1997 SMILES Strings for Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]

Compound Name
SMILES String
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
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
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
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
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)C2CC3C[C@@H]3C2)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(C3CC4C[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(C3CC4[C@@H](C3)C4(F)F)c2Cl)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2Cl)C2CC3[C@@H](C2)C3(F)F)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(C3CC4[C@H](C3)C4(F)F)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)C2CC3[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
CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)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
CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br
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
CCNc1nc(Nc2cc(nn2C)C(C)(C)n2cccn2)ncc1C(F)(F)F
Cn1nc(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)n1cccn1
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)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
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,;4.71,7.73,;6.04,5.42,;6.04,6.96,)|
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(Nc2cnn(C3C[C@@H](C3)N3CCN(CC(F)F)CC3)c2C)ncc1C(F)(F)F |r,wD: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,;-1.62,-1.48,;-3.11,-1.87,;-3.51,-.39,;-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(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(nn2C2CC2)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
COc1ccc(Cn2nc3CCC(=O)N(C)c4nccc2c34)cc1
Cn1c2nccc3[nH]nc(c23)c2ccccc2c1=O
CCN1CCCc2n[nH]c3ccnc1c23
CCn1c2nccc3[nH]nc(c23)c2ccccc2c1=O
CC(C)N1CCCc2n[nH]c3ccnc1c23
O=c1n(C2CC2)c2nccc3[nH]nc(c23)c2ccccc12
CC(C)CN1CCCc2n[nH]c3ccnc1c23
CC(C)n1c2nccc3[nH]nc(c23)c2ccccc2c1=O
C1CC(C1)N1CCCc2n[nH]c3ccnc1c23
CC(C)Cn1c2nccc3[nH]nc(c23)c2ccccc2c1=O
C1CCC(C1)N1CCCc2n[nH]c3ccnc1c23
CCC(C)n1c2nccc3[nH]nc(c23)c2ccccc2c1=O
C(N1CCCc2n[nH]c3ccnc1c23)c1ccccc1
O=c1n(C2CCC2)c2nccc3[nH]nc(c23)c2ccccc12
CN1CCC(CC1)N1CCCc2n[nH]c3ccnc1c23
O=c1n(C2CCCC2)c2nccc3[nH]nc(c23)c2ccccc12
OCCN1CCCc2n[nH]c3ccnc1c23
O=c1n(-c2ccccc2)c2nccc3[nH]nc(c23)c2ccccc12
C1CC(CCO1)N1CCCc2n[nH]c3ccnc1c23
O=c1n(Cc2ccccc2)c2nccc3[nH]nc(c23)c2ccccc12
CC1CN(C2CCOCC2)c2nccc3[nH]nc(C1)c23
CN1CCC(CC1)n1c2nccc3[nH]nc(c23)c2ccccc2c1=O
CC(C)N1CCC(CC1)n1c2nccc3[nH]nc(c23)c2ccccc2c1=O
OCCn1c2nccc3[nH]nc(c23)c2ccccc2c1=O
O=c1n(C2CCOCC2)c2nccc3[nH]nc(c23)c2ccccc12
Fc1ccc2c(c1)c1n[nH]c3ccnc(n(C4CCOCC4)c2=O)c13
FC(F)(F)c1ccc2c(c1)c1n[nH]c3ccnc(n(C4CCOCC4)c2=O)c13
Fc1ccc2CN(C3CCOCC3)c3nccc4[nH]nc(-c2c1)c34
O=c1n(C2CCOCC2)c2nccc3[nH]nc(c4c[nH]nc14)c23
COc1ccc(Cn2nc3-c4cn(nc4CN(C4CCOCC4)c4nccc2c34)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
CC(C)N1CCC(CC1)N1Cc2nn(C)cc2-c2n[nH]c3ccnc1c23
Cn1cc-2c(CN(C3CCOCC3)c3nccc4[nH]nc-2c34)n1
CC(C)N1CCC(CC1)N1Cc2c(cnn2C)-c2n[nH]c3ccnc1c23
Cn1ncc-2c1CN(C1CCOCC1)c1nccc3[nH]nc-2c13
CCn1ncc-2c1CN(C1CCN(CC1)C(C)C)c1nccc3[nH]nc-2c13
CCn1cc-2c(CN(C3CCOCC3)c3nccc4[nH]nc-2c34)n1
CCn1cc-2c(CN(C3CCN(CC3)C(C)C)c3nccc4[nH]nc-2c34)n1
CCn1ncc-2c1CN(C1CCOCC1)c1nccc3[nH]nc-2c13
CC(C)N1CCC(CC1)N1Cc2c(cnn2C(C)C)-c2n[nH]c3ccnc1c23
CC(C)n1cc-2c(CN(C3CCOCC3)c3nccc4[nH]nc-2c34)n1
CC(C)N1CCC(CC1)N1Cc2nn(cc2-c2n[nH]c3ccnc1c23)C(C)C
CC(C)n1ncc-2c1CN(C1CCOCC1)c1nccc3[nH]nc-2c13
FC(F)(F)c1cc2-c3n[nH]c4ccnc(N(Cc2cn1)C1CCOCC1)c34
CCOC(=O)c1c(cnn1C(C)C)-c1nn(Cc2ccc(OC)cc2)c2ccnc(NC3CCN(C)CC3)c12
Cc1cc2-c3n[nH]c4ccnc(N(Cc2cn1)C1CCOCC1)c34
CC(C)n1cc-2c(CN(C3CCN(C)CC3)c3nccc4[nH]nc-2c34)n1
CCc1cc2-c3n[nH]c4ccnc(N(Cc2cn1)C1CCOCC1)c34
COCCN1CCC(CC1)N1Cc2c(cnn2C(C)C)-c2n[nH]c3ccnc1c23
CC(C)c1cc2-c3n[nH]c4ccnc(N(Cc2cn1)C1CCOCC1)c34
CN1CCN(C2CCOCC2)c2nccc3[nH]nc1c23
CCN1CCN(C2CCOCC2)c2nccc3[nH]nc1c23
Cc1nc(sc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1nc[nH]n1
CNc1nc(Nc2sc(nc2C)C2(CC2)C#N)ncc1C(F)(F)F
Cc1nc(sc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1(CC1)c1nc[nH]n1
CCNc1nc(Nc2sc(nc2C)C(=O)N2CCC(F)(F)C2)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2C)C(=O)N2CC3CCC(C2)O3)ncc1C(F)(F)F
CNc1nc(Nc2cn(C)c(C#N)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(Cc3ccn(C)n3)c(C#N)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(c(C#N)c2C)S(C)(=O)=O)ncc1C(F)(F)F
CNc1nc(Nc2sc(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
CNc1nc(Nc2sc(nc2C)C(C)(C)C(N)=O)ncc1C(F)(F)F
CNc1nc(Nc2sc(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2C)C(=O)N2CCOCC2)ncc1C(F)(F)F
CNc1nc(Nc2sc(nc2Cl)C(C)(C)C(N)=O)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2C)C(C)(C)C(N)=O)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2C)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2C)C(=O)NC)ncc1C(F)(F)F
Cc1nc(sc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)C(N)=O
Cc1nc(sc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)C(N)=O
Cc1nc(sc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1nnn(C)n1
CCNc1nc(Nc2sc(nc2C)C2(CC2)C#N)ncc1C(F)(F)F
CC(C)(C(N)=O)c1nc(Cl)c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)s1
CNc1nc(Nc2sc(nc2Cl)C(C)(C)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2Cl)C(C)(C)C(N)=O)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2Cl)C(C)(C)C(N)=O)ncc1Br
COc1nc(Nc2sc(nc2Cl)C(C)(C)C(N)=O)ncc1Br
CC(C)(C(N)=O)c1nc(Cl)c(Nc2ncc(c(NCC(F)F)n2)C(F)(F)F)s1
CC(C)(C(N)=O)c1nc(Cl)c(Nc2ncc(Br)c(NC3CC3)n2)s1
CNc1nc(Nc2sc(nc2Cl)C2(C)CCNC2=O)ncc1C(F)(F)F
CNc1nc(Nc2sc(nc2Cl)C2(C)CCN(C)C2=O)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2Cl)C2(C)CCN(C)C2=O)ncc1C(F)(F)F
COc1nc(Nc2sc(nc2Cl)C2(C)CCNC2=O)ncc1Br
CCNc1nc(Nc2sc(nc2Cl)C(C)(C)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2sc(nc2C2CC2)C2(C)CCNC2=O)ncc1C(F)(F)F
COc1nc(Nc2sc(nc2C2CC2)C2(C)CCNC2=O)ncc1Br
CNc1nc(Nc2sc(nc2C2CC2)C2(C)CCNC2=O)ncc1C(F)(F)F
CNc1nc(Nc2sc(nc2C2CC2)C(C)(C)C#N)ncc1C(F)(F)F
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|
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|
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|
CNc1cc(Nc2cc(nn2C2CC2)[C@]23C[C@H]2COC3=O)ccc1C(F)(F)F |r|
CCNc1nc(Nc2cc(nn2C)C23C[C@@H]2COC3=O)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#C)ncc1Br |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|
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|
CC1(C)CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)C1
CN1CC(n2c(nc3cnc4ccc(cc4c23)C#N)C2CCC(F)C2)C(F)(F)C1
Cc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N)N1CC[C@H](O)[C@H](F)C1 |r|
Cc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N)N1CC[C@@H](O)[C@@H](F)C1 |r|
Cc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N)N1CC2(CC1C2)C(C)(C)O |(-1.94,-2.7,;-.85,-1.61,;.64,-2.01,;1.73,-.92,;1.33,.57,;-.16,.97,;-1.25,-.12,;-.56,2.45,;.35,3.7,;-.56,4.95,;-2.02,4.47,;-3.35,5.24,;-4.69,4.47,;-4.69,2.93,;-3.35,2.16,;-2.02,2.93,;-6.02,2.16,;-7.4,1.47,;-6.71,.09,;-7.86,-.93,;-6.4,-1.42,;-5.33,.78,;-6.42,3.65,;-6.82,5.13,;3.22,-1.32,;3.81,-2.74,;5.34,-2.62,;5.7,-1.12,;4.39,-.32,;4.39,-1.86,;6.34,-3.79,;7.86,-3.51,;7.34,-4.96,;5.83,-5.24,)|
O[C@H]1CCN(C[C@@H]1F)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
OCC12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |(6.59,-5.24,;7.1,-3.79,;6.1,-2.62,;6.46,-1.12,;5.14,-.32,;5.14,-1.86,;3.97,-1.32,;4.56,-2.74,;2.49,-.92,;2.09,.57,;.6,.97,;-.49,-.12,;-.09,-1.61,;1.4,-2.01,;.2,2.45,;1.11,3.7,;.2,4.95,;-1.26,4.47,;-2.6,5.24,;-3.93,4.47,;-3.93,2.93,;-2.6,2.16,;-1.26,2.93,;-5.26,2.16,;-6.64,1.47,;-5.95,.09,;-7.1,-.93,;-5.64,-1.42,;-4.57,.78,;-5.66,3.65,;-6.06,5.13,)|
OC[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
COCC12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |(8.16,-4.04,;8.16,-2.5,;6.82,-1.73,;5.4,-2.32,;5.04,-3.82,;3.51,-3.94,;3.95,-2.45,;2.92,-2.52,;4.09,-1.52,;1.43,-2.12,;1.03,-.63,;-.46,-.23,;-1.55,-1.32,;-1.15,-2.81,;.34,-3.21,;-.86,1.25,;.05,2.5,;-.86,3.75,;-2.32,3.27,;-3.65,4.04,;-4.99,3.27,;-4.99,1.73,;-3.65,.96,;-2.32,1.73,;-6.32,.96,;-7.7,.27,;-7.01,-1.11,;-8.16,-2.13,;-6.69,-2.62,;-5.63,-.42,;-6.72,2.45,;-7.11,3.93,)|
OC[C@@H]1CN(CCO1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
CN1CCN(CC1CO)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N
C[C@H]1CN(C[C@@H](C)[C@@]1(C)O)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2cnc(cc12)C1(CC2(CC2)C1)C#N |(6.98,-.25,;6.78,-1.78,;8.2,-1.19,;8,-2.72,;5.36,-2.37,;5,-3.87,;3.46,-3.99,;3.9,-2.5,;2.87,-2.57,;4.04,-1.57,;1.38,-2.17,;.99,-.68,;-.5,-.28,;-1.59,-1.37,;-1.19,-2.86,;.3,-3.26,;-.9,1.2,;.01,2.45,;-.9,3.7,;-2.36,3.22,;-3.7,3.99,;-5.03,3.22,;-5.03,1.68,;-3.7,.91,;-2.36,1.68,;-6.37,.91,;-7.74,.22,;-7.05,-1.16,;-8.2,-2.18,;-6.74,-2.67,;-5.67,-.47,;-6.76,2.4,;-7.16,3.88,)|
CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2cnc(cc12)C1(CC2(CC2)C1)C#N |r|
COCc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N)N1CC2(CC1C2)C(C)(C)O |(-2.97,-5.26,;-1.88,-4.17,;-2.28,-2.68,;-1.19,-1.59,;.3,-1.99,;1.38,-.9,;.99,.59,;-.5,.98,;-1.59,-.1,;-.9,2.47,;.01,3.72,;-.9,4.96,;-2.36,4.49,;-3.7,5.26,;-5.03,4.49,;-5.03,2.95,;-3.7,2.18,;-2.36,2.95,;-6.37,2.18,;-7.74,1.49,;-7.05,.11,;-8.2,-.91,;-6.74,-1.4,;-5.67,.8,;-6.76,3.67,;-7.16,5.15,;2.87,-1.3,;4.04,-.3,;5.36,-1.1,;5,-2.6,;3.46,-2.72,;3.9,-1.23,;6.78,-.51,;6.98,1.01,;8.2,.08,;8,-1.45,)|
COCc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N)N1CCN(C2COC2)[C@@H](C)C1 |r|
CC(C)(O)C1CN(CC1F)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N
CC(C)(O)C1CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N
CC1(O)CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N
COC1(C)CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N
OC1(CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N)C1CC1
CN1CCOC2(CN(C2)c2cc(ncn2)-n2ncc3ccc(cc23)C2(CC3(CC3)C2)C#N)C1
CN1CCOC2CN(CC12)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N
C[C@H]1CN(CCO1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
CC(C)(O)[C@@H]1CN(CCO1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
N#CC1(CC2(CC2)C1)c1ccc2cnn(-c3cc(ncn3)N3CCC(CC3)C3COC3)c2c1
N#CC1(CC2(CC2)C1)c1ccc2cnn(-c3cc(ncn3)N3CCN4CCOC[C@@H]4C3)c2c1 |r|
N#CC1(CC2(CC2)C1)c1ccc2cnn(-c3cc(ncn3)N3CCN4CCOC[C@H]4C3)c2c1 |r|
Cc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N)N1CCN2CCOC[C@@H]2C1 |r|
[H][C@]12COCCN1CCN(C2)c1cc(nc(C)n1)-n1ncc2cnc(cc12)C1(CC2(CC2)C1)C#N |r|
N#CC1(CC2(CC2)C1)c1cc2n(ncc2cn1)-c1cc(ncn1)N1CCN2CCOC[C@@H]2C1 |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(Cl)c(n1)C1CC1)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(C#N)c(n1)C1CC1)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(c(n1)C1=CCCC1)C(F)(F)F)C(C)(C)C#N |t:15|
Cn1nc(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)S(C)(=O)=O
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1ncn(C)n1
Cc1nn(cc1Nc1ncc(c(n1)-c1cnn(C)c1)C(F)(F)F)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(c(n1)C1CCCC1)C(F)(F)F)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(c(n1)C1CCC1)C(F)(F)F)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(c(n1)[C@@H]1C[C@H]1F)C(F)(F)F)C(C)(C)C#N |r|
Cc1nn(cc1Nc1ncc(c(n1)[C@H]1C[C@@H]1F)C(F)(F)F)C(C)(C)C#N |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1COC1
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1C1COC1
CC(C)(C#N)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(Cl)n1
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1CC(C)(C)O
Cc1nn(CC(C)(C)O)cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F
CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c1C
CC(=O)N1CCC(CC1)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(C)n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1ccnn1C
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1ccn(C)n1
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1C1CCOCC1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1CCOCC1
CN1CC(CCC1=O)n1ncc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c1C
CN1CC(CCC1=O)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(C)n1
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1C(CF)CF
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(CF)CF
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1CCF
Cc1nn(CCF)cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F
Cc1nn(cc1Nc1ncc(Cl)c(n1)C1CCC1)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(Cl)c(n1)C1CC1)C(C)(C)c1ccnn1C
Cc1nn(cc1Nc1ncc(Cl)c(n1)C1CC1)C(C)(C)c1ccn(C)c1
Cc1nn(cc1Nc1ncc(Cl)c(n1)C1CC1)C(C)(C)c1ncn(C)n1
Cn1cnc(n1)C(C)(C)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(Cl)n1
Cn1ncnc1C(C)(C)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(Cl)n1
Cc1nn(cc1Nc1ncc(c(n1)C1(F)CC1)C(F)(F)F)C(C)(C)C#N
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1cn(C)nn1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1cnn(C)n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1(CCC1)c1ncn(C)n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1(CCC1)c1ncnn1C
Cc1c(Nc2ncc(Cl)c(n2)C2CC2)cnn1C(CF)CF
Cc1nn(cc1Nc1ncc(Cl)c(n1)C1CC1)C(CF)CF
FCC(CF)n1ncc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c1Cl
FCC(CF)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(Cl)n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1(CC1)C#N
F[C@H]1CN(CC[C@@H]1n1ncc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c1Cl)C1COC1 |r|
C[C@@]1(O)CCCC1n1ncc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c1Cl |r|
C[C@]1(O)CCCC1n1ncc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c1Cl |r|
CCn1cnc(n1)C(C)(C)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(C)n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1(CC1)c1ncn(C)n1
Cc1nn(cc1Nc1ncc(Br)c(n1)C1CC1)C(C)(C)c1ncn(C)n1
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1Cc1ccn(C)n1
Cc1nn(Cc2ccn(C)n2)cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1cn(C)cn1
CC(C)(O)Cn1ncc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c1Cl
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1nc[nH]n1
CCN1CC(CCC1=O)n1ncc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c1C
CCN1CC(CCC1=O)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(C)n1
FC(F)(F)c1cnc(Nc2cnn(CC3(CN4CCOCC4)CC3)c2Cl)nc1C1CC1
FC(F)(F)c1cnc(Nc2cnn([C@H]3CN(CCC3(F)F)C3COC3)c2Cl)nc1C1CC1 |r|
FC(F)(F)c1cnc(Nc2cnn([C@@H]3CN(CCC3(F)F)C3COC3)c2Cl)nc1C1CC1 |r|
Cn1cnc(n1)C(C)(C)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(CO)n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1ccn[nH]1
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1C1CC2C(C1)C2c1ncnn1C |(-2.92,1.72,;-1.43,1.32,;-.19,2.22,;-.19,3.76,;1.15,4.53,;1.15,6.07,;2.48,6.84,;3.86,6.1,;3.82,4.53,;2.48,3.76,;5.15,3.76,;5.92,2.43,;6.69,3.76,;5.2,6.87,;6.53,7.64,;5.97,5.54,;4.43,8.21,;1.06,1.32,;.58,-.15,;-.96,-.15,;-1.73,-1.48,;-3.27,-1.48,;-3.74,-2.94,;-2.5,-3.85,;-1.25,-2.94,;-3.9,-4.47,;-4.67,-5.81,;-6.21,-5.81,;-6.69,-7.27,;-5.44,-8.18,;-4.2,-7.27,;-2.71,-7.67,)|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1CC2C(C1)C2c1ncn(C)n1 |(2.55,2.49,;1.06,2.09,;.58,.62,;-.96,.62,;-1.43,2.09,;-.19,2.99,;-.19,4.53,;1.15,5.3,;1.15,6.84,;2.48,7.61,;3.81,6.84,;3.82,5.3,;2.48,4.53,;5.15,4.53,;5.92,3.2,;6.69,4.53,;5.15,7.61,;6.48,8.38,;5.92,6.28,;4.38,8.95,;-1.73,-.71,;-3.27,-.71,;-3.74,-2.17,;-2.5,-3.08,;-1.25,-2.17,;-3.9,-3.7,;-4.67,-5.04,;-6.21,-5.04,;-6.69,-6.5,;-5.44,-7.41,;-5.44,-8.95,;-4.2,-6.5,)|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1CC2C(C1)C2c1ncnn1C |(2.55,1.72,;1.06,1.32,;.58,-.15,;-.96,-.15,;-1.43,1.32,;-.19,2.22,;-.19,3.76,;1.15,4.53,;1.15,6.07,;2.48,6.84,;3.81,6.07,;3.82,4.53,;2.48,3.76,;5.15,3.76,;5.92,2.43,;6.69,3.76,;5.15,6.84,;6.48,7.61,;5.92,5.51,;4.38,8.18,;-1.73,-1.48,;-3.27,-1.48,;-3.74,-2.94,;-2.5,-3.85,;-1.25,-2.94,;-3.9,-4.47,;-4.67,-5.81,;-6.21,-5.81,;-6.69,-7.27,;-5.44,-8.18,;-4.2,-7.27,;-2.71,-7.67,)|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1cn[nH]n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1ncnn1C(F)F
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(C)(C)c1ncn(n1)C(F)F
Cc1nnc(o1)C(C)(C)n1cc(Nc2ncc(c(n2)C2CC2)C(F)(F)F)c(C)n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(F)(F)c1ncn(C)n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(F)(F)c1ncnn1C
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(F)(F)c1nc[nH]n1
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@@H]1CCn2ccnc12
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@H]1CCn2ccnc12
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1C1C[C@@H](C1)c1ncnn1C |r,wU:22.27,(-.08,1.16,;-1.57,.76,;-2.81,1.67,;-2.81,3.21,;-1.48,3.98,;-1.48,5.52,;-.15,6.29,;1.19,5.52,;1.19,3.98,;-.15,3.21,;2.52,3.21,;3.29,1.88,;4.06,3.21,;2.52,6.29,;3.85,7.06,;3.29,4.96,;1.75,7.62,;-4.06,.76,;-3.58,-.7,;-2.04,-.7,;-1.27,-2.03,;-1.67,-3.52,;-.19,-3.92,;.21,-2.43,;.58,-5.25,;2.12,-5.25,;2.6,-6.72,;1.35,-7.62,;.11,-6.72,;-1.38,-7.12,)|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1C[C@@H](C1)c1ncnn1C |r,wU:22.27,(2.15,1.16,;.66,.76,;.19,-.7,;-1.35,-.7,;-1.83,.76,;-.58,1.67,;-.58,3.21,;.75,3.98,;.75,5.52,;2.08,6.29,;3.42,5.52,;3.42,3.98,;2.08,3.21,;4.75,3.21,;5.52,1.88,;6.29,3.21,;4.75,6.29,;6.09,7.06,;5.52,4.96,;3.98,7.62,;-2.12,-2.03,;-3.61,-2.43,;-3.21,-3.92,;-1.72,-3.52,;-3.98,-5.25,;-3.51,-6.72,;-4.75,-7.62,;-6,-6.72,;-5.52,-5.25,;-6.29,-3.92,)|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@@H]1CCn2cnnc12
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@H]1CCn2cnnc12
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1[C@@H]1CCc2cn[nH]c12 |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@@H]1CCNC1=O |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@H]1CCNC1=O |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C(F)(F)C(N)=O
CC1=C(Cn2cc(Nc3ncc(c(n3)C3CC3)C(F)(F)F)c(C)n2)C=CC1[C@@H]1CCNC1=O |r,c:1,27|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@@H]1CCc2cn[nH]c12 |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@H]1CCc2cn[nH]c12 |r|
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1[C@H]1CCNC1=O |r|
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1[C@H]1CCc2cn[nH]c12 |r|
Cc1c(Nc2ncc(c(n2)C2CC2)C(F)(F)F)cnn1C1(C)CCNC1=O
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@@]1(C)CCNC1=O |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@]1(C)CCNC1=O |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@](C)(C(F)F)C(N)=O |r|
Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)[C@@](C)(C(F)F)C(N)=O |r|
CNc1nc(Nc2cnn(C)c2C)nc2[nH]cc(Cl)c12
CCNc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cc(Cl)c12
CCOc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cc(Cl)c12
CNc1nc(Nc2cn(C)nc2C)nc2[nH]cc(Cl)c12
COc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cc(Cl)c12
CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cc(Cl)c12
COc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cnc12
COc1nc(Nc2cnn(C)c2C)nc2[nH]cc(Cl)c12
COc1nc(Nc2cn(C)nc2C)nc2[nH]cc(Cl)c12
CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cc(F)c12
COc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cc(F)c12
CCOc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cnc12
COc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cc(C3CC3)c12
COc1nc(Nc2cn(nc2C)C(C)(C)C#N)nc2[nH]cc(c12)C(F)(F)F
Cc1nn(cc1Nc1nc(C2CC2)c2nc[nH]c2n1)C(CF)CF
Cc1c(Nc2nc(C3CC3)c3nc[nH]c3n2)cnn1C(CF)CF
Cc1cn(nc1Nc1nc(C2CC2)c2nc[nH]c2n1)C(F)F
Cc1c(Nc2nc(C3CC3)c3nc[nH]c3n2)cnn1C(F)F
Cc1c(Nc2nc(C3CC3)c3nc[nH]c3n2)cnn1C
Cc1nn(C)cc1Nc1nc(C2CC2)c2nc[nH]c2n1
Cc1c(Nc2nc(C3CC3)c3nc[nH]c3n2)cnn1CC1CC1
C1CC1c1nc(Nc2cnn3CC4(CC4)Cc23)nc2[nH]cnc12
Cc1nn(cc1Nc1nc(C2CC2)c2nc[nH]c2n1)C(C)(C)C#N
Cc1nn(cc1Nc1nc(C2CC2)c2c(c[nH]c2n1)C#N)C(C)(C)C#N
Cc1c(Nc2nc(C3CC3)c3c(c[nH]c3n2)C#N)cnn1C(CF)CF
Cc1nn(cc1Nc1nc(C2CC2)c2c(c[nH]c2n1)C#N)C(CF)CF
N#Cc1c[nH]c2nc(Nc3cnn4CC5(CC5)Cc34)nc(C3CC3)c12
Cc1nn(cc1Nc1nc(C2CC2)c2c(F)c[nH]c2n1)C(C)(C)C#N
Cc1nn(C)cc1Nc1nc(C2CC2)c2c(C#N)c(C)[nH]c2n1
Cc1[nH]c2nc(Nc3cnn(C)c3C)nc(C3CC3)c2c1C#N
Cn1ccc(Nc2cc(C3CC3)c3nc[nH]c3n2)n1
Cc1c(Nc2nc(C3CC3)c3c(c[nH]c3n2)C#N)cnn1C
Cc1nn(C)cc1Nc1nc(C2CC2)c2c(c[nH]c2n1)C#N
Cc1cn(C)nc1Nc1cc(C2CC2)c2c(c[nH]c2n1)C#N
Cn1ccc(Nc2cc(C3CC3)c3c(c[nH]c3n2)C#N)n1
Cc1nn(cc1Nc1nc(C2CC2)c2c(Cl)c[nH]c2n1)C(C)(C)C#N
Cc1nn(cc1Nc1nc(C2CC2)c2cc[nH]c2n1)C(C)(C)C#N
Cc1nn(C)cc1Nc1nc(C2CC2)c2cc[nH]c2n1
Cc1c(Nc2nc(C3CC3)c3cc[nH]c3n2)cnn1C
Cc1nn(cc1Nc1nc(C2CC2)c2c(c[nH]c2n1)C#N)C(C)(C)c1ncn(C)n1
Cc1nn(cc1Nc1nc(C2CC2)c2cc[nH]c2n1)C(C)(C)c1ncn(C)n1
Cc1nn(cc1Nc1nc(C2CC2)c2c(Cl)c[nH]c2n1)C(C)(C)c1ncn(C)n1
Cc1nn(cc1Nc1nc(C2CC2)c2c(F)c[nH]c2n1)C(C)(C)c1ncn(C)n1
Cc1nn(cc1Nc1nc(C2CC2)c2cc[nH]c2n1)C(CF)CF
Cc1c(Nc2nc(C3CC3)c3cc[nH]c3n2)cnn1C(CF)CF
Cc1c(Nc2nc(C3CC3)c3c(Cl)c[nH]c3n2)cnn1C(CF)CF
Cc1nc2c(nc(Nc3cnn(C)c3C)nc2[nH]1)C1CC1
Cc1nc2c(nc(Nc3cn(C)nc3C)nc2[nH]1)C1CC1
Cc1cn(C)nc1Nc1cc(C2CC2)c2nc[nH]c2n1
Cc1nn(cc1Nc1nc(C2CC2)c2nc[nH]c2n1)C1(C)CC1
Cc1nn(cc1Nc1nc(C2CC2)c2nc[nH]c2n1)C(C)(C)c1ccn(C)n1
Clc1c(Nc2nc(C3CC3)c3nc[nH]c3n2)cnn1CC1CC1
Cc1c(Nc2nc(C3CC3)c3c(c[nH]c3n2)C#N)cnn1C(F)F
Cc1nn(cc1Nc1nc(C2CC2)c2c(c[nH]c2n1)C#N)C(F)F
Cc1nn(cc1Nc1nc(C2CC2)c2c(c[nH]c2n1)C1CC1)C(C)(C)C#N
Cc1nn(cc1Nc1nc(C2CC2)c2c(c[nH]c2n1)C(F)(F)F)C(C)(C)C#N
Cc1c(Nc2nc(C3CC3)c3c(c[nH]c3n2)C#N)cnn1C1CC2CC2C1
Cc1nn(cc1Nc1nc(C2CC2)c2c(c[nH]c2n1)C#N)C1CC2CC2C1
Cc1c(Nc2nc(C3CC3)c3nc[nH]c3n2)cnn1C1CC2CC2C1
Cc1nn(cc1Nc1nc(C2CC2)c2nc[nH]c2n1)C1CC2CC2C1
Cc1c(Nc2nc(C3CC3)c3c(c[nH]c3n2)C#N)cnn1CCOC(F)F
Cc1c(Nc2nc(C3CC3)c3nc[nH]c3n2)cnn1CCOC(F)F
Cc1c(Nc2nc(C3CC3)c3nc[nH]c3n2)cnn1C1CC1
Cc1nn(cc1Nc1nc(C2CC2)c2nc[nH]c2n1)C1CC1
Cc1nn(CC2CC2)cc1Nc1nc(C2CC2)c2nc[nH]c2n1
Cc1c(Nc2cc(C3CC3)c3c(c[nH]c3n2)C#N)cnn1C1CC1
Cc1nn(cc1Nc1cc(C2CC2)c2c(c[nH]c2n1)C#N)C1CC1
Cc1nn(cc1Nc1nc(C2CC2)c2c(Cl)c[nH]c2n1)C(CF)CF
CNc1nc(Nc2cn(CC3(CC#N)CC3)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C3CCn4ccnc34)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)[C@@H]2CCn3ccnc23)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)[C@H]2CCn3ccnc23)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(CC3(Cn4cncn4)CC3)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CC3(Cn4cncn4)CC3)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C3CCc4nnc(C)n4C3)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2CCc3nnc(C)n3C2)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CCOC(F)F)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(CCOC(F)F)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CCOC(F)F)c2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CC3(COC)CC3)c2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(F)(F)C#N)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C(F)(F)C(N)=O)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(CCOC(F)F)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(CCOC(F)F)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CC(C)OC(F)F)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(CC(C)OC(F)F)nc2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C[C@@H](C)OC(F)F)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(C[C@@H](C)OC(F)F)nc2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)C(C)COC(F)F)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(C3CCn4ccnc34)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)[C@@H]2CCn3ccnc23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2C)C2CCn3ccnc23)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C3C[C@@H](C3)OC(F)F)c2C)ncc1C(F)(F)F |r,wU:12.14,(3.7,1.72,;3.7,3.26,;2.37,4.03,;1.03,3.26,;-.3,4.03,;-1.63,3.26,;-1.63,1.72,;-.39,.81,;-.86,-.65,;-2.4,-.65,;-3.17,-1.99,;-4.66,-2.39,;-4.26,-3.87,;-2.78,-3.48,;-5.03,-5.21,;-4.26,-6.54,;-5.03,-7.88,;-2.72,-6.54,;-2.88,.81,;-4.37,1.21,;-.3,5.57,;1.03,6.34,;2.37,5.57,;3.7,6.34,;5.03,5.57,;3.7,7.88,;5.03,7.11,)|
CNc1nc(Nc2cn(nc2C)C2C[C@@H](C2)OC(F)F)ncc1C(F)(F)F |r,wU:14.17,(3.7,1.72,;3.7,3.26,;2.37,4.03,;1.03,3.26,;-.3,4.03,;-1.63,3.26,;-1.63,1.72,;-2.88,.81,;-2.4,-.65,;-.86,-.65,;-.39,.81,;1.1,1.21,;-3.17,-1.99,;-4.66,-2.39,;-4.26,-3.87,;-2.78,-3.48,;-5.03,-5.21,;-4.26,-6.54,;-5.03,-7.88,;-2.72,-6.54,;-.3,5.57,;1.03,6.34,;2.37,5.57,;3.7,6.34,;5.03,5.57,;3.7,7.88,;5.03,7.11,)|
CNc1nc(Nc2cn(nc2C)[C@@H]2C[C@@H](C2)n2cccn2)ncc1C(F)(F)F |r,wD:12.12,14.17,(3.37,1.57,;3.37,3.11,;2.03,3.88,;.7,3.11,;-.63,3.88,;-1.97,3.11,;-1.97,1.57,;-.72,.66,;-1.2,-.8,;-2.74,-.8,;-3.21,.66,;-4.7,1.06,;-.43,-2.14,;1.06,-2.54,;.66,-4.02,;-.83,-3.62,;1.43,-5.36,;.96,-6.82,;2.2,-7.73,;3.45,-6.82,;2.97,-5.36,;-.63,5.42,;.7,6.19,;2.03,5.42,;3.37,6.19,;4.7,5.42,;3.37,7.73,;4.7,6.96,)|
CNc1nc(Nc2cn(nc2C)[C@H]2C[C@H](C2)S(C)(=O)=O)ncc1C(F)(F)F |r,wD:12.12,14.17,(3.37,1.05,;3.37,2.59,;2.03,3.36,;.7,2.59,;-.63,3.36,;-1.97,2.59,;-1.97,1.05,;-.72,.14,;-1.2,-1.32,;-2.74,-1.32,;-3.21,.14,;-4.7,.54,;-.43,-2.65,;-.83,-4.14,;.66,-4.54,;1.06,-3.05,;1.43,-5.87,;2.2,-7.21,;2.77,-5.1,;.1,-6.64,;-.63,4.9,;.7,5.67,;2.03,4.9,;3.37,5.67,;4.7,4.9,;3.37,7.21,;4.7,6.44,)|
CNc1nc(Nc2cnn([C@H]3C[C@H](CC#N)C3)c2C)ncc1C(F)(F)F |r,wU:12.12,wD:10.9,(5.24,.38,;5.24,1.92,;3.91,2.69,;2.57,1.92,;1.24,2.69,;-.09,1.92,;-.09,.38,;1.15,-.52,;.68,-1.99,;-.86,-1.99,;-1.63,-3.32,;-3.12,-3.72,;-2.72,-5.21,;-3.49,-6.54,;-5.03,-6.54,;-6.57,-6.54,;-1.24,-4.81,;-1.34,-.52,;-2.83,-.12,;1.24,4.23,;2.57,5,;3.91,4.23,;5.24,5,;6.57,4.23,;5.24,6.54,;6.57,5.77,)|
CNc1nc(Nc2cn(nc2C)[C@H]2C[C@H](CC#N)C2)ncc1C(F)(F)F |r,wU:14.15,wD:12.12,(3.37,1.72,;3.37,3.26,;2.03,4.03,;.7,3.26,;-.63,4.03,;-1.97,3.26,;-1.97,1.72,;-.72,.81,;-1.2,-.65,;-2.74,-.65,;-3.21,.81,;-4.7,1.21,;-.43,-1.99,;-.83,-3.48,;.66,-3.87,;1.43,-5.21,;.66,-6.54,;-.11,-7.88,;1.06,-2.39,;-.63,5.57,;.7,6.34,;2.03,5.57,;3.37,6.34,;4.7,5.57,;3.37,7.88,;4.7,7.11,)|
CNc1nc(Nc2cnn(C3C[C@H](COC(F)F)C3)c2C)ncc1C(F)(F)F |r,wU:12.12,(5.63,1.72,;5.63,3.26,;4.29,4.03,;2.96,3.26,;1.62,4.03,;.29,3.26,;.29,1.72,;1.54,.81,;1.06,-.65,;-.48,-.65,;-1.25,-1.99,;-2.74,-2.39,;-2.34,-3.87,;-3.11,-5.21,;-4.65,-5.21,;-5.42,-6.54,;-6.96,-6.54,;-4.65,-7.88,;-.85,-3.48,;-.96,.81,;-2.44,1.21,;1.62,5.57,;2.96,6.34,;4.29,5.57,;5.63,6.34,;6.96,5.57,;5.63,7.88,;6.96,7.11,)|
CNc1nc(Nc2cn(nc2C)C2C[C@H](COC(F)F)C2)ncc1C(F)(F)F |r,wU:14.15,(3.37,2.38,;3.37,3.92,;2.03,4.69,;.7,3.92,;-.63,4.69,;-1.97,3.92,;-1.97,2.38,;-.72,1.48,;-1.2,.01,;-2.74,.01,;-3.21,1.48,;-4.7,1.88,;-.43,-1.32,;-.83,-2.81,;.66,-3.21,;1.43,-4.54,;.66,-5.87,;1.43,-7.21,;.66,-8.54,;2.97,-7.21,;1.06,-1.72,;-.63,6.23,;.7,7,;2.03,6.23,;3.37,7,;4.7,6.23,;3.37,8.54,;4.7,7.77,)|
CNc1nc(Nc2cnn(CC3(CC#N)CC3)c2Cl)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2CCCn3ccnc23)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2CCc3c(C)noc23)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2CCn3nccc23)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2CCc3c2cnn3C)ncc1C(F)(F)F
CCSc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Cl
CCSc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
CSc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
CCSc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C#N
CNc1nc(Nc2cnn(C(C)COC(F)F)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn(C3C[C@@H](C3)n3cccn3)c2C)ncc1C(F)(F)F |r,wD:12.14,(4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-1.77,-3.52,;-3.26,-3.92,;-3.65,-2.43,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;5.48,4.96,;3.94,7.62,)|
CNc1nc(Nc2cnn([C@H]3C[C@H](C3)S(C)(=O)=O)c2C)ncc1C(F)(F)F |r,wD:10.9,12.14,(4.6,1.11,;4.6,2.65,;3.27,3.42,;1.94,2.65,;.6,3.42,;-.73,2.65,;-.73,1.11,;.51,.2,;.04,-1.26,;-1.5,-1.26,;-2.27,-2.6,;-3.76,-3,;-3.36,-4.48,;-1.87,-4.08,;-4.45,-5.57,;-4.85,-7.06,;-5.94,-5.97,;-5.22,-4.24,;-1.98,.2,;-3.46,.6,;.6,4.96,;1.94,5.73,;3.27,4.96,;4.6,5.73,;5.94,6.5,;5.37,4.39,;3.83,7.06,)|
CNc1nc(Nc2cnn(C3CCc4c3cnn4C)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)[C@@H]2CCc3ncsc23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3nccn3)c2C)ncc1C(F)(F)F |r,wU:11.10,wD:13.15,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-1.77,-3.52,;-3.26,-3.92,;-3.65,-2.43,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3cncn3)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.53,1.88,;4.99,1.88,;4.22,3.21,;2.89,3.98,;1.55,3.21,;.22,3.98,;-1.11,3.21,;-1.11,1.67,;.13,.76,;-.34,-.7,;-1.88,-.7,;-2.65,-2.03,;-4.14,-2.43,;-3.74,-3.92,;-2.26,-3.52,;-4.51,-5.25,;-6.05,-5.25,;-6.53,-6.72,;-5.28,-7.62,;-4.04,-6.72,;-2.36,.76,;-3.85,1.16,;.22,5.52,;1.55,6.29,;2.89,5.52,;4.22,6.29,;5.55,7.06,;3.45,7.62,;4.99,4.96,)|
CCNc1nc(Nc2cn(nc2C)[C@@H]2Cc3nccn3C2)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3ncnc3C(F)(F)F)c2C)ncc1C(F)(F)F |r,wU:13.15,wD:11.10,(6.86,.9,;5.52,1.67,;5.52,3.21,;4.19,3.98,;2.85,3.21,;1.52,3.98,;.19,3.21,;.19,1.67,;1.43,.76,;.96,-.7,;-.58,-.7,;-1.35,-2.03,;-2.84,-2.43,;-2.44,-3.92,;-.95,-3.52,;-3.21,-5.25,;-2.74,-6.72,;-3.98,-7.62,;-5.23,-6.72,;-4.75,-5.25,;-5.52,-3.92,;-6.29,-2.59,;-4.19,-3.15,;-6.86,-4.69,;-1.06,.76,;-2.55,1.16,;1.52,5.52,;2.85,6.29,;4.19,5.52,;5.52,6.29,;6.86,7.06,;4.75,7.62,;6.29,4.96,)|
Cc1c(Nc2ncc(c(NCC(F)F)n2)C(F)(F)F)cnn1[C@@H]1C[C@@H](C1)n1cccn1 |r,wU:22.23,24.28,(-4.03,1.16,;-2.54,.76,;-1.29,1.67,;-1.29,3.21,;.04,3.98,;.04,5.52,;1.37,6.29,;2.71,5.52,;2.71,3.98,;4.04,3.21,;4.04,1.67,;5.37,.9,;5.37,-.64,;6.71,1.67,;1.37,3.21,;4.04,6.29,;5.37,7.06,;3.27,7.62,;4.81,4.96,;-.05,.76,;-.52,-.7,;-2.06,-.7,;-2.83,-2.03,;-4.32,-2.43,;-3.92,-3.92,;-2.44,-3.52,;-4.69,-5.25,;-6.23,-5.25,;-6.71,-6.72,;-5.46,-7.62,;-4.22,-6.72,)|
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cc(F)cn3)c2C)ncc1C(F)(F)F |r,wU:12.14,wD:10.9,(5.45,1.67,;5.45,3.21,;4.12,3.98,;2.78,3.21,;1.45,3.98,;.12,3.21,;.12,1.67,;1.36,.76,;.89,-.7,;-.65,-.7,;-1.42,-2.03,;-2.91,-2.43,;-2.51,-3.92,;-1.02,-3.52,;-3.28,-5.25,;-4.82,-5.25,;-5.3,-6.72,;-6.79,-7.12,;-4.05,-7.62,;-2.81,-6.72,;-1.13,.76,;-2.62,1.16,;1.45,5.52,;2.78,6.29,;4.12,5.52,;5.45,6.29,;6.79,7.06,;4.68,7.62,;6.22,4.96,)|
CCNc1nc(Nc2cn(nc2C)[C@@H]2CCn3nccc23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2C)[C@H]2C[C@@H](C2)c2cocn2)ncc1C(F)(F)F |r,wU:15.18,wD:13.13,(6.71,3.21,;5.37,3.98,;4.04,3.21,;2.71,3.98,;1.37,3.21,;.04,3.98,;-1.29,3.21,;-1.29,1.67,;-2.54,.76,;-2.06,-.7,;-.52,-.7,;-.05,.76,;1.44,1.16,;-2.83,-2.03,;-4.32,-2.43,;-3.92,-3.92,;-2.44,-3.52,;-4.69,-5.25,;-6.23,-5.25,;-6.71,-6.72,;-5.46,-7.62,;-4.22,-6.72,;.04,5.52,;1.37,6.29,;2.71,5.52,;4.04,6.29,;5.37,7.06,;3.27,7.62,;4.81,4.96,)|
CNc1nc(Nc2cn(nc2C)-c2cn(nc2C)[C@@H]2CCn3cncc23)ncc1C(F)(F)F |r|
CCOc1nc(Nc2cn(nc2C)[C@@H]2CCn3ccnc23)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)[C@@H]2CCC(C2)n2ccnn2)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)[C@H](C)COC(F)F)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cccn3)c2C)ncc1C(F)(F)F |r,wU:12.14,wD:10.9,(4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CNc1nc(Nc2cn(nc2C)C2(CCC2)c2ncnn2C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3ccnn3)c2C)ncc1C(F)(F)F |r,wU:11.10,wD:13.15,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-1.77,-3.52,;-3.26,-3.92,;-3.65,-2.43,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
Cc1c(Nc2ncc(c(NCC(F)F)n2)C(F)(F)F)cnn1[C@H]1C[C@@H](C1)n1nccn1 |r,wU:22.23,wD:24.28,(-4.03,1.16,;-2.54,.76,;-1.29,1.67,;-1.29,3.21,;.04,3.98,;.04,5.52,;1.37,6.29,;2.71,5.52,;2.71,3.98,;4.04,3.21,;4.04,1.67,;5.37,.9,;5.37,-.64,;6.71,1.67,;1.37,3.21,;4.04,6.29,;5.37,7.06,;3.27,7.62,;4.81,4.96,;-.05,.76,;-.52,-.7,;-2.06,-.7,;-2.83,-2.03,;-2.44,-3.52,;-3.92,-3.92,;-4.32,-2.43,;-4.69,-5.25,;-6.23,-5.25,;-6.71,-6.72,;-5.46,-7.62,;-4.22,-6.72,)|
CCNC(=O)C(F)(F)n1cc(Nc2ncc(c(NCC)n2)C(F)(F)F)c(C)n1
CNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3nccn3)c2C)ncc1C(F)(F)F |r,wU:10.9,12.14,(4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CCNc1nc(Nc2cnn([C@@H]3CCCn4ccnc34)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn([C@@H]3CCc4c(C)noc34)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2C)C(C)COC(F)F)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)N3CCOCC3)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.19,1.05,;4.86,1.82,;4.86,3.36,;3.52,4.13,;2.19,3.36,;.85,4.13,;-.48,3.36,;-.48,1.82,;.77,.91,;.29,-.55,;-1.25,-.55,;-2.02,-1.88,;-3.51,-2.28,;-3.11,-3.77,;-1.62,-3.37,;-3.88,-5.1,;-5.42,-5.1,;-6.19,-6.44,;-5.42,-7.77,;-3.88,-7.77,;-3.11,-6.44,;-1.73,.91,;-3.21,1.31,;.85,5.67,;2.19,6.44,;3.52,5.67,;4.86,6.44,;6.19,7.21,;4.09,7.77,;5.63,5.1,)|
CCNc1nc(Nc2cnn([C@H](C)COC(F)F)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)[C@@H]2C[C@@H](C2)c2nncs2)ncc1C(F)(F)F |r,wU:12.12,14.17,(4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;-1.87,.76,;-1.4,-.7,;.14,-.7,;.62,.76,;2.11,1.16,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-3.55,-6.72,;-4.8,-7.62,;-6.04,-6.72,;-5.57,-5.25,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)c3cocn3)c2C)ncc1C(F)(F)F |r,wU:13.15,wD:11.10,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3nccn3)c2C)ncc1Br |r,wU:11.10,wD:13.15,(6.04,1.57,;4.71,2.34,;4.71,3.88,;3.37,4.65,;2.04,3.88,;.71,4.65,;-.63,3.88,;-.63,2.34,;.62,1.43,;.14,-.03,;-1.4,-.03,;-2.17,-1.37,;-1.77,-2.85,;-3.26,-3.25,;-3.65,-1.77,;-4.03,-4.59,;-5.57,-4.59,;-6.04,-6.05,;-4.8,-6.96,;-3.55,-6.05,;-1.87,1.43,;-3.36,1.83,;.71,6.19,;2.04,6.96,;3.37,6.19,;4.71,6.96,)|
CCNc1nc(Nc2cn(nc2C)[C@H]2CCc3ncsc23)ncc1C(F)(F)F |r|
Cc1c(Nc2ncc(c(NCC(F)F)n2)C(F)(F)F)cnn1[C@H]1C[C@@H](C1)n1cccn1 |r,wU:22.23,wD:24.28,(-4.69,1.16,;-3.21,.76,;-1.96,1.67,;-1.96,3.21,;-.63,3.98,;-.63,5.52,;.71,6.29,;2.04,5.52,;2.04,3.98,;3.37,3.21,;4.71,3.98,;6.04,3.21,;7.38,3.98,;6.04,1.67,;.71,3.21,;3.37,6.29,;4.71,7.06,;2.6,7.62,;4.14,4.96,;-.71,.76,;-1.19,-.7,;-2.73,-.7,;-3.5,-2.03,;-3.1,-3.52,;-4.59,-3.92,;-4.99,-2.43,;-5.36,-5.25,;-6.9,-5.25,;-7.38,-6.72,;-6.13,-7.62,;-4.88,-6.72,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cc(F)cn3)c2C)ncc1C(F)(F)F |r,wU:13.15,wD:11.10,(6.79,.9,;5.45,1.67,;5.45,3.21,;4.12,3.98,;2.78,3.21,;1.45,3.98,;.12,3.21,;.12,1.67,;1.36,.76,;.89,-.7,;-.65,-.7,;-1.42,-2.03,;-2.91,-2.43,;-2.51,-3.92,;-1.02,-3.52,;-3.28,-5.25,;-4.82,-5.25,;-5.3,-6.72,;-6.79,-7.12,;-4.05,-7.62,;-2.81,-6.72,;-1.13,.76,;-2.62,1.16,;1.45,5.52,;2.78,6.29,;4.12,5.52,;5.45,6.29,;6.79,7.06,;4.68,7.62,;6.22,4.96,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)c3nncs3)c2C)ncc1C(F)(F)F |r,wU:13.15,wD:11.10,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-3.55,-6.72,;-4.8,-7.62,;-6.04,-6.72,;-5.57,-5.25,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CNc1nc(Nc2cnn([C@@H]3CCC(C3)n3nccn3)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn(C3CCc4c(C)noc34)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3cccn3)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CNc1nc(Nc2cn(nc2C)[C@H]2C[C@@H](C2)n2cccn2)ncc1C(F)(F)F |r,wU:14.17,wD:12.12,(3.37,1.67,;3.37,3.21,;2.03,3.98,;.7,3.21,;-.63,3.98,;-1.97,3.21,;-1.97,1.67,;-.72,.76,;-1.2,-.7,;-2.74,-.7,;-3.21,.76,;-4.7,1.16,;-.43,-2.03,;-.83,-3.52,;.66,-3.92,;1.06,-2.43,;1.43,-5.25,;.96,-6.72,;2.2,-7.62,;3.45,-6.72,;2.97,-5.25,;-.63,5.52,;.7,6.29,;2.03,5.52,;3.37,6.29,;4.7,7.06,;2.6,7.62,;4.14,4.96,)|
CNc1nc(Nc2cn(nc2C)C2CCCc3c2cnn3C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(C3CCc4ncsc34)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cccn3)c2C)ncc1C(F)(F)F |r,wU:11.10,wD:13.15,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-1.77,-3.52,;-3.26,-3.92,;-3.65,-2.43,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CNc1nc(Nc2cn(nc2C)C2CCn3c(Cl)cnc23)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C(F)(F)C(=O)NC)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C(F)(F)C(N)=O)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C2Cc3nccn3C2)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)N3CCCC3=O)c2C)ncc1C(F)(F)F |r,wU:11.10,wD:13.15,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-1.77,-3.52,;-3.26,-3.92,;-3.65,-2.43,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-2.06,-7.12,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CCNc1nc(Nc2cnn(C3CCn4ccnc34)c2Cl)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)[C@H]2CCn3ccnc23)ncc1C(F)(F)F |r|
Cc1c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cnn1[C@H]1C[C@@H](C1)n1cccn1 |r,wU:21.23,wD:23.28,(-3.36,1.16,;-1.87,.76,;-.63,1.67,;-.63,3.21,;.71,3.98,;.71,5.52,;2.04,6.29,;3.37,5.52,;3.37,3.98,;4.71,3.21,;4.71,1.67,;3.94,.34,;5.48,.34,;2.04,3.21,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-1.77,-3.52,;-3.26,-3.92,;-3.65,-2.43,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,)|
CNc1nc(Nc2cnn(C3CCC(C3)n3nccn3)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cnc(C)n3)c2C)ncc1C(F)(F)F |r,wU:12.14,wD:10.9,(4.71,2.41,;4.71,3.95,;3.37,4.72,;2.04,3.95,;.71,4.72,;-.63,3.95,;-.63,2.41,;.62,1.51,;.14,.04,;-1.4,.04,;-2.17,-1.29,;-3.65,-1.69,;-3.26,-3.18,;-1.77,-2.78,;-4.03,-4.51,;-5.57,-4.51,;-6.04,-5.97,;-4.8,-6.88,;-4.4,-8.37,;-3.55,-5.97,;-1.87,1.51,;-3.36,1.91,;.71,6.26,;2.04,7.03,;3.37,6.26,;4.71,7.03,;6.04,7.8,;3.94,8.37,;5.48,5.7,)|
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3ncnc3C)c2C)ncc1C(F)(F)F |r,wU:12.14,wD:10.9,(4.86,1.67,;4.86,3.21,;3.52,3.98,;2.19,3.21,;.85,3.98,;-.48,3.21,;-.48,1.67,;.77,.76,;.29,-.7,;-1.25,-.7,;-2.02,-2.03,;-3.51,-2.43,;-3.11,-3.92,;-1.62,-3.52,;-3.88,-5.25,;-3.4,-6.72,;-4.65,-7.62,;-5.89,-6.72,;-5.42,-5.25,;-6.19,-3.92,;-1.73,.76,;-3.21,1.16,;.85,5.52,;2.19,6.29,;3.52,5.52,;4.86,6.29,;6.19,7.06,;4.09,7.62,;5.63,4.96,)|
CCNc1nc(Nc2cnn(C3CCn4cncc34)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cccn3)c2C)ncc1Br |r,wU:10.9,wD:12.14,(5.37,2.34,;5.37,3.88,;4.04,4.65,;2.71,3.88,;1.37,4.65,;.04,3.88,;.04,2.34,;1.29,1.43,;.81,-.03,;-.73,-.03,;-1.5,-1.37,;-1.1,-2.85,;-2.59,-3.25,;-2.99,-1.77,;-3.36,-4.59,;-4.9,-4.59,;-5.37,-6.05,;-4.13,-6.96,;-2.88,-6.05,;-1.21,1.43,;-2.69,1.83,;1.37,6.19,;2.71,6.96,;4.04,6.19,;5.37,6.96,)|
CNc1nc(Nc2cnn([C@@H]3CCC(C3)n3ccnn3)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2C)[C@@H]2C[C@@H](C2)c2cocn2)ncc1C(F)(F)F |r,wD:13.13,15.18,(6.71,3.21,;5.37,3.98,;4.04,3.21,;2.71,3.98,;1.37,3.21,;.04,3.98,;-1.29,3.21,;-1.29,1.67,;-2.54,.76,;-2.06,-.7,;-.52,-.7,;-.05,.76,;1.44,1.16,;-2.83,-2.03,;-2.44,-3.52,;-3.92,-3.92,;-4.32,-2.43,;-4.69,-5.25,;-6.23,-5.25,;-6.71,-6.72,;-5.46,-7.62,;-4.22,-6.72,;.04,5.52,;1.37,6.29,;2.71,5.52,;4.04,6.29,;5.37,7.06,;3.27,7.62,;4.81,4.96,)|
CNc1nc(Nc2cn(nc2C)C2(CC2)c2ncn(C)n2)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)OC(F)F)c2C)ncc1C(F)(F)F |r,wU:13.15,wD:11.10,(3.81,-.06,;5.15,.71,;5.15,2.25,;3.81,3.02,;2.48,2.25,;1.15,3.02,;-.19,2.25,;-.19,.71,;1.06,-.2,;.58,-1.66,;-.96,-1.66,;-1.73,-3,;-3.21,-3.39,;-2.82,-4.88,;-1.33,-4.48,;-3.9,-5.97,;-5.39,-5.57,;-6.48,-6.66,;-5.79,-4.08,;-1.43,-.2,;-2.92,.2,;1.15,4.56,;2.48,5.33,;3.81,4.56,;5.15,5.33,;6.48,6.1,;4.38,6.66,;5.92,3.99,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cncn3)c2C)ncc1C(F)(F)F |r,wU:11.10,wD:13.15,(3.37,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-1.77,-3.52,;-3.26,-3.92,;-3.65,-2.43,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CCNc1nc(Nc2cnn([C@H]3C[C@H](C3)n3ncnc3C(F)(F)F)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.86,.9,;5.52,1.67,;5.52,3.21,;4.19,3.98,;2.85,3.21,;1.52,3.98,;.19,3.21,;.19,1.67,;1.43,.76,;.96,-.7,;-.58,-.7,;-1.35,-2.03,;-.95,-3.52,;-2.44,-3.92,;-2.84,-2.43,;-3.21,-5.25,;-2.74,-6.72,;-3.98,-7.62,;-5.23,-6.72,;-4.75,-5.25,;-5.52,-3.92,;-6.29,-2.59,;-4.19,-3.15,;-6.86,-4.69,;-1.06,.76,;-2.55,1.16,;1.52,5.52,;2.85,6.29,;4.19,5.52,;5.52,6.29,;6.86,7.06,;4.75,7.62,;6.29,4.96,)|
Cc1c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cnn1[C@H]1C[C@@H](C1)n1nccn1 |r,wU:21.23,wD:23.28,(-4.13,1.16,;-2.64,.76,;-1.4,1.67,;-1.4,3.21,;-.06,3.98,;-.06,5.52,;1.27,6.29,;2.6,5.52,;2.6,3.98,;3.94,3.21,;5.27,3.98,;6.81,3.98,;6.04,5.31,;1.27,3.21,;3.94,6.29,;5.27,7.06,;3.17,7.62,;4.71,4.96,;-.15,.76,;-.63,-.7,;-2.17,-.7,;-2.94,-2.03,;-2.54,-3.52,;-4.03,-3.92,;-4.42,-2.43,;-4.8,-5.25,;-6.34,-5.25,;-6.81,-6.72,;-5.57,-7.62,;-4.32,-6.72,)|
CCOc1nc(Nc2cn(nc2C)C(F)(F)C(N)=O)ncc1C(F)(F)F
CNc1nc(Nc2cnn([C@@H]3CCn4cncc34)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2C)[C@H]2CCn3nccc23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3ccnn3)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CNc1nc(Nc2cnn(C3CCC(C3)n3ccnn3)c2C)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2CCC(C2)n2ccnn2)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(C3CCc4cn[nH]c34)c2C)ncc1C(F)(F)F
COc1nc(Nc2cnn([C@@H]3CCn4ccnc34)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3nccn3)c2C)ncc1Br |r,wU:10.9,wD:12.14,(5.37,2.34,;5.37,3.88,;4.04,4.65,;2.71,3.88,;1.37,4.65,;.04,3.88,;.04,2.34,;1.29,1.43,;.81,-.03,;-.73,-.03,;-1.5,-1.37,;-1.1,-2.85,;-2.59,-3.25,;-2.99,-1.77,;-3.36,-4.59,;-4.9,-4.59,;-5.37,-6.05,;-4.13,-6.96,;-2.88,-6.05,;-1.21,1.43,;-2.69,1.83,;1.37,6.19,;2.71,6.96,;4.04,6.19,;5.37,6.96,)|
COc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3nccn3)c2C)ncc1Br |r,wU:10.9,wD:12.14,(5.37,2.34,;5.37,3.88,;4.04,4.65,;2.71,3.88,;1.37,4.65,;.04,3.88,;.04,2.34,;1.29,1.43,;.81,-.03,;-.73,-.03,;-1.5,-1.37,;-1.1,-2.85,;-2.59,-3.25,;-2.99,-1.77,;-3.36,-4.59,;-4.9,-4.59,;-5.37,-6.05,;-4.13,-6.96,;-2.88,-6.05,;-1.21,1.43,;-2.69,1.83,;1.37,6.19,;2.71,6.96,;4.04,6.19,;5.37,6.96,)|
CNc1nc(Nc2cn(nc2C)-c2cn(nc2C)[C@H]2CCn3cncc23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2C)[C@@H]2CCc3nc[nH]c23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2C)[C@H]2CCc3nc[nH]c23)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn([C@H]3CCC(C3)n3nccn3)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cnc(n3)C(F)(F)F)c2C)ncc1C(F)(F)F |r,wU:13.15,wD:11.10,(6.04,2.39,;4.71,3.16,;4.71,4.7,;3.37,5.47,;2.04,4.7,;.71,5.47,;-.63,4.7,;-.63,3.16,;.62,2.25,;.14,.79,;-1.4,.79,;-2.17,-.55,;-3.65,-.94,;-3.26,-2.43,;-1.77,-2.03,;-4.03,-3.77,;-5.57,-3.77,;-6.04,-5.23,;-4.8,-6.14,;-3.55,-5.23,;-4.4,-7.62,;-4,-9.11,;-2.91,-7.22,;-5.88,-8.02,;-1.87,2.25,;-3.36,2.65,;.71,7.01,;2.04,7.78,;3.37,7.01,;4.71,7.78,;6.04,8.55,;3.94,9.11,;5.48,6.44,)|
CNc1nc(Nc2cn(nc2C)C2(CCC2)c2ncn(C)n2)ncc1C(F)(F)F
CNc1nc(Nc2cn(nc2C)C2CCn3ccnc23)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)[C@H]2C[C@@H](C2)OC(F)F)ncc1C(F)(F)F |r,wU:15.18,wD:13.13,(3.81,-.06,;5.15,.71,;5.15,2.25,;3.81,3.02,;2.48,2.25,;1.15,3.02,;-.19,2.25,;-.19,.71,;-1.43,-.2,;-.96,-1.66,;.58,-1.66,;1.06,-.2,;2.55,.2,;-1.73,-3,;-3.21,-3.39,;-2.82,-4.88,;-1.33,-4.48,;-3.9,-5.97,;-5.39,-5.57,;-6.48,-6.66,;-5.79,-4.08,;1.15,4.56,;2.48,5.33,;3.81,4.56,;5.15,5.33,;6.48,6.1,;4.38,6.66,;5.92,3.99,)|
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)N3CCCC3=O)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-2.06,-7.12,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CCNc1nc(Nc2cn(nc2C)C(F)(F)C(=O)NC2CC2)ncc1C(F)(F)F
COc1nc(Nc2cnn([C@H]3CCn4ccnc34)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)[C@H]2CCC(C2)n2ccnn2)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(c2C)C2(CC#N)CC2)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(C3CCn4nccc34)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C2CCn3nccc23)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@H]3C[C@H](C3)S(C)(=O)=O)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.33,4.25,;4.85,4.65,;3.76,3.56,;2.27,3.96,;1.18,2.87,;-.31,3.26,;-1.4,2.18,;-1.4,.64,;-.15,-.27,;-.63,-1.73,;-2.17,-1.73,;-2.94,-3.07,;-2.54,-4.55,;-4.02,-4.95,;-4.42,-3.47,;-4.79,-6.29,;-4.02,-7.62,;-6.33,-6.29,;-3.25,-6.29,;-2.64,-.27,;-4.13,.13,;-.7,4.75,;.38,5.84,;1.87,5.44,;2.96,6.53,;4.05,7.62,;1.87,7.62,;4.05,5.44,)|
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3nccn3)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.04,.9,;4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CNc1nc(Nc2cnn(C3CCn4cncc34)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@H]3CCCn4ccnc34)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn([C@@H]3CCn4ccnc34)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)N3CCOCC3)c2C)ncc1C(F)(F)F |r,wU:11.10,wD:13.15,(6.19,1.05,;4.86,1.82,;4.86,3.36,;3.52,4.13,;2.19,3.36,;.85,4.13,;-.48,3.36,;-.48,1.82,;.77,.91,;.29,-.55,;-1.25,-.55,;-2.02,-1.88,;-1.62,-3.37,;-3.11,-3.77,;-3.51,-2.28,;-3.88,-5.1,;-5.42,-5.1,;-6.19,-6.44,;-5.42,-7.77,;-3.88,-7.77,;-3.11,-6.44,;-1.73,.91,;-3.21,1.31,;.85,5.67,;2.19,6.44,;3.52,5.67,;4.86,6.44,;6.19,7.21,;4.09,7.77,;5.63,5.1,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3nccn3)c2C)ncc1Cl |r,wU:11.10,wD:13.15,(6.04,1.57,;4.71,2.34,;4.71,3.88,;3.37,4.65,;2.04,3.88,;.71,4.65,;-.63,3.88,;-.63,2.34,;.62,1.43,;.14,-.03,;-1.4,-.03,;-2.17,-1.37,;-1.77,-2.85,;-3.26,-3.25,;-3.65,-1.77,;-4.03,-4.59,;-5.57,-4.59,;-6.04,-6.05,;-4.8,-6.96,;-3.55,-6.05,;-1.87,1.43,;-3.36,1.83,;.71,6.19,;2.04,6.96,;3.37,6.19,;4.71,6.96,)|
CCNc1nc(Nc2cnn(c2C)C2(CC#N)CC2)ncc1C(F)(F)F
CNc1nc(Nc2cnn(c2C)C2(COC(F)F)CC2)ncc1C(F)(F)F
CNc1nc(Nc2cnn(CC3(CC#N)CC3)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(CC3(CC#N)CC3)c2C)ncc1C(F)(F)F
CNC(=O)C(F)(F)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1
