(C)N(C)c2nnnn12 |r,t:18|
C[C@@H]1C(C(=O)Nc2ccc3C(=O)NCc3c2)=C(C)N(C)c2nnnn12 |r,t:17|
C[C@@H]1C(C(=O)Nc2ccc3c(N)nccc3c2)=C(C)N(C)c2nnnn12 |r,t:18|
CN(C(=O)C1=C(C)N(C)c2nnnn2C1)c1ccc2[nH]ncc2c1 |c:4|
CN1c2nnnn2CC(C(=S)Nc2ccc3[nH]ncc3c2)=C1C |c:23|
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCOCCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c2c1
Cc1[nH]nc(c1-c1ccc(cc1)N1CCC2(C1)CCOCC2)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)N1CCC2(C1)CCOCC2)-c1ccccc1
Cc1[nH]nc(c1-c1ccc(N2CCC3(C2)CCOCC3)c(C)c1)-c1ccncc1
Cc1[nH]nc(c1-c1cc(F)c(N2CCC3(C2)CCOCC3)c(F)c1)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)N1CCC2(C1)CCOCC2)-c1ccnc(c1)N1CCOCC1
Cc1[nH]nc(c1-c1ccc(cc1)N1CCC2(C1)CCOCC2)-c1cc(C)nc(C)c1
Cc1[nH]nc(c1-c1ccc(cc1)N1CCC2(C1)CCOCC2)-c1ccnc(C)c1
Cc1[nH]nc(c1-c1cc(F)c(N2CCC3(C2)CCOCC3)c(F)c1)-c1ccnc(C)c1
C[C@@H]1CC2(CN1c1ccc(cc1)-c1c(C)[nH]nc1-c1ccncc1)CCOCC2 |r|
C[C@H]1CC2(CN1c1ccc(cc1)-c1c(C)[nH]nc1-c1ccncc1)CCOCC2 |r|
Cc1[nH]nc(c1-c1ccc(cc1)N1CCC2(CNC(=O)C2)CC1)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)N1CC2(C1)CCOC2)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)N1CCC2(COC2)C1)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(N2CC3(COC3)C2)c(C)c1)-c1ccncc1
Cc1[nH]nc(c1-c1cc(F)c(N2CC3(COC3)C2)c(F)c1)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)N1CC2(C1)CCOCC2)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(N2CC3(C2)CCOCC3)c(C)c1)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(cc1)N1CCC2(C1)CCS(=O)(=O)CC2)-c1ccncc1
Cc1[nH]nc(c1-c1cc(F)c(N2CCC3(C2)CCS(=O)(=O)CC3)c(F)c1)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(N2CCC3(C2)CCS(=O)(=O)CC3)c(c1)C1CC1)-c1ccncc1
Cc1[nH]nc(c1-c1cc(C)c(N2CCC3(C2)CCS(=O)(=O)CC3)c(C)c1)-c1ccncc1
Cc1[nH]nc(c1-c1cc(F)c(N2CCC3(C2)CCS(=O)(=O)CC3)c(F)c1)-c1ccnc(C)c1
Cc1[nH]nc(c1-c1ccc(N2CCC3(CS(=O)(=O)C3)C2)c(c1)C1CC1)-c1ccncc1
Cc1[nH]nc(c1-c1cc(F)c(N2CC3(C2)CS(=O)(=O)C3)c(F)c1)-c1ccncc1
Cc1[nH]nc(c1-c1ccc(N2CC3(C2)CS(=O)(=O)C3)c(c1)C1CC1)-c1ccncc1
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)CCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2c1
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)CCOCCNc3cccc4CN(C5CCC(=O)NC5=O)C(=O)c34)c2c1
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2c1
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)CCOCCOCCNc3cccc4C(=O)N(C5CCCNC5=O)C(=O)c34)c2c1
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)CCOCCOCCNc3cccc4CN(C5CCC(=O)NC5=O)C(=O)c34)c2c1
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2c1
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCNc3cccc4CN(C5CCC(=O)NC5=O)C(=O)c34)c2c1
C[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](NC(=O)CCOCCOCCOCCC(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
CC(C)(C)Cn1cc(Nc2ncc3c(Cl)c(ccc3n2)N2CCN(CC2)C2(C)COC2)cn1
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1nc2cnccc2s1
O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cnc2cnccc2c1
Cn1ncc2cc(ccc12)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
CN(C)Cc1ccc(cc1)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
COCc1ccc(cc1)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
O=C(Nc1ccc2[nH]nc(C3CC3)c2c1)c1ccc(cc1)C#N
O=C1N(C(=O)c2cc(ccc12)C#N)c1ccc2[nH]nc(C3CC3)c2c1
O=C1N(Cc2cc(ccc12)C#N)c1ccc2[nH]nc(C3CC3)c2c1
O=C1N(CCc2cc(ccc12)C#N)c1ccc2[nH]nc(C3CC3)c2c1
N#Cc1ccc2[C@H](CCc2c1)Nc1ccc2[nH]nc(-c3ccoc3)c2c1 |r|
N#Cc1ccc2[C@@H](CCc2c1)Nc1ccc2[nH]nc(-c3ccoc3)c2c1 |r|
Cc1n[nH]c2ccc(O[C@H]3CCc4cc(ccc34)C#N)cc12 |r|
Cc1n[nH]c2ccc(O[C@@H]3CCc4cc(ccc34)C#N)cc12 |r|
Cc1n[nH]c2ccc(O[C@H]3CCCc4cc(ccc34)C#N)cc12 |r|
N#Cc1ccc2[C@H](CCc2c1)Oc1ccc2[nH]nc(-c3cnco3)c2c1 |r|
N#Cc1ccc2[C@H](CCCc2c1)Oc1ccc2[nH]nc(-c3cnco3)c2c1 |r|
N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3cnco3)c2c1 |r|
N#Cc1ccc2[C@H](CCCc2c1)Oc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1 |r|
Brc1n[nH]c2ccc(N[C@H]3CCCc4ccc(cc34)C#N)cc12 |r|
N#Cc1ccc2[C@H](CCc2c1)Nc1ccc2[nH]nc(-c3cnoc3)c2c1 |r|
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCOCC1
CCOc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCOCC1
CC(C)Nc1nc(Nc2ccc(cc2)C(=O)NCc2ccccc2)nc2ccsc12
CN1CCN(CC1)c2ccc(cc2F)Nc3nc4c(cc[nH]4)c(n3)Oc5cccc(c5)NC(=O)C=C