CCNC(=O)C(F)(F)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1
CCNc1nc(Nc2cn(nc2C)C(F)(F)C(O)=O)ncc1C(F)(F)F
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3nccn3)c2C)ncc1C(F)(F)F |r,wU:10.9,wD:12.14,(4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-1.77,-3.52,;-3.26,-3.92,;-3.65,-2.43,;-4.03,-5.25,;-5.57,-5.25,;-6.04,-6.72,;-4.8,-7.62,;-3.55,-6.72,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CCNc1nc(Nc2cn(nc2C)[C@H]2Cc3nccn3C2)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cn(nc2Cl)C(F)(F)C(N)=O)ncc1C(F)(F)F
CNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3cc(F)cn3)c2C)ncc1C(F)(F)F |r,wU:10.9,12.14,(5.45,1.67,;5.45,3.21,;4.12,3.98,;2.78,3.21,;1.45,3.98,;.12,3.21,;.12,1.67,;1.36,.76,;.89,-.7,;-.65,-.7,;-1.42,-2.03,;-2.91,-2.43,;-2.51,-3.92,;-1.02,-3.52,;-3.28,-5.25,;-4.82,-5.25,;-5.3,-6.72,;-6.79,-7.12,;-4.05,-7.62,;-2.81,-6.72,;-1.13,.76,;-2.62,1.16,;1.45,5.52,;2.78,6.29,;4.12,5.52,;5.45,6.29,;6.79,7.06,;4.68,7.62,;6.22,4.96,)|
CNc1nc(Nc2cnn([C@H]3CCn4cncc34)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cn(nc2C)[C@H]2C[C@@H](C2)c2nncs2)ncc1C(F)(F)F |r,wU:14.17,wD:12.12,(4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;-1.87,.76,;-1.4,-.7,;.14,-.7,;.62,.76,;2.11,1.16,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-3.55,-6.72,;-4.8,-7.62,;-6.04,-6.72,;-5.57,-5.25,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)c3nncs3)c2C)ncc1C(F)(F)F |r,wU:12.14,wD:10.9,(4.71,1.67,;4.71,3.21,;3.37,3.98,;2.04,3.21,;.71,3.98,;-.63,3.21,;-.63,1.67,;.62,.76,;.14,-.7,;-1.4,-.7,;-2.17,-2.03,;-3.65,-2.43,;-3.26,-3.92,;-1.77,-3.52,;-4.03,-5.25,;-3.55,-6.72,;-4.8,-7.62,;-6.04,-6.72,;-5.57,-5.25,;-1.87,.76,;-3.36,1.16,;.71,5.52,;2.04,6.29,;3.37,5.52,;4.71,6.29,;6.04,7.06,;3.94,7.62,;5.48,4.96,)|
CNc1nc(Nc2cnn(C3CCCn4ccnc34)c2C)ncc1C(F)(F)F
CCNc1nc(Nc2cnn([C@H]3CCc4c(C)noc34)c2C)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn([C@H]3CCn4ccnc34)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn([C@@H]3CCc4c(C)noc34)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn([C@H]3CCc4c(C)noc34)c2C)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn([C@H]3CCC(C3)n3ccnn3)c2C)ncc1C(F)(F)F |r|
COc1nc(Nc2cn(nc2C)C2(C)CCn3ccnc23)ncc1Br
COc1nc(Nc2cn(nc2C)C(F)(F)C(N)=O)ncc1Br
COc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3nccn3)c2C)ncc1Br |r,wU:10.9,12.14,(5.37,2.34,;5.37,3.88,;4.04,4.65,;2.71,3.88,;1.37,4.65,;.04,3.88,;.04,2.34,;1.29,1.43,;.81,-.03,;-.73,-.03,;-1.5,-1.37,;-2.99,-1.77,;-2.59,-3.25,;-1.1,-2.85,;-3.36,-4.59,;-4.9,-4.59,;-5.37,-6.05,;-4.13,-6.96,;-2.88,-6.05,;-1.21,1.43,;-2.69,1.83,;1.37,6.19,;2.71,6.96,;4.04,6.19,;5.37,6.96,)|
CNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3nccn3)c2C)ncc1Br |r,wU:10.9,12.14,(5.37,2.34,;5.37,3.88,;4.04,4.65,;2.71,3.88,;1.37,4.65,;.04,3.88,;.04,2.34,;1.29,1.43,;.81,-.03,;-.73,-.03,;-1.5,-1.37,;-2.99,-1.77,;-2.59,-3.25,;-1.1,-2.85,;-3.36,-4.59,;-4.9,-4.59,;-5.37,-6.05,;-4.13,-6.96,;-2.88,-6.05,;-1.21,1.43,;-2.69,1.83,;1.37,6.19,;2.71,6.96,;4.04,6.19,;5.37,6.96,)|
COc1nc(Nc2cnn([C@H]3CC(C3)n3nccn3)c2C)ncc1Cl |r,wU:10.9,(5.37,2.34,;5.37,3.88,;4.04,4.65,;2.71,3.88,;1.37,4.65,;.04,3.88,;.04,2.34,;1.29,1.43,;.81,-.03,;-.73,-.03,;-1.5,-1.37,;-1.1,-2.85,;-2.59,-3.25,;-2.99,-1.77,;-3.36,-4.59,;-4.9,-4.59,;-5.37,-6.05,;-4.13,-6.96,;-2.88,-6.05,;-1.21,1.43,;-2.69,1.83,;1.37,6.19,;2.71,6.96,;4.04,6.19,;5.37,6.96,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)N3CCN(C)CC3)c2C)ncc1C(F)(F)F |r,wU:11.10,wD:13.15,(6.19,1.72,;4.86,2.49,;4.86,4.03,;3.52,4.8,;2.19,4.03,;.85,4.8,;-.48,4.03,;-.48,2.49,;.77,1.58,;.29,.12,;-1.25,.12,;-2.02,-1.22,;-1.62,-2.71,;-3.11,-3.1,;-3.51,-1.62,;-3.88,-4.44,;-5.42,-4.44,;-6.19,-5.77,;-5.42,-7.11,;-6.19,-8.44,;-3.88,-7.11,;-3.11,-5.77,;-1.73,1.58,;-3.21,1.98,;.85,6.34,;2.19,7.11,;3.52,6.34,;4.86,7.11,;6.19,7.88,;4.09,8.44,;5.63,5.77,)|
CNc1nc(Nc2cnn(c2C)[C@@]2(C)CCC3N=CN=C23)ncc1C(F)(F)F |r,c:18,t:20|
CNc1nc(Nc2cnn(c2C)[C@]2(C)CCC3N=CN=C23)ncc1C(F)(F)F |r,c:18,t:20|
CNc1nc(Nc2cnn(c2C)[C@@](C)(CF)C#N)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(c2C)[C@](C)(CF)C#N)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)n3cc(F)cn3)c2C)ncc1Br |r,wU:10.9,12.14,(6.79,4.65,;5.45,3.88,;4.12,4.65,;2.78,3.88,;1.45,4.65,;.12,3.88,;.12,2.34,;1.36,1.43,;.89,-.03,;-.65,-.03,;-1.42,-1.37,;-2.91,-1.77,;-2.51,-3.25,;-1.02,-2.85,;-3.28,-4.59,;-4.82,-4.59,;-5.3,-6.05,;-6.79,-6.45,;-4.05,-6.96,;-2.81,-6.05,;-1.13,1.43,;-2.62,1.83,;1.45,6.19,;2.78,6.96,;4.12,6.19,;5.45,6.96,)|
CNc1nc(Nc2cnn([C@H]3C[C@@H](C3)n3cc(F)cn3)c2C)ncc1Br |r,wU:10.9,wD:12.14,(6.12,2.34,;6.12,3.88,;4.78,4.65,;3.45,3.88,;2.12,4.65,;.78,3.88,;.78,2.34,;2.03,1.43,;1.55,-.03,;.01,-.03,;-.76,-1.37,;-.36,-2.85,;-1.85,-3.25,;-2.24,-1.77,;-2.62,-4.59,;-4.16,-4.59,;-4.63,-6.05,;-6.12,-6.45,;-3.39,-6.96,;-2.14,-6.05,;-.46,1.43,;-1.95,1.83,;2.12,6.19,;3.45,6.96,;4.78,6.19,;6.12,6.96,)|
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)N3CCN(C)CC3)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,(6.68,2.69,;5.14,2.69,;4.37,4.03,;3.03,4.8,;1.7,4.03,;.37,4.8,;-.97,4.03,;-.97,2.49,;.28,1.58,;-.2,.12,;-1.74,.12,;-2.51,-1.22,;-4,-1.62,;-3.6,-3.1,;-2.11,-2.71,;-4.37,-4.44,;-5.91,-4.44,;-6.68,-5.77,;-5.91,-7.11,;-6.68,-8.44,;-4.37,-7.11,;-3.6,-5.77,;-2.21,1.58,;-3.7,1.98,;.37,6.34,;1.7,7.11,;3.03,6.34,;4.37,7.11,;5.7,7.88,;3.6,8.44,;5.14,5.77,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)N3CC[C@H](F)C3)c2C)ncc1C(F)(F)F |r,wU:11.10,18.19,wD:13.15,(6.04,1.67,;4.71,2.44,;4.71,3.98,;3.37,4.75,;2.04,3.98,;.71,4.75,;-.63,3.98,;-.63,2.44,;.62,1.53,;.14,.07,;-1.4,.07,;-2.17,-1.26,;-1.77,-2.75,;-3.26,-3.15,;-3.65,-1.66,;-4.03,-4.48,;-5.57,-4.48,;-6.04,-5.95,;-4.8,-6.85,;-4.8,-8.39,;-3.55,-5.95,;-1.87,1.53,;-3.36,1.93,;.71,6.29,;2.04,7.06,;3.37,6.29,;4.71,7.06,;6.04,7.83,;3.94,8.39,;5.48,5.73,)|
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)N3CC[C@H](F)C3)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,18.19,(6.04,1.67,;4.71,2.44,;4.71,3.98,;3.37,4.75,;2.04,3.98,;.71,4.75,;-.63,3.98,;-.63,2.44,;.62,1.53,;.14,.07,;-1.4,.07,;-2.17,-1.26,;-3.65,-1.66,;-3.26,-3.15,;-1.77,-2.75,;-4.03,-4.48,;-5.57,-4.48,;-6.04,-5.95,;-4.8,-6.85,;-4.8,-8.39,;-3.55,-5.95,;-1.87,1.53,;-3.36,1.93,;.71,6.29,;2.04,7.06,;3.37,6.29,;4.71,7.06,;6.04,7.83,;3.94,8.39,;5.48,5.73,)|
CCNc1nc(Nc2cnn([C@H]3C[C@@H](C3)N3CC[C@@H](F)C3)c2C)ncc1C(F)(F)F |r,wU:11.10,wD:13.15,18.19,(6.04,1.67,;4.71,2.44,;4.71,3.98,;3.37,4.75,;2.04,3.98,;.71,4.75,;-.63,3.98,;-.63,2.44,;.62,1.53,;.14,.07,;-1.4,.07,;-2.17,-1.26,;-1.77,-2.75,;-3.26,-3.15,;-3.65,-1.66,;-4.03,-4.48,;-5.57,-4.48,;-6.04,-5.95,;-4.8,-6.85,;-4.8,-8.39,;-3.55,-5.95,;-1.87,1.53,;-3.36,1.93,;.71,6.29,;2.04,7.06,;3.37,6.29,;4.71,7.06,;6.04,7.83,;3.94,8.39,;5.48,5.73,)|
CCNc1nc(Nc2cnn([C@@H]3C[C@@H](C3)N3CC[C@@H](F)C3)c2C)ncc1C(F)(F)F |r,wU:11.10,13.15,wD:18.19,(6.04,1.67,;4.71,2.44,;4.71,3.98,;3.37,4.75,;2.04,3.98,;.71,4.75,;-.63,3.98,;-.63,2.44,;.62,1.53,;.14,.07,;-1.4,.07,;-2.17,-1.26,;-3.65,-1.66,;-3.26,-3.15,;-1.77,-2.75,;-4.03,-4.48,;-5.57,-4.48,;-6.04,-5.95,;-4.8,-6.85,;-4.8,-8.39,;-3.55,-5.95,;-1.87,1.53,;-3.36,1.93,;.71,6.29,;2.04,7.06,;3.37,6.29,;4.71,7.06,;6.04,7.83,;3.94,8.39,;5.48,5.73,)|
CNc1nc(Nc2cnn(c2C)[C@](C)(C#N)C(F)F)ncc1C(F)(F)F |r|
CNc1nc(Nc2cnn(c2C)[C@@](C)(C#N)C(F)F)ncc1C(F)(F)F |r|
Cc1c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cnn1[C@@](C)(CF)C#N |r|
Cc1c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cnn1C(C)(CF)C#N
CCNc1nc(Nc2cn(nc2C)C(C)(CF)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2cn(nc2C)C(CF)(CF)C#N)ncc1C(F)(F)F
CCNc1nc(Nc2cnn(c2C)[C@@]2(C)CCn3ccnc23)ncc1C(F)(F)F |r|
CCNc1nc(Nc2cnn(c2C)[C@]2(C)CCn3ccnc23)ncc1C(F)(F)F |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl |r|
O[C@H]1COC[C@H]1N1CCN(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl |r|
O[C@@H]1COC[C@@H]1N1CCN(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1F |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1F |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCC3)ncc2cc1Cl
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCC3)ncc2cc1Cl
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3C4COCC34)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3C4COCC34)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@]33CCCOC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@]33CCCOC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@]33CCCOC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@]33CCCOC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@]33CCCOC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@]33CCCOC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@]33CCCOC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@]33CCCOC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCC(F)(F)CC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCC(F)(F)CC3)ncc2cc1Cl |r|
CC1(C)CC(CO1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CC1(C)CC(CO1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1 |r|
CC1(C)OCCC1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CC1(C)OCCC1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1 |r|
COCC1CCC1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1
COCC1CCC1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCC33CCOCC3)ncc2cc1Cl
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCC33CCOCC3)ncc2cc1Cl
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl |r|
C[C@H]1CN(CCN1[C@@H]1COC[C@@H]1O)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl |r|
C[C@H]1CN(CCN1[C@H]1COC[C@H]1O)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl |r|
O[C@H]1COC[C@H]1N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
O[C@H]1COC[C@H]1N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
O[C@@H]1COC[C@@H]1N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
O[C@@H]1COC[C@@H]1N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CC3)ncc2cc1Cl |r|
CC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CC3(F)F)ncc2cc1Cl
CC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCC33CC3)ncc2cc1Cl
CC12CC(C1)(CO2)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1 |(-9.55,14.83,;-8.92,13.42,;-7.41,13.1,;-7.25,11.57,;-9.08,11.89,;-8.66,10.94,;-9.69,12.09,;-5.92,10.8,;-5.92,9.26,;-4.58,11.57,;-3.25,10.8,;-3.25,9.26,;-1.92,8.49,;-1.92,6.95,;-.58,6.18,;-.58,4.64,;.75,3.87,;.75,2.33,;-.58,1.56,;-1.92,2.33,;-1.92,3.87,;-.58,.02,;.79,.72,;-1.83,-.89,;-1.35,-2.35,;.19,-2.35,;.66,-.89,;2.13,-.41,;.75,6.95,;2.08,6.18,;.75,8.49,;-.58,9.26,;-.58,10.8,;-1.92,11.57,)|
CC12CC(C1)(C2)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1
C[C@H]1CN(CCN1[C@]1(C)COC[C@@H]1O)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl |r|
C[C@H]1CN(CCN1[C@@]1(C)COC[C@H]1O)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl |r|
CCC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl
CC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC3c3ccccn3)ncc2cc1F
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CC3(F)F)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CC3(F)F)ncc2cc1Cl |r|
C[C@H]1COC(=O)N1c1ccc2cnc(NC(=O)C3CC3)cc2c1 |r|
CC1(O)CCN(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl
Clc1cc2cnc(NC(=O)C3CC3)cc2cc1N1CCc2[nH]ncc2C1
CC1(COC1)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CC3)ncc2cc1Cl
CC1(O)CC2(CN(C2)c2cc3cc(NC(=O)C4CC4)ncc3cc2Cl)C1
FC1CN(C1)C1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl
FC1(F)CN(C1)C1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl
CC1(CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl)C#N
Clc1cc2cnc(NC(=O)C3CC33CCOCC3)cc2cc1N1CCC(CC1)C#N
CCC1C(C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCC(F)(CC3)C#N)c(Cl)cc2cn1
Cn1cc(cn1)C1CC1C(=O)Nc1cc2cc(N3CCC(F)(CC3)C#N)c(Cl)cc2cn1
Clc1cc2cnc(NC(=O)C3CC3)cc2cc1N1[C@@H]2CC[C@@H](C2)C1=O |r|
Clc1cc2cnc(NC(=O)C3CC3)cc2cc1N1[C@H]2CC[C@H](C2)C1=O |r|
CO[C@H]1COC[C@]1(C)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
CO[C@H]1COC[C@]1(C)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
CO[C@@H]1COC[C@@]1(C)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
CO[C@@H]1COC[C@@]1(C)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
CO[C@@H]1COC[C@H]1N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
CO[C@@H]1COC[C@H]1N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
CO[C@H]1COC[C@@H]1N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
CO[C@H]1COC[C@@H]1N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
C[C@@]1(CCOC1)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
C[C@@]1(CCOC1)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
C[C@]1(CCOC1)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
C[C@]1(CCOC1)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC33CCOCC3)ncc2cc1Cl |r|
CC1(CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cncnc3)ncc2cc1Cl)C#C |r|
CC1(CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cncnc3)ncc2cc1Cl)C#C |r|
Clc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3cncnc3)cc2cc1N1CCC(CC1)C#N |r|
Clc1cc2cnc(NC(=O)[C@H]3C[C@@H]3c3cncnc3)cc2cc1N1CCC(CC1)C#N |r|
FC1(CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cncnc3)ncc2cc1Cl)C#N |r|
FC1(CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cncnc3)ncc2cc1Cl)C#N |r|
Cc1cc2cnc(NC(=O)C3CC33CCOCC3)cc2cc1N1CCN(CC1)C1(C)COCC1O
Cc1cc2cnc(NC(=O)[C@@H]3C[C@@]33CCOC3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1O |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@@]33CCOC3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1O |r|
Cc1cc2cnc(NC(=O)[C@@H]3C[C@]33CCOC3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1O |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@]33CCOC3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1O |r|
Cc1cc2cnc(NC(=O)[C@@H]3C[C@@]33CCOC3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1O |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@@]33CCOC3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1O |r|
Cc1cc2cnc(NC(=O)[C@@H]3C[C@]33CCOC3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1O |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@]33CCOC3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1O |r|
C[C@H]1CN(CCN1C1(C)COCC1O)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1C |r|
CC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1C1CC1
CCC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1C
Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccccn3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1F |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@@H]3c3ccccn3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1F |r|
COC1CC(C1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(Cl)cc2cn1 |wU:25.28,wD:20.22,(-7.22,1.09,;-5.89,1.86,;-4.55,1.09,;-3.07,1.49,;-2.67,,;-4.15,-.4,;-1.33,-.77,;-1.33,-2.31,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.67,1.54,;10.67,,;9.34,-.77,;12,2.31,;12.63,.9,;11.1,3.56,;12,4.8,;13.47,4.33,;13.47,2.79,;14.71,1.88,;6.67,-2.31,;8,-3.08,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,)|
COC1CC(C1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |wU:20.22,wD:25.28,(-7.22,1.09,;-5.89,1.86,;-4.55,1.09,;-3.07,1.49,;-2.67,,;-4.15,-.4,;-1.33,-.77,;-1.33,-2.31,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.67,1.54,;10.67,,;9.34,-.77,;12,2.31,;12.63,.9,;11.1,3.56,;12,4.8,;13.47,4.33,;13.47,2.79,;14.71,1.88,;6.67,-2.31,;8,-3.08,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,)|
C[C@]1(COC[C@@H]1O)N1CCN(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
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl |r|
Clc1cc2cnc(NC(=O)C3CC3)cc2cc1N1CCN(CC1)C1COC1
CN1CCN(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl
COCCC(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1
CC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCOCC3)ncc2cc1Cl
CC(C)C1CC(C1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1 |(-7.22,1.09,;-5.89,1.86,;-5.89,3.4,;-4.55,1.09,;-3.07,1.49,;-2.67,,;-4.15,-.4,;-1.33,-.77,;-1.33,-2.31,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.67,1.54,;10.67,,;9.34,-.77,;12,2.31,;12.63,.9,;11.1,3.56,;12,4.8,;13.47,4.33,;13.47,2.79,;14.71,1.88,;6.67,-2.31,;8,-3.08,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,)|
CC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCCO3)ncc2cc1Cl
CC(C)OC1CCC(OC1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1
C[C@H]1[C@H]([C@@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(Cl)cc2cn1 |r|
C[C@@H]1[C@H]([C@@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(Cl)cc2cn1 |r|
C[C@H]1[C@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(Cl)cc2cn1 |r|
C[C@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(Cl)cc2cn1 |r|
CC[C@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(Cl)cc2cn1 |r|
CC[C@H]1[C@@H]([C@@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(Cl)cc2cn1 |r|
C[C@H]1[C@H](C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(C)cc2cn1 |r|
C[C@@H]1[C@H](C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(C)cc2cn1 |r|
C[C@H]1[C@@H](C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(C)cc2cn1 |r|
C[C@@H]1[C@@H](C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(C)cc2cn1 |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@H]3c3ccccn3)cc2cc1N1CCN(CC1)C1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccccn3)cc2cc1N1CCN(CC1)C1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@@H]3c3ccccn3)cc2cc1N1CCN(CC1)C1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)C3CC3c3ccccn3)cc2cc1N1CCN(CC1)C1(C)COCC1F
CCC1C(C1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3F)c(C)cc2cn1
Cc1cc2cnc(NC(=O)C3CC3c3ccccn3)cc2cc1N1CCN(CC1)C1(C)CCOC1
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCC(F)(F)CO3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCC(F)(F)CO3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCCOC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CCCOC3)ncc2cc1Cl |r|
CC(C)(O)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CC(C)(O)[C@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
COC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
COC(C)(C)[C@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
COC(C)(C)[C@H]1C[C@@H](C1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |wU:5.4,23.25,wD:7.9,28.31,(-8.55,1.86,;-7.22,2.63,;-5.89,1.86,;-6.66,.53,;-5.12,3.19,;-4.55,1.09,;-3.07,1.49,;-2.67,,;-4.15,-.4,;-1.33,-.77,;-1.33,-2.31,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.67,1.54,;10.67,,;9.34,-.77,;12,2.31,;12.63,.9,;11.1,3.56,;12,4.8,;13.47,4.33,;13.47,2.79,;14.71,1.88,;6.67,-2.31,;8,-3.08,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,)|
COC(C)(C)[C@H]1C[C@@H](C1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1 |wU:5.4,28.31,wD:7.9,23.25,(-8.55,1.86,;-7.22,2.63,;-5.89,1.86,;-6.66,.53,;-5.12,3.19,;-4.55,1.09,;-3.07,1.49,;-2.67,,;-4.15,-.4,;-1.33,-.77,;-1.33,-2.31,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.67,1.54,;10.67,,;9.34,-.77,;12,2.31,;12.63,.9,;11.1,3.56,;12,4.8,;13.47,4.33,;13.47,2.79,;14.71,1.88,;6.67,-2.31,;8,-3.08,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,)|
CCO[C@H]1C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CCO[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@H]3c3cccs3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)C3C[C@H]3c3cccs3)ncc2cc1Cl |r|
C[C@H]1[C@H]([C@@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
C[C@@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
Cn1ccc(n1)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
Cn1ccc(n1)[C@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
CC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CC(C)Cn1nccc1[C@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CC(C)n1nccc1[C@@H]1C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CC(C)n1nccc1[C@H]1C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CCO[C@H]1C[C@@]2(C[C@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@]4(C)COC[C@@H]4F)c(Cl)cc3cn2)C1 |wU:3.2,5.5,7.8,22.24,wD:27.30,(-8.76,-4.17,;-7.43,-3.4,;-7.43,-1.86,;-6.09,-1.09,;-5.69,.4,;-4.21,,;-3.44,1.33,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.67,1.54,;10.67,,;9.34,-.77,;12,2.31,;12.63,.9,;11.1,3.56,;12,4.8,;13.47,4.33,;13.47,2.79,;14.71,1.88,;6.67,-2.31,;8,-3.08,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;-4.61,-1.49,)|
CCO[C@H]1C[C@@]2(C[C@@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@]4(C)COC[C@@H]4F)c(Cl)cc3cn2)C1 |wU:22.24,wD:3.2,5.5,7.8,27.30,(-8.76,-4.17,;-7.43,-3.4,;-7.43,-1.86,;-6.09,-1.09,;-4.61,-1.49,;-4.21,,;-3.44,1.33,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.67,1.54,;10.67,,;9.34,-.77,;12,2.31,;12.63,.9,;11.1,3.56,;12,4.8,;13.47,4.33,;13.47,2.79,;14.71,1.88,;6.67,-2.31,;8,-3.08,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;-5.69,.4,)|
Cn1ncc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@]4(C)CCOC4)c(Cl)cc3cn2)c1C(F)(F)F |r|
Cn1ncc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@@]4(C)CCOC4)c(Cl)cc3cn2)c1C(F)(F)F |r|
Cn1ncc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@]4(C)CCOC4)c(Cl)cc3cn2)c1C(F)(F)F |r|
Cn1ncc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@@]4(C)CCOC4)c(Cl)cc3cn2)c1C(F)(F)F |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3ccco3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3ccco3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C3CCOCC3)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@H]3C3CCOCC3)ncc2cc1Cl |r|
Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3C(F)(F)F)cc2cc1N1CCN(CC1)[C@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3C(F)(F)F)cc2cc1N1CCN(CC1)[C@@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3C(F)(F)F)cc2cc1N1CCN(CC1)[C@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3C(F)(F)F)cc2cc1N1CCN(CC1)[C@@]1(C)CCOC1 |r|
CC[C@H]1[C@H]([C@@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)CCOC3)c(C)cc2cn1 |r|
CC[C@@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)CCOC3)c(C)cc2cn1 |r|
C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H](C3)C#N)ncc2cc1Cl |wU:1.0,21.22,wD:5.6,23.27,(-3.1,3.56,;-4,2.31,;-4.63,.9,;-6.16,1.06,;-6.48,2.57,;-5.15,3.34,;-4.98,4.87,;-2.67,1.54,;-1.33,2.31,;,1.54,;;-1.33,-.77,;-2.67,,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;6.67,2.31,;9.34,2.31,;9.73,3.8,;11.22,3.4,;10.82,1.91,;12.56,4.17,;13.89,4.94,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,)|
C[C@@]1(COC[C@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H](C3)C#N)ncc2cc1Cl |wU:5.6,21.22,wD:1.0,23.27,(-3.1,3.56,;-4,2.31,;-4.63,.9,;-6.16,1.06,;-6.48,2.57,;-5.15,3.34,;-4.98,4.87,;-2.67,1.54,;-1.33,2.31,;,1.54,;;-1.33,-.77,;-2.67,,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;6.67,2.31,;9.34,2.31,;9.73,3.8,;11.22,3.4,;10.82,1.91,;12.56,4.17,;13.89,4.94,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,)|
Cc1cc2cnc(NC(=O)[C@@H]3CCOCC3(C)C)cc2cc1N1CCN(CC1)[C@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@@H]3CCOCC3(C)C)cc2cc1N1CCN(CC1)[C@@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@H]3CCOCC3(C)C)cc2cc1N1CCN(CC1)[C@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@H]3CCOCC3(C)C)cc2cc1N1CCN(CC1)[C@@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@@H]3C4CCOCC34)cc2cc1N1CCN(CC1)[C@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@@H]3C4CCOCC34)cc2cc1N1CCN(CC1)[C@@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@H]3C4CCOCC34)cc2cc1N1CCN(CC1)[C@]1(C)CCOC1 |r|
Cc1cc2cnc(NC(=O)[C@H]3C4CCOCC34)cc2cc1N1CCN(CC1)[C@@]1(C)CCOC1 |r|
CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(Cl)cc2cn1 |r|
CC[C@@H]1[C@@H]([C@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
CC[C@@H]1[C@@H]([C@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(Cl)cc2cn1 |r|
C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1 |r|
C[C@@H]1[C@@H]([C@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
C[C@@H]1[C@@H]([C@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1 |r|
C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(C)cc2cn1 |r|
C[C@@H]1[C@@H]([C@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(C)cc2cn1 |r|
Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccn(C)n3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1F |r|
Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccn(C)n3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1F |r|
Cn1ncc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@]4(C)COC[C@@H]4F)c(Cl)cc3cn2)c1C(F)(F)F |r|
Cn1ncc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@@]4(C)COC[C@H]4F)c(Cl)cc3cn2)c1C(F)(F)F |r|
CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1 |r|
C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC[C@H]3C#N)ncc2cc1Cl
C[C@@]1(COC[C@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC[C@H]3C#N)ncc2cc1Cl
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C3CCOCC3)ncc2cc1Cl |r|
C[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
C[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(Cl)cc2cn1 |r|
Cc1cc2cnc(NC(=O)[C@@H]3CC33CC3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1F |r|
Cc1cc2cnc(NC(=O)[C@@H]3CC33CC3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1F |r|
C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)F)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)F)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)F)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)F)ncc2cc1Cl |r|
C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CC3)ncc2cc1Cl |r|
C[C@@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1)C1CCOC1 |r|
C[C@@]1(C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1)C1CCOC1 |r|
C[C@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1)C1CCOC1 |r|
C[C@]1(C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1)C1CCOC1 |r|
C[C@@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)C1CCOC1 |r|
C[C@@]1(C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)C1CCOC1 |r|
C[C@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)C1CCOC1 |r|
C[C@]1(C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)C1CCOC1 |r|
CC[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
CC[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@H]3F)c(Cl)cc2cn1 |r|
CC1(C)[C@H]([C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1)C1CCCCO1 |r|
CC1(C)[C@H]([C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)C1CCCCO1 |r|
CC1(C)C[C@H](CO1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
CC1(C)C[C@H](CO1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(Cl)cc2cn1 |r|
CC1(C)C[C@@H](CO1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1 |r|
CC1(C)C[C@@H](CO1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(Cl)cc2cn1 |r|
C[C@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)c1ccccn1 |r|
C[C@@]1(C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)c1ccccn1 |r|
C[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
C[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1 |r|
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC[C@H]3c3ccccn3)ncc2cc1Cl
C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3CC[C@@H]3c3ccccn3)ncc2cc1Cl
C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1CC=C |r|
COc1cc2cnc(NC(=O)[C@@H]3CC33CCOCC3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1O |r|
C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl)[C@@]1(C)COC[C@H]1O |r|
C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl)[C@]1(C)COC[C@@H]1O |r|
C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1C)[C@@]1(C)COC[C@H]1O |r|
C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1C)[C@]1(C)COC[C@@H]1O |r|
Cn1ncc(n1)C1CC1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1 |r|
Cn1ncc(n1)C1CC1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1 |r|
Cn1ncc(n1)C1CC1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@]3(C)O)c(Cl)cc2cn1 |r|
C[C@@]1(O)COC[C@]1(C)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl |r|
C[C@@]1(COC[C@H]1C#N)N1CCN(CC1)c1cc2cc(NC(=O)C3CC33CCOCC3)ncc2cc1Cl |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|
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|
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(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|
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|
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
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(Cn2cncn2)nc2cnc3ccc(Cl)cc3c12
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|
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|
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(C)nc3OC3COC3)nc12)C#N |r|
CO[C@@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC(C)C)nc12)C#N |r|
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|
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
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
CCOc1nc(Nc2ccc(cc2OC)[C@H](N2CCOCC2)C(F)(F)F)nc2[nH]ccc12 |r|
COc1cc(ccc1Nc1nc(OCC(F)(F)F)c2cc[nH]c2n1)C(N1CCOCC1)C(F)(F)F
COc1cc(ccc1Nc1nc(OCC(F)(F)F)c2cc[nH]c2n1)C(N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |r,THB:24:25:31.30:28|
CCOc1nc(Nc2ccc(cc2OC)C(N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)nc2[nH]ccc12 |r,THB:15:16:22.21:19|
COCCOc1nc(Nc2ccc(cc2OC)C(N2CCOCC2)C(F)(F)F)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2F)C(N2CCOCC2)C(F)(F)F)nc2[nH]ccc12
COc1cc(ccc1Nc1ncc2cc[nH]c2n1)C(N1CCOCC1)C(F)(F)F
COc1cc(ccc1Nc1nc(C)c2cc[nH]c2n1)C(N1CCOCC1)C(F)(F)F
CCc1nc(Nc2ccc(cc2OC)C(N2CCOCC2)C(F)(F)F)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2Cl)C(N2CCOCC2)C(F)(F)F)nc2[nH]ccc12
COc1nc(Nc2ccc(cc2Cl)C(N2CCOCC2)C(F)(F)F)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2CC)C(N2CCOCC2)C(F)(F)F)nc2[nH]ccc12
COc1cc(ccc1Nc1nc(OCCO)c2cc[nH]c2n1)C(N1CCOCC1)C(F)(F)F
CCOc1nc(Nc2ccc(cc2OC)C(N2CCN(C)CC2)C(F)(F)F)nc2[nH]ccc12
CCOc1nc(Nc2ccc(cc2OC)C(N2CCN3CCC[C@@H]3C2)C(F)(F)F)nc2[nH]ccc12 |r|
CCOc1nc(Nc2ccc(cc2OC)C(N2C[C@H]3C[C@@H]2CO3)C(F)(F)F)nc2[nH]ccc12 |r,THB:15:16:22.21:19|
CCOc1nc(Nc2ccc(cc2OC)[C@](C)(N2CCOCC2)C(F)(F)F)nc2[nH]ccc12 |r|
CCOc1nc(Nc2ccc(cc2OC)[C@@](C)(N2CCOCC2)C(F)(F)F)nc2[nH]ccc12 |r|
CCOc1nc(Nc2ccc(cc2OC)C2(CC2)N2CCOCC2)nc2[nH]ccc12
CCOc1nc(Nc2cc(F)c(cc2OC)C2(CC2)N2CCOCC2)nc2[nH]ccc12
CNc1nc(Nc2cc(F)c(cc2OC)C2(CC2)N2CCOCC2)ncc1C(F)(F)F
COc1cc(c(F)cc1Nc1nc(OC)c2cc[nH]c2n1)C1(CC1)N1CCOCC1
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
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
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC2(CC1C2)C(C)(C)O |(10.01,-.77,;
C[C@H]1CN(C[C@@H](C)[C@@]1(C)O)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(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|
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F |r|
COC1CN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@@H](CF)C1 |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(C)(C1)C(C)(C)O
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(O)C1
CO[C@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
CC(C)(O)C12CC(C1)N(C2)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |(-10.4,-2.1,;-9.63,-.77,;-10.4,.56,;-11.17,-.77,;-8.09,-.77,;-7.18,-2.02,;-5.72,-1.54,;-6.6,-.37,;-5.72,,;-7.18,.48,;-4.39,.77,;-4.39,2.31,;-3.05,3.08,;-1.72,2.31,;-1.72,.77,;-.38,,;-.38,-1.54,;-1.72,-2.31,;.95,-2.31,;.95,-3.85,;2.28,-4.62,;3.62,-3.85,;3.62,-2.31,;2.28,-1.54,;4.95,-1.54,;4.95,,;6.41,.48,;7.32,-.77,;8.86,-.77,;9.63,.56,;11.17,.56,;8.86,1.9,;10.4,1.9,;6.41,-2.02,;-3.05,,;-.38,3.08,;.95,2.31,;-.38,4.62,;.95,3.85,)|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(C)(O)C1
C[C@@H]1[C@H](O)CCN1c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
C[C@@H]1[C@@H](O)CCN1c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
CC(C)(O)C1(O)CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F
CC1CN(CC1C(C)(C)O)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F
CC(C)(O)C1(C)CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F
OC1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F
CC1CC(O)CN1c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F
CC1(O)CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F
CC1(O)CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(O)(C1)C(F)F
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCCC(C)(O)C1
C[C@H]1CN(CCN1C1COC1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(C)c2)c1)C(F)(F)F |r|
C[C@H]1CN(CCN1C1COC1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F |r|
OC1(CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F)C1CC1
CC(C)(O)C16CC(C1)N(c5cnc(C(F)(F)F)c(NC(=O)c4cccc(c3cnn(CC2(C#N)CC2)c3)n4)c5)C6
C[C@@H]1CN(C(=O)C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C#N)c2)c1)C(F)(F)F |r|
C[C@H]1CN(CCN1C1COC1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C#N)c2)c1)C(F)(F)F |r|
FC(F)(F)c1ncc(cc1NC(=O)c1cccc(n1)-c1cnn(CC2(CC2)C#N)c1)N1CCC2(CC2)C1
FC(F)(F)c1ncc(cc1NC(=O)c1cccc(n1)-c1cnn(CC2(CC2)C#N)c1)N1CCC(F)(F)C1
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|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC2(CC1C2)C(C)(C)O |(10.4,.56,;9.63,-.77,;8.09,-.77,;7.18,-2.02,;5.72,-1.54,;5.72,,;7.18,.48,;4.39,-2.31,;4.39,-3.85,;3.05,-4.62,;1.72,-3.85,;1.72,-2.31,;3.05,-1.54,;.39,-1.54,;-.95,-2.31,;.39
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC(O)CC1C
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(C)(O)C1
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCN(C2COC2)[C@@H](C)C1 |r|
COC1CN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(c2)C2CCC2)c1)C(F)(F)F
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(c2)C2CCC2)c1)C(F)(F)F |r|
C[C@H]1CN(CCN1C1COC1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(c2)C2CCC2)c1)C(F)(F)F |r|
Cc1ncc(cc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CCC(C1)C(F)(F)F
Cc1ncc(cc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CCC(F)(F)C1
C[C@H]1CN(C[C@@H](C)O1)c1cnc(C)c(NC(=O)c2cccc(n2)-c2cnn(C)c2)c1 |r|
Cc1ncc(cc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CCC(CF)C1
C[C@@H]1CN(C(=O)C1)c1cnc(C)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1 |r|
C[C@H]1CN(CCN1C1COC1)c1cnc(C)c(NC(=O)c2cccc(n2)-c2cnn(C)c2)c1 |r|
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cn[nH]c2)c1)C(F)(F)F |r|
CC(C)(O)C12CC(C1)N(C2)c1cnc(c(NC(=O)c2cccc(n2)-c2cn[nH]c2)c1)C(F)(F)F |(-8.47,-2.1,;-7.7,-.77,;-8.47,.56,;-9.24,-.77,;-6.16,-.77,;-5.26,-2.02,;-3.79,-1.54,;-4.62,-.77,;-3.79,,;-5.26,.48,;-2.46,.77,;-2.46,2.31,;-1.13,3.08,;.21,2.31,;.21,.77,;1.54,,;1.54,-1.54,;.21,-2.31,;2.87,-2.31,;2.87,-3.85,;4.21,-4.62,;5.54,-3.85,;5
C[C@H]1CN(C[C@@H](C)[C@@]1(C)O)c1cnc(c(NC(=O)c2cccc(n2)-c2cn[nH]c2)c1)C(F)(F)F |r|
C[C@H]1CN(CCN1C1COC1)c1cnc(c(NC(=O)c2cccc(n2)-c2cn[nH]c2)c1)C(F)(F)F |r|
C[C@@H]1CN(C(=O)C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cn[nH]c2)c1)C(F)(F)F |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CC[C@H](C1)C(C)(C)O |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CC2(CC1C2)C(C)(C)O |(9.13,1.91,;8.34,.58,;6.87,.1,;6.87,-1.44,;8.34,-1.91,;9.24,-.67,;5.54,-2.21,;5.54,-3.75,;4.21,-4.52,;2.87,-3.75,;2.87,-2.21,;4.21,-1.44,;1.54,-1.44,;.21,-2.21,;1.54,.1,;.21,.87,;-1.13,.1,;-2.46,.87,;-2.46,2.41,;-1.13,3.18,;.21,2.41,;1.54,3.18,;3.08,3.18,;2.31,4.52,;-3.79,.1,;-5.26,.58,;-6.16,-.67,;-5.26,-1.91,;-3.79,-1.44,;-4.68,-.67,;-7.7,-.67,;-8.47,-2,;-8.47,.67,;-9.24,-.67,)|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CCCC1=O
FC(F)(F)Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CCCC1=O
C[C@@H]1CN(C(=O)C1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1 |r|
C[C@H]1CN(C(=O)C1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1 |r|
FC(F)(F)Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CCCCC1=O
CC1(C)CCCN(C1=O)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1
CC1(C)CN(C(=O)C1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1
CN1CCN(C(=O)C1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1
CN1CCN(C(=O)C1(C)C)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1
CC1(C)CCN(C1=O)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1
FC(F)(F)Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CC2(CC2)CC1=O
C[C@@H]1CN(CCN1C1COC1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1 |r|
C[C@H]1CN(CCN1C1COC1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1 |r|
C[C@H]1CN(C[C@@H](C)N1C1COC1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1 |r|
CO[C@H]1CCN(C1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1 |r|
FC(F)(F)Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1[C@H]2CC[C@H](C2)C1=O |r|
CN1CCOC2(CN(C2)c2cnc(C3CC3)c(NC(=O)c3cccc(n3)-c3cnn(CC(F)(F)F)c3)c2)C1
FC(F)(F)Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CCC2(CCC2)C1=O
FC(F)(F)Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CCC2(CCCC2)C1=O
C[C@H]1CN(CCN1C1COC1)c1cnc(C2CC2)c(NC(=O)c2cccc(n2)-c2cnn(C)c2)c1 |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C1CC1)N1CCC2(COC2)CC1
CO[C@@H]1CN(C[C@H]1C(C)(C)O)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F
CO[C@]1(CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F)C(C)(C)O |r|
CO[C@@]1(CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F)C(C)(C)O |r|
CO[C@]1(CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F)C(C)(C)O |r|
CO[C@@H]1CN(C[C@H]1C(C)(C)O)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@](C1)(OC)C(C)(C)O |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@@](C1)(OC)C(C)(C)O |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1C[C@H](OC)[C@H](C1)C(C)(C)O |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1C[C@@H](OC)[C@@H](C1)C(C)(C)O |r|
CC(n1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O)C(F)(F)F |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|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1C[C@]2(CC1C2)C(C)(C)O |r,wU:27.35,(10.01,-.77,;8.47,-.77,;7.57,-2.02,;6.1,-1.54,;6.1,,;7.57,.48,;4.77,-2.31,;4.77,-3.85,;3.44,-4.62,;2.1,-3.85,;2.1,-2.31,;3.44,-1.54,;.77,-1.54,;-.56,-2.31,;.77,,;-.56,.77,;-1.9,,;-3.23,.77,;-3.23,2.31,;-1.9,3.08,;-.56,2.31,;.77,3.08,;.77,4.62,;2.1,2.31,;2.1,3.85,;-4.56,,;-6.03,.48,;-6.93,-.77,;-6.03,-2.02,;-4.56,-1.54,;-5.45,-.37,;-8.47,-.77,;-9.24,.56,;-9.24,-2.1,;-10.01,-.77,)|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC2COCC2C1
C[C@@H]1C[C@@H](O)CN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
C[C@H]1C[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)CN1c1cc(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)N1CC(O)C1
CC1C(O)CCN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F
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(C1)C(C)(C)O
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CCC(C1)C(F)F
CC(C)(O)[C@@H]1CCN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c(cn1)C(F)(F)F |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CCC(C)(O)C1
C[C@H]1CN(CCN1C1COC1)c1cc(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)N1CCC(CC1)C1COC1
Cc1cnc(cc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CC[C@H](C1)C(C)(C)O |r|
CC(C)(O)[C@@H]1CCN(C1)c1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)c(cn1)C(F)(F)F |r|
C[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)c(cn1)C(F)(F)F |r|
C[C@@H]1C[C@@H](O)CN1c1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)c(cn1)C(F)(F)F |r|
C[C@H]1C[C@@H](O)CN1c1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)c(cn1)C(F)(F)F |r|
Cc1cnc(cc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CCOCC1
Cc1cnc(cc1NC(=O)c1cccc(n1)-c1cnn(CC2CC2)c1)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c(C)cn1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c(C)cn1 |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1C[C@H](C)O[C@H](C)C1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C(F)(F)F)c2)c(C)cn1 |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C)N1C[C@H](C)O[C@H](C)C1 |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C)N1CCOCC1
Cc1cnc(cc1NC(=O)c1cccc(n1)-c1cnn(c1)C1CCC1)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C2CCC2)c(C)cn1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)c(C)cn1 |r|
Cc1cnc(cc1NC(=O)c1cccc(n1)-c1cn[nH]c1)N1CCOCC1
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(C)c2)cc(n1)C1CC[C@H](C1)C(C)(C)O |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncn1)C1CC[C@H](C1)C(C)(C)O |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)ncn1 |r|
C[C@H]1CN(C[C@@H](C)[C@@H]1O)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)ncn1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(C)O)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)ncn1 |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncn1)N1CC2(CC1C2)C(C)(C)O |(10.01,,;8.47,,;7.57,
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncn1)N1CCC2(CCCC2)C1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncn1)N1CCC2(CC2(F)F)C1
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(C)c2)cc(n1)N1CCC2(CC2(F)F)C1
C[C@H]1CN(C[C@@H](C)[C@]1(C)O)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)nc(C)n1 |r|
CC(C)(O)[C@@H]1CCN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)ncn1 |r|
FC(F)(F)Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncn1)N1CCN(CC1)C1COC1
C[C@H]1CC(C[C@@H](C)[C@]1(C)O)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)ncn1 |r|
CC1(COC1)N1CCN(CC1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)ncn1
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)cc(n1)N1CCC(C1)C(C)(C)C#N
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(nc(n1)C1CC1)N1CC[C@H](C1)C(C)(C)C#N |r|
CC(C)(C#N)[C@@H]1CCN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)nc(n1)C1CC1 |r|
C[C@H]1CN(C[C@@H](C)[C@@]1(C)O)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)nc(n1)C1CC1 |r|
CC1(O)CCN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)nc(n1)C1CC1
FC1CN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)nc(n1)C1CC1
FC1(F)CN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)nc(n1)C1CC1
C[C@H]1CC(C[C@@H](C)[C@@]1(C)O)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)nc(n1)C1CC1 |r|
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)cc(n1)N1CC[C@H](C1)C(C)(C)O |r|
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)cc(n1)N1CC[C@H](C1)C(C)(C)O |r|
C[C@H]1CC(C[C@@H](C)[C@@]1(C)O)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)nc(C)n1 |r|
C[C@H]1CC(C[C@@H](C)[C@@]1(C)O)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C#N)c2)nc(C)n1
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C#N)c2)cc(n1)N1CCC2(CC2(F)F)C1
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C(F)(F)F)c2)cc(n1)N1CC[C@H](C1)C(C)(C)O |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(nc(C)n1)N1CC[C@H](C1)C(C)(C)O |r|
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(nc(C)n1)C1C[C@H](C)[C@](C)(O)[C@H](C)C1 |r|
C[C@H]1CN(CCN1C1COC1)c1cc(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C#N)c2)ncn1 |r|
C[C@H]1CC(C[C@@H](C)[C@@]1(C)O)c1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)nc(C)n1 |r|
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(C)c2)cc(n1)N1CC[C@H](C1)C(C)(C)F |r|
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)cc(n1)N1CC[C@H](C1)C(C)(C)F |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnn1)N1CC[C@H](C1)C(C)(C)O |r|
Cc1nnc(cc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CC[C@@H](C1)C(C)(C)O |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(nnc1C1CC1)N1CC[C@@H](C1)C(C)(C)O |r|
Cc1cc(cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)n1)N1CC[C@H](C1)C(C)(C)O |r|
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ccn1)N1CC[C@H](C1)C(C)(C)O |r|
Cc1cc(cc(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)n1)N1CC[C@H](C1)C(C)(C)O |r|
C[C@H]1CN(C[C@@H](C)[C@]1(C)O)c1cc(C)nc(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1 |r|
FC(F)(F)CNc1nccc2[nH]nc(-c3ccccn3)c12
C[C@H]4CN(c3cc(c1n[nH]c2ccnc(NCC(F)(F)F)c12)ncn3)C[C@@H](C)O4
C[C@H]4CN(c3cc(c1n[nH]c2ccnc(NC(C)C(F)(F)F)c12)ncn3)C[C@@H](C)O4
C[C@@H]1CN(c2cc(-c3n[nH]c4ccnc(NC5(C)CC5)c34)ncn2)C[C@H](C)O1
C[C@@H]1CC(Nc2nccc3[nH]nc(-c4cc(N5C[C@@H](C)O[C@@H](C)C5)ncn4)c23)C[C@H](C)O1
C[C@@H]1C[C@H](Nc2nccc3[nH]nc(-c4cc(N5C[C@@H]6C[C@H]5CO6)ncn4)c23)C[C@H](C)O1
C[C@@H]1C[C@H](Nc2nccc3[nH]nc(-c4cc(N5C[C@H]6C[C@@H]5CO6)ncn4)c23)C[C@H](C)O1
C[C@@H]1C[C@@H](Nc2nccc3[nH]nc(-c4cc(N5C[C@H]6C[C@@H]5CO6)ncn4)c23)C[C@H](C)O1
FC(F)(F)CNc4nccc5[nH]nc(c3cc(N1C[C@@H]2C[C@H]1CO2)ncn3)c45
CCNc1nccc2[nH]nc(-c3cc(N4C[C@H]5C[C@@H]4CO5)ncn3)c12
CC(C)n1cc(-c2n[nH]c3ccnc(NCC(F)(F)F)c23)cn1
FC(F)(F)CNc4nccc5[nH]nc(c3cc(N1C2CCC1COC2)ncn3)c45
N#CC1(c2cc(-c3n[nH]c4ccnc(NCC(F)(F)F)c34)ncn2)CCC1
O[C@@H]1C[C@H](O)CN(c2cc(-c3n[nH]c4ccnc(NCC(F)(F)F)c34)ncn2)C1
C[C@H]4CN(c3cc(c1n[nH]c2ccnc(N[C@@H](C)C(F)(F)F)c12)ncn3)C[C@@H](C)O4
C[C@H]1CN(c2cc(-c3n[nH]c4ccnc(N[C@H](C)C(F)(F)F)c34)ncn2)C[C@H](C)O1