Cc1ccc(cc1C#Cc2cc3cn[nH]c3nc2)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CCC(C1)C(C)(C)O
CCC(Sc1ccc2nnc(-c3cccs3)n2n1)C(=O)N1CCCCC1
CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)NCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)ncc1C(F)(F)F
CNc1nc(N\N=C\c2cccc3ccccc23)nc(Nc2cccc(c2)C(F)(F)F)n1
CCOc1ccc(c(O)c1)-c1nc(N)ncc1-c1ccccc1OC
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
CC1(COC1)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl
C[C@]1(COC[C@@H]1O)N2CCC(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)C5CC5
Cn1cc(cn1)C(=O)Nc1cc2cc(C3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
C[C@]1(COC[C@@H]1O)N2CCC(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)[C@H]5C[C@@H]5c6cnn(c6)C
Cn1ccc(n1)[C@H]1C[C@@H]1C(=O)Nc1cc2cc(C3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
C[C@]1(COC[C@@H]1O)N1CCC(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3ccccn3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCC(CC1)c1cc2cc(NC(=O)C3CC33CC3)ncc2cc1Cl |r|
Cc1cc2cnc(NC(=O)C3CC33CC3)cc2cc1C1CCN(CC1)[C@]1(C)COC[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(C3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
COC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(C3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
C[C@]1(COC[C@@H]1O)N1CCC(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N2CCN(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)[C@H]5CC56CCOCC6
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
COc1ccc2cc1Nc1ncc(Cl)c(n1)NCCNC2=O
COc1ccc2cc1Nc1ncc(Cl)c(n1)NCCCNC2=O
COc1ccc2cc1Nc1ncc(Cl)c(n1)NCCCCNC2=O
CN1CCNc2nc(ncc2Cl)Nc2cc(ccc2F)C1=O
COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCN(C)C2=O
COc1ccc2cc1Nc1ncc(Cl)c(n1)NCCCN(C)C2=O
COc1cc2cc(c1)C(=O)N(C)CCCNc1nc(ncc1C(F)(F)F)N2
COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCN(C)C2=O
COc1c(F)cc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCN(C)C2=O
COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)N(C)CCCN(C)C2=O
COc1c(F)cc2cc1Nc1ncc(C(F)(F)F)c(n1)N(C)CCCN(C)C2=O
CC(C)Oc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCN(C)C2=O
CN1CCCN(C)c2nc(ncc2C(F)(F)F)Nc2cc(ccc2OC2CC2)C1=O
COc1cc2cc(c1)C(=O)N(C)CCCCNc1nc(ncc1Cl)N2
COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCCN(C)C2=O
COc1c(F)cc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCCN(C)C2=O
CN1CCCCNc2nc(ncc2C(F)(F)F)Nc2cc(ccc2OC(F)(F)F)C1=O
CO[C@@H]1CCN(c2cc(-n3ncc4ccc([C@]5(C)CC56CC6)cc43)ncn2)C1
Cc1cc(nc(C)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|
Cc1nc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)cs1
Cn1ccc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)n1
Cn1cc(-n2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc32)cn1
Cn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)COC5)CC4)cc32)cn1
CO[C@H]1C[C@H](n2cc(-n3ncc4cc(Cl)c(C5CCN(C6(C)COC6)CC5)cc43)cn2)C1
CC1(N2CCC(c3cc4c(cnn4-c4cnn(-c5ncc(F)cn5)c4)cc3Cl)CC2)COC1
COC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN(C7(C)COC7)CC6)cc54)cn3)(C1)C2
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C(F)F)(C5)C6)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C#N)(C5)C6)c4)cc3Cl)CC2)COC1
CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCOC1
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC[C@@H]1O
C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC[C@H]1O
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CN1C(=O)c2ccccc2N(C)c2nc(NCCc3cnc[nH]3)ncc21
CN1CCC(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)CC1
COc1cc(NCCN(C)C)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccc(F)cc1C(=O)N2C
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1cc(C)ccc1C(=O)N2C
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:1.1,3.2,wD:6.9,(33.48,-24.28,;32.15,-25.06,;32.16,-26.6,;30.81,-24.3,;29.48,-25.08,;28.15,-24.32,;28.13,-22.78,;29.46,-22.01,;30.8,-22.77,;26.79,-22.02,;26.78,-20.49,;25.47,-22.81,;24.13,-22.05,;24.12,-20.5,;22.78,-19.74,;21.45,-20.53,;21.46,-22.07,;22.8,-22.83,)|
CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F |t:1|
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)Nc1cccc2cnccc12
O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC