3995 SMILES Strings for Cyclin-T1/Cyclin-dependent kinase 9

Compound Name
SMILES String
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2cc(F)c(F)cc2OC)c1
COc1cc(F)c(F)cc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(Cl)cc2OC)c1
COc1cc(Cl)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1
CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1
CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc3OC(F)(F)Oc23)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc3OC(F)(F)Oc23)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2cc(F)ccc2OC)c1
COc1ccc(F)cc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(C)=O)c2)n1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccccc2OC)c1
COc1ccccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc3CCCOc23)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc3CCCOc23)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc3CCOc23)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc3CCOc23)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc3OCCOc23)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc3OCCOc23)c1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC)c2)n1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccccc2OCc2ccc(F)cc2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccccc2OCc2ccc(F)cc2)c1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NS(C)(=O)=O)c2)n1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2cccc(Cl)c2OC)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2cc(F)ccc2OCC2CCOCC2)c1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccccc2Oc2ccccc2)c1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC#N)c2)n1
CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1
COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=N)=O)c2)n1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC2CCCCC2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCCC2CCOCC2)c1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=N)(=O)C3CCOCC3)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2ccc(Cl)c(CS(C)(=N)=O)c2)n1
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1
CC(Oc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1)C1CCCC1
COc1cc(F)ccc1-c1ncnc(Nc2cc(Cl)cc(CS(C)(=N)=O)c2)n1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCCC(F)(F)F)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccnc2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccn2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccncc2)c1
CC(Oc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1)c1ccc(F)cc1
COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1
CC#CCOc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCCC2CC2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC#C)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)c(F)c2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cncs2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC=C)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(cc2)C(F)(F)F)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(Cl)cc2)c1
CCOc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(c2)C(F)(F)F)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(F)c2)c1
CCCOc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(Cl)c2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccon2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(Cl)c2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC(F)F)c1
Cc1cc(COc2cc(F)ccc2-c2ncnc(Nc3cccc(CS(C)(=N)=O)c3)n2)ccc1F
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)c(Cl)c2)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(c2)C#N)c1
CC(=C)COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCCCC(F)(F)F)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(F)c2F)c1
C\C=C/COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)c(F)cc2F)c1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)c(F)c(F)c2)c1
COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)n1
CCS(=O)(Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1)=NC#N
CCS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1
COc1cc(F)ccc1-c1ncnc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)n1
CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC(=C)CO)c1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Nc1n[nH]c(N)c1\N=N\c1ccccc1
Nc1n[nH]c(N)c1\N=N\c1ccccc1[N+]([O-])=O
Nc1n[nH]c(N)c1\N=N\c1cccc(c1)[N+]([O-])=O
Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
c1cc(ccc1/N=N\c2c([nH]nc2N)N)O
Nc1n[nH]c(N)c1\N=N\c1ccccc1CO
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCCNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CCCNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCCNC1
COc1ccc(N)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
COc1ccc(cc1-c1ccnc2[nH]c(cc12)C1CCCNC1)C1=NCCN1 |t:27|
COc1ccc(cc1-c1ccnc2[nH]c(cc12)C1CCCNC1)C1CC1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCCN(C)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(C)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(C1)C(C)=O
Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
CN1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccccc2)ccc1Cl
CN1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2)n1
COc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
CC(C)S(=O)(=O)N1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccccc2)ccc1Cl
COC(=O)N1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccccc2)ccc1Cl
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1cc(Cl)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1cccnc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccc(N)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccc(Cl)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccc(C)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1c(Cl)cccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccc(F)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
COc1ccc(C)cc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
COc1ccncc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1c(Cl)ccc(N)c1Nc1ccccc1 |(-8.53,.77,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,)|
Fc1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Clc1ccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
Fc1ccc(F)c(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Fc1cncc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Fc1ccccc1CNc1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
Fc1ccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1F
Clc1ccc(NCc2ccncc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
[O-][n+]1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Clc1ccc(NCC2CCNCC2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Clc1ccc(NCC2CCCNC2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Clc1ccc(nc1-c1ccnc2[nH]c(cc12)C1CCNCC1)-c1ccccc1
Clc1ccc(NC(=O)c2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
CN(Cc1ccccc1)c1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
CCN(Cc1ccccc1)c1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
Clc1ccc(NCC2CCOCC2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Clc1ccc(NCC2CCCOC2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Clc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Clc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccccc2)ccc1Cl
C[C@H](Nc1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)c1ccccc1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(F)c2)ccc1Cl
Clc1ccc(OCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCNC1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CCNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C)C1
Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCNC1
Clc1ccc(NCC2CCOCC2)nc1-c1ccnc2[nH]c(cc12)C1CCNC1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CNCCO1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CNCCO1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CN(C)CCO1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(C)CCO1
Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CNCCO1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CNC(C)(C)CO1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CNC(C)(C)CO1
COc1cc(Cl)ccc1-c1ccnc2[nH]c(cc12)C1CNC(C)(C)CO1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@H](N)CC1 |r,wU:21.24,wD:18.20,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-8.53,.77,;-6.22,-.56,;-4.68,-.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCC(N)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)c(C)c12
Clc1cnc2[nH]c(cc2c1-c1cccc(NCc2ccccc2)n1)C1CCNCC1
Fc1cccc(c1)-c1c(Cl)cnc2[nH]c(cc12)C1CCCNC1
Fc1cccc(n1)-c1c(Cl)cnc2[nH]c(cc12)C1CCCNC1
Clc1cnc2[nH]c(cc2c1-c1cccc(NCc2ccccc2)n1)C1CCCNC1
Clc1cnc2[nH]c(cc2c1-c1cccc(NCC2CCOCC2)n1)C1CCCNC1
CN1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(NCc2ccccc2)n1
COC(=O)N1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(NCc2ccccc2)n1
CC(C)S(=O)(=O)N1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(NCc2ccccc2)n1
NC1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(F)c1
NC1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(NCc2ccccc2)n1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
C(Nc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)C1CCOCC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CCOCC2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCCc2ccccc2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccnc2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCSc2ccccc2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CC2)n1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CCOC(C)(C)C2)n1
CN(Cc1ccccc1)c1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccc(Cl)c2)n1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN1C(C)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(C)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:21|
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2c(F)cccc2F)n1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN1C
C[C@H](Nc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1)c1ccccc1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccc3OCOc3c2)n1
Nc1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
C(CSc1ccccc1)Nc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C1)C(C)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C1)C1CCOCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccccn2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2cccnc2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccncc2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC2CCCOC2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCNC(=O)OC(C)(C)C)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C1)C1CCN(C1)C(=O)OC(C)(C)C
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC2CCOCC2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCN2CCOCC2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
COC(=O)CCCN[C@H]1CC[C@@H](CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |wU:8.7,wD:11.14,(16.52,4.19,;15.18,3.42,;13.85,4.19,;13.85,5.73,;12.52,3.42,;11.18,4.19,;9.85,3.42,;8.51,4.19,;7.18,3.42,;7.18,1.88,;5.85,1.11,;4.51,1.88,;4.51,3.42,;5.85,4.19,;3.18,1.11,;3.02,-.42,;1.51,-.74,;.74,-2.07,;-.8,-2.07,;-1.57,-.74,;-.8,.59,;.74,.59,;1.77,1.74,;1.51,-3.41,;.74,-4.74,;1.51,-6.07,;.74,-7.41,;3.05,-6.07,;3.82,-4.74,;3.05,-3.41,;3.82,-2.07,;5.36,-2.07,)|
CCOC(=O)C1CC1CN[C@H]1CC[C@@H](CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |wU:10.10,wD:13.17,(-7.71,3.19,;-6.17,3.19,;-5.4,1.85,;-3.86,1.85,;-3.09,3.19,;-3.09,.52,;-3.09,-1.02,;-1.76,-.25,;-.22,-.25,;.55,-1.58,;2.09,-1.58,;2.86,-.25,;4.4,-.25,;5.17,-1.58,;4.4,-2.92,;2.86,-2.92,;6.71,-1.58,;7.62,-.34,;9.08,-.81,;10.42,-.04,;11.75,-.81,;11.75,-2.35,;10.42,-3.12,;9.08,-2.35,;7.62,-2.83,;10.42,1.5,;11.75,2.27,;11.75,3.81,;13.08,4.58,;10.42,4.58,;9.08,3.81,;9.08,2.27,;7.75,1.5,;6.42,2.27,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NCCN1CCOCC1 |r,wU:21.27,wD:18.20,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-11.61,3.44,;-13.15,3.44,;-13.92,4.77,;-13.15,6.1,;-11.61,6.1,;-10.84,4.77,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NCC(O)CO |wU:21.27,wD:18.20,(5.76,2.85,;7.09,2.08,;8.42,2.85,;8.42,4.39,;9.76,5.16,;11.09,4.39,;12.42,5.16,;11.09,2.85,;9.76,2.08,;9.76,.54,;11.09,-.23,;11.09,-1.77,;9.76,-2.54,;8.42,-1.77,;6.96,-2.25,;6.05,-1,;6.96,.24,;8.42,-.23,;4.51,-1,;3.74,.33,;2.2,.33,;1.43,-1,;2.2,-2.34,;3.74,-2.34,;-.11,-1,;-.88,-2.34,;-2.42,-2.34,;-3.19,-1,;-3.19,-3.67,;-4.73,-3.67,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCN)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C1)C1CCNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CCNCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CCCNC(=O)OCc2ccccc2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CCO)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CCCN)C1
COCCN1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NCCCC(O)=O |wU:21.27,wD:18.20,(7.48,2.45,;8.25,1.12,;9.79,1.12,;10.56,2.45,;12.1,2.45,;12.87,1.12,;14.41,1.12,;12.1,-.22,;10.56,-.22,;9.79,-1.55,;10.56,-2.88,;9.79,-4.22,;8.25,-4.22,;7.48,-2.88,;5.97,-2.56,;5.81,-1.03,;7.21,-.41,;8.25,-1.55,;4.47,-.26,;4.47,1.28,;3.14,2.05,;1.81,1.28,;1.81,-.26,;3.14,-1.03,;.47,2.05,;-.86,1.28,;-2.19,2.05,;-3.53,1.28,;-4.86,2.05,;-6.2,1.28,;-4.86,3.59,)|
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(N)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(Nc2nc(N)ccc2Cl)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCOCC2)ccc1Cl
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CO
COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCCNC1)C#N
C(Cc1ccccc1)Nc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
CN(CCc1ccccc1)c1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2Cl)n1
CN(Cc1ccccc1Cl)c1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
O=C1CCCN1CCNc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
CN(CCN1CCCC1=O)c1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NCC1CC1C(O)=O |wU:21.27,wD:18.20,(5.93,3.05,;7.27,2.28,;8.6,3.05,;8.6,4.59,;9.93,5.36,;11.27,4.59,;12.6,5.36,;11.27,3.05,;9.93,2.28,;9.93,.74,;11.27,-.03,;11.27,-1.57,;9.93,-2.34,;8.6,-1.57,;7.14,-2.05,;6.23,-.8,;7.14,.44,;8.6,-.03,;4.69,-.8,;3.92,.53,;2.38,.53,;1.61,-.8,;2.38,-2.14,;3.92,-2.14,;.07,-.8,;-.7,-2.14,;-2.24,-2.14,;-3.57,-2.91,;-3.57,-1.37,;-4.34,-.03,;-5.88,-.03,;-3.57,1.3,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CN1CCC(O)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)S(C)(=O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(O)CO)CC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCc2ccccc2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCN2CCCC2=O)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CC2)ccc1Cl
CN(C)CCOc1ccc(CNc2cccc(n2)-c2ccnc3[nH]c(cc23)C2CCN(C)CC2)cc1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCOC(C)(C)C2)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccncc2)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cc[nH]n2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccc3CNCc3c2)n1
CN1CCC(CNc2cccc(n2)-c2ccnc3[nH]c(cc23)C2CCN(C)CC2)C1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccc3cc[nH]c3c2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccc(cc2)S(C)(=O)=O)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccc(cc2)S(N)(=O)=O)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccc(cc2)C(N)=O)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCN2CCOCC2)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCO)n1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCNCC2)ccc1Cl
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CCOCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(Cc2ccncc2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(C1)C(C)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(CCN)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(CC2CCOCC2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(CCN2CCOCC2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(CCO)C1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCN(C2)C(=O)OC(C)(C)C)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCS(=O)(=O)CC2)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(OCC(O)=O)c2)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccc(OCC(O)=O)cc2)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCN(CC2)C(C)=O)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2nnc[nH]2)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCC2CCOCC2)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CN1CCCCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CN1CCOCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CNC1CCC(O)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,-.56,;-9.3,2.1,;-10.84,2.1,;-11.61,3.44,;-13.15,3.44,;-13.92,4.77,;-13.15,6.1,;-13.92,7.44,;-11.61,6.1,;-10.84,4.77,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CNCCO
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(C)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(C1)S(C)(=O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
Nc1ccc(F)c(c1)-c1ccnc2[nH]c(cc12)C1CCNCC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(c2)S(C)(=O)=O)ccc1Cl
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccncc2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)S(C)(=O)=O)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)C(N)=O)ccc1F
O[C@@H]1CN[C@@H](CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCCNC1
Fc1ccc(NCc2ccccc2)cc1-c1c(Cl)cnc2[nH]c(cc12)C1CCNCC1 |(-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;4,8.47,;5.33,9.24,;5.33,10.78,;6.67,11.55,;8,10.78,;8,9.24,;6.67,8.47,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,)|
F[C@@H]1CN[C@H](CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)C1
Clc1cnc(NCC2(CCOCC2)C#N)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
FC1(F)CN[C@H](CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)C1
Clc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
CN(Cc1ccccc1)c1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCCNC1
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
Fc1ccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)cc1F
Fc1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)c1
Fc1ccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)cc1
Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
Fc1ccccc1CNc1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCCNC1
Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
Clc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
Fc1cncc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)c1
Fc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
Fc1cc(NCc2ccccc2)nc(c1)-c1ccnc2[nH]c(cc12)C1CCCNC1
Clc1cnc2[nH]c(cc2c1-c1ccnc(NCc2ccccc2)c1)C1CCCNC1
Fc1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCCNC2)c1
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(N)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccc(NC(C)=O)cc2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OC(C)(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N |t:21|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2S(C)(=O)=O |t:21,TLB:26:25:21.22:24.18.19,THB:15:18:21.22:25|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)Nc1cnn(C)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(N)=O)CC1 |t:21|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:12|
CNC(=O)N1CCC(=CC1)c1cc2c(c(Cl)cnc2[nH]1)-c1cc(F)ccc1OC |c:7,(-10.84,-.56,;-9.3,-.56,;-8.53,.77,;-9.3,2.1,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;1.33,6.93,;,6.16,;,4.62,;-1.33,3.85,;-2.67,4.62,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=N)=O |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,-1.9,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,)|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)c(F)cc1OC |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C |t:21,TLB:26:25:21.22:24.18.19|
CN(C)C(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:9|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1)C#N |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,-1.9,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,;4,2.31,;5.33,3.08,)|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(c(F)cnc2[nH]1)-c1cc(F)ccc1OC |c:12,(-13.49,5.51,;-11.95,5.51,;-11.18,4.18,;-9.64,4.18,;-8.87,5.51,;-8.87,2.84,;-7.33,2.84,;-7.33,1.3,;-7.33,4.38,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@H]1C[C@@H](O)CN1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(C)C)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCC[C@H]1C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NC#N |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(N)=O)CC1
CNC(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2CO)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CNC(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1C#N |c:7|
CCOC(=O)NS(=O)(=O)NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:13|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)CCO)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)NC2CC(O)C2)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,3.44,;-13.1,3.84,;-12.7,5.32,;-13.47,6.66,;-11.21,4.92,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(O)C2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(O)=O)C(C)(C)C |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,3.44,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N(C)C)CC1 |t:23|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](C)N(CC1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(O)C2)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.93,3.19,;-13.02,2.1,;-14.56,2.1,;-11.93,1.01,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)[C@H](CO)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](CO)N(CC(=O)N(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N(C)C)CC1 |t:24,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,-1.9,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H]2CN(C[C@@H]2C1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC1)S(C)(=O)=O |t:24,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-8.53,2.31,;-10.07,.77,;-8.53,-.77,)|
CNC(=O)N1CCC(=CC1)c1[nH]c2ncc(F)c(-c3cc(F)ccc3OC)c2c1C#N |c:7,(-10.84,-.56,;-9.3,-.56,;-8.53,.77,;-9.3,2.1,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;1.33,2.31,;1.33,3.85,;,4.62,;,6.16,;-1.33,6.93,;1.33,6.93,;2.67,6.16,;2.67,4.62,;4,3.85,;5.33,4.62,;,1.54,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:24,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.93,.53,;-13.02,-.56,;-14.56,-.56,;-11.93,-1.65,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N2CCC[C@@H]2CO)CC1 |wU:32.36,t:24,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.75,.68,;-13.21,.21,;-13.21,-1.33,;-11.75,-1.81,;-11.27,-3.27,;-12.3,-4.42,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](CO)N(CC(=O)N(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)[C@@H](CO)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(C)(C)N(CC1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(C(C)(C)C1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)C(C)(C)C1 |t:21|
COCCS(=O)(=O)N1CC2CC(=CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1)C#N |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,3.44,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,;4,2.31,;5.33,3.08,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C2CC(O)C2)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,.77,;-11.61,3.44,;-13.1,3.84,;-12.7,5.32,;-13.47,6.66,;-11.21,4.92,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O)C#N |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;-10.19,.77,;-10.19,2.31,;-11.73,.77,;-10.19,-.77,;4,2.31,;5.33,3.08,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)C)CC2C1)C#N |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-10.19,.77,;-10.96,-.56,;-10.19,-1.9,;-12.5,-.56,;-13.27,-1.9,;-13.27,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;4,2.31,;5.33,3.08,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-9.3,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)CO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)CC#N |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;-10.19,.77,;-10.19,2.31,;-11.73,.77,;-10.19,-.77,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1)C#N |wD:29.33,t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.75,.68,;-13.21,.21,;-13.21,-1.33,;-11.75,-1.81,;-11.27,-3.27,;-12.3,-4.42,;-6.22,2.1,;-4.68,2.1,;4,2.31,;5.33,3.08,)|
CNC(=O)N1C[C@@H]2CC(=C[C@@H]2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
CNC(=O)N1C[C@H]2CC(=C[C@H]2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
CNC(=O)N1CC2CC(=CC2C1)c1cc2c(c(F)cnc2[nH]1)-c1cc(F)ccc1OC |c:8,(-12.5,-.56,;-10.96,-.56,;-10.19,.77,;-10.96,2.1,;-8.65,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;1.33,6.93,;,6.16,;,4.62,;-1.33,3.85,;-2.67,4.62,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)C)CC2C1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-10.19,.77,;-10.96,-.56,;-10.19,-1.9,;-12.5,-.56,;-13.27,-1.9,;-13.27,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |wU:24.27,27.31,t:21,(9.6,2.81,;10.93,2.04,;12.27,2.81,;12.27,4.35,;13.6,5.12,;14.93,4.35,;16.27,5.12,;14.93,2.81,;13.6,2.04,;13.6,.5,;14.93,-.27,;14.93,-1.81,;13.6,-2.58,;12.27,-1.81,;10.8,-2.29,;9.9,-1.04,;10.8,.2,;12.27,-.27,;8.36,-1.04,;7.59,-2.38,;6.05,-2.38,;5.28,-1.04,;6.05,.29,;7.59,.29,;3.74,-1.04,;2.97,.29,;1.43,.29,;.66,-1.04,;-.88,-1.04,;-1.65,-2.38,;-3.19,-2.38,;-.88,-3.71,;1.43,-2.38,;2.97,-2.38,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |wU:27.31,wD:24.27,t:21,(9.6,2.81,;10.93,2.04,;12.27,2.81,;12.27,4.35,;13.6,5.12,;14.93,4.35,;16.27,5.12,;14.93,2.81,;13.6,2.04,;13.6,.5,;14.93,-.27,;14.93,-1.81,;13.6,-2.58,;12.27,-1.81,;10.8,-2.29,;9.9,-1.04,;10.8,.2,;12.27,-.27,;8.36,-1.04,;7.59,-2.38,;6.05,-2.38,;5.28,-1.04,;6.05,.29,;7.59,.29,;3.74,-1.04,;2.97,.29,;1.43,.29,;.66,-1.04,;-.88,-1.04,;-1.65,-2.38,;-3.19,-2.38,;-.88,-3.71,;1.43,-2.38,;2.97,-2.38,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2CO)CC1)C#N |wD:29.33,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.75,3.35,;-13.21,2.87,;-13.21,1.33,;-11.75,.86,;-11.27,-.61,;-12.3,-1.75,;-6.22,2.1,;-4.68,2.1,;4,2.31,;5.33,3.08,)|
CNS(=O)(=O)CC(=O)N1CC2CC(=CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:12|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(CC1)C(O)=O |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-11.61,.77,;-10.84,-.56,;-9.3,-.56,;-13.15,.77,;-13.92,-.56,;-13.92,2.1,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CC(O)C3)CC2C1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-10.19,.77,;-10.96,-.56,;-10.19,-1.9,;-12.5,-.56,;-13.59,.53,;-14.68,-.56,;-16.22,-.56,;-13.59,-1.65,;-7.74,-.48,;-6.28,,;-4.82,-.48,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.93,.53,;-13.02,-.56,;-14.56,-.56,;-11.93,-1.65,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CC(O)C3)CC2C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CCC[C@H]3CO)CC2C1 |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC(O)CC2)CC1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,.77,;-13.15,.77,;-13.92,-.56,;-15.46,-.56,;-13.15,-1.9,;-11.61,-1.9,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(CC(O)=O)CC1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-11.61,.77,;-13.15,.77,;-13.92,-.56,;-15.46,-.56,;-13.15,-1.9,;-10.84,-.56,;-9.3,-.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(O)C2)C(C)(C)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)C1CC(O)C1 |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;-10.19,.77,;-10.96,2.1,;-10.96,-.56,;-10.56,-2.05,;-12.05,-2.45,;-12.82,-3.78,;-12.45,-.96,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C)C#N |t:21,TLB:26:25:21.22:24.18.19,THB:15:18:25:21.22,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-5,1.86,;-6.66,1.94,;-8.15,1.54,;-8.15,-0,;-6.33,.45,;-5,-.32,;-5.51,3.37,;-5.91,4.85,;-5.14,6.19,;-3.6,6.19,;-5.53,7.67,;-7.02,8.07,;-4.45,8.76,;4,2.31,;5.33,3.08,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C |t:22,TLB:27:26:22.23:25.19.20,THB:16:19:26:22.23,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-5,1.86,;-6.66,1.94,;-8.15,1.54,;-8.15,-0,;-6.33,.45,;-5,-.32,;-5.51,3.37,;-5.91,4.85,;-5.14,6.19,;-3.6,6.19,;-5.53,7.67,;-7.02,8.07,;-4.45,8.76,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CCC[C@H]3CO)CC2C1)C#N |wD:30.34,t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-10.19,.77,;-10.96,-.56,;-10.19,-1.9,;-12.5,-.56,;-13.4,.68,;-14.87,.21,;-14.87,-1.33,;-13.4,-1.81,;-12.93,-3.27,;-13.96,-4.42,;-7.74,-.48,;-6.28,,;-4.82,-.48,;4,2.31,;5.33,3.08,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N1CC(O)C1 |t:21,TLB:15:18:21.22:25|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N1CCC[C@H]1CO |t:21,TLB:15:18:21.22:25|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)CCO |t:21,TLB:26:25:21.22:24.18.19|
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccccc2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(O)cc2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ncn[nH]2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccccn2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCC2CCOC(C)(C)C2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(ccc1F)N(CC1CCOC(C)(C)C1)CC1CCOC(C)(C)C1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(ccc1F)N(CC1CC1)CC1CC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(c2)S(C)(=O)=O)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C1CC1 |t:21|
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)S(N)(=O)=O)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(O)c2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(Cl)c2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(F)cc2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccccc2F)ccc1F
COc1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCN(C)CC2)c1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(OCC(O)=O)cc2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCC2CCS(=O)(=O)CC2)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CCS(=O)(=O)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCS(=O)(=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CCNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNC1 |t:21|
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(F)c2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(F)cc2F)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2c(F)cccc2F)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CCl |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C(C)C |t:21|
CCCS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:9|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C1CCS(=O)(=O)C1 |t:21|
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)ccc2F)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CC(F)(F)F |t:21|
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccccc2Cl)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(c2)C(O)=O)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)C#N)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccccc2C#N)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(c2)C#N)ccc1F
COCn1cc(CN[C@H]2CC[C@@H](CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)nn1 |r,wU:8.7,wD:11.14,(-15.54,6.22,;-14.29,5.31,;-14.46,3.78,;-13.21,2.87,;-11.75,3.35,;-10.84,2.1,;-9.3,2.1,;-8.53,.77,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-11.75,.86,;-13.21,1.33,)|
COCn1nncc1CN[C@H]1CC[C@@H](CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |r,wU:10.10,wD:13.17,(-9.29,6.6,;-9.76,5.13,;-11.27,4.81,;-11.75,3.35,;-13.21,2.87,;-13.21,1.33,;-11.75,.86,;-10.84,2.1,;-9.3,2.1,;-8.53,.77,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,)|
CC1(CNc2cc(c(F)cc2F)-c2ccnc3[nH]c(cc23)C2CCNCC2)CCOCC1
Fc1cc(F)c(cc1NCc1ccccc1)-c1ccnc2[nH]c(cc12)C1CCNCC1
Fc1cc(F)c(cc1NCC1CCOCC1)-c1ccnc2[nH]c(cc12)C1CCNCC1
Fc1cccc(CNc2cc(c(F)cc2F)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)c1cccs1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)c1cccc2nonc12 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)c1c(C)noc1C |t:21|
Fc1ccc(NCc2cccc(Cl)c2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Fc1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Fc1ccc(NCc2ccc(cc2)C#N)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
CS(=O)(=O)c1ccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
Fc1ccc(NCc2ccncc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CCN(CC1)S(C)(=O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccccc2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(C)CC1 |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(N)ccc1F |c:7|
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccnc2)ccc1F
Fc1ccc(NCc2cccnc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Fc1cc(F)cc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Fc1ccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c(F)c1
Fc1ccc(F)c(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Fc1cccc(F)c1CNc1ccc(F)c(c1)-c1ccnc2[nH]c(cc12)C1CCNCC1
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)cc(F)c2)ccc1F
Fc1ccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
NS(=O)(=O)c1ccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
Oc1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Fc1ccc(NCc2ccccn2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
CS(=O)(=O)c1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
CS(=O)(=O)Nc1ccc(F)c(c1)-c1ccnc2[nH]c(cc12)C1CCN(CC1)S(C)(=O)=O
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccccc2)ccc1F
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(Cl)c2)ccc1F
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(F)c2)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(C)(C)NC(C)(C)C1 |t:21|
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccncc2)ccc1F
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)C#N)ccc1F
Fc1cccc(COc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2=CCNCC2)c1 |t:27|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2nc3ccccc3[nH]2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC2CCCO2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC2=CCCOC2)CC1 |t:26|
COc1ccc(CN2CCC(CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)cc1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCN2CCOCC2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccc(cc2)C#N)CC1
CNC(=O)NCCN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:10|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(C)C)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccccn2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccc(cc2)N(C)C)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2cnn(c2)C(C)(C)C)CC1
COCCN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccncc2)CC1
CCN(CC)CCOc1ccc(CN2CCC(CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)cc1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2sc(N)nc2Cl)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccc3OCOc3c2)CC1
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(O)c2)ccc1F
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(c2)S(C)(=O)=O)ccc1F
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)C(N)=O)ccc1F
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(O)cc2)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CCN2CCOCC2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)Cc1cccc(Cl)c1 |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCC2CCOCC2)c(F)cc1F |c:7|
Fc1cc(F)c(cc1NCC1CCOCC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:29|
Fc1cccc(CNc2cc(c(F)cc2F)-c2ccnc3[nH]c(cc23)C2=CCNCC2)c1 |t:28|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)cc(F)c2)ccc1F |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NC(C)C |t:21|
CCN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:5|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccccc2)CC1 |t:21|
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccnc2)ccc1F
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)cc(F)c2)ccc1F
CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(F)c(F)c2)ccc1F
CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(F)c(F)c2)ccc1F
OCC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)cc(F)c2)ccc1F
OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccnc2)ccc1F
OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccncc2)ccc1F
OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)C#N)ccc1F
OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(c2)C#N)ccc1F
Fc1ccc(NCc2ccncc2)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)S(=O)(=O)C1CC1
Fc1ccc(NCc2ccc(cc2)C#N)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)S(=O)(=O)C1CC1
Fc1cc(F)cc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCN(CC2)S(=O)(=O)C2CC2)c1
CS(=O)(=O)c1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCN(CC2)S(=O)(=O)C2CC2)c1
NS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(F)c2)ccc1F
OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(F)c2)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(C1)S(C)(=O)=O |t:21|
OCC(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(OCc2cccc(F)c2)ccc1F |c:8|
OCC(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(F)c2)c(F)cc1F |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2nc3ccccc3[nH]2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC2=CCCOC2)CC1 |t:21,26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccc(cc2)N(C)C)CC1 |t:21|
CCN(C)CCOc1ccc(CN2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)cc1 |c:15|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccncc2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccc(cc2)C#N)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2sc(N)nc2Cl)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC2CCCO2)CC1 |t:21|
Clc1ccc(NCc2cccnc2)cc1-c1ccnc2[nH]c(cc12)C1=CCNC1 |t:28|
Fc1cccc(CNc2ccc(Cl)c(c2)-c2ccnc3[nH]c(cc23)C2=CCNC2)c1 |t:27|
Clc1ccc(NCC2CCCOC2)cc1-c1ccnc2[nH]c(cc12)C1=CCNC1 |t:28|
Clc1ccc(NCC2CCNCC2)cc1-c1ccnc2[nH]c(cc12)C1=CCNC1 |t:28|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCNCC1 |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NC1CCCCC1 |t:21|
COc1ccc(CNC(=O)N2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)cc1 |c:13|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:21|
NS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccncc2)ccc1F
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC1)S(C)(=O)=O |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-7.33,4.38,;-8.87,2.84,;-7.33,1.3,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(O)CO)CC1 |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.41,5.51,;-5.02,4.18,;-3.48,4.18,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC1)C(C)=O |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,4.18,;-8.1,1.51,)|
OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)cc(F)c2)ccc1F
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCOCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CCN1CCOCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1ccccn1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1cccnc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1ccncc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1cnccn1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1ccncn1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1ccnc(C)n1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1cc(ncn1)C(F)(F)F |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CCN1CCCCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1cn[nH]c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1cscn1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1c(C)noc1C |t:21|
COc1ccc(Cl)c(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(F)c(F)c1F |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(OC(F)(F)F)c1 |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CCNC(=O)CN(C)C)CC1 |t:21|
COc1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(F)c(F)c1 |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccccc1OC(F)(F)F |c:7|
CC(C)Oc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC1CC1 |c:7|
CCOc1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
NS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)cc(F)c2)ccc1F
Cc1cc(ccc1Cl)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(F)c(Cl)c1 |c:7|
CN(C)C(=O)c1cccc(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
Cc1cc(ccc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
CC(C)Oc1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CCCCOc1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:24|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1)C(=O)N1CCOCC1 |c:7|
Fc1cc(F)cc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2=CCNCC2)c1 |t:28|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCNC1 |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)cc(F)c1 |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(Cl)cc1Cl |c:7|
CCc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
Cc1ccc(c(C)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(Cl)ccc1Cl |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(Cl)c(Cl)c1 |c:7|
CS(=O)(=O)Nc1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
COc1ccc(Cl)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
COc1ccc(cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O)C(C)C |t:20|
COc1ccc(C)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
COc1ccc(cc1C)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccccc1C#N |c:7|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1)C#N |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccccc1C(F)(F)F |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1 |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccccc1Cl |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(ccc1F)C(F)(F)F |c:7|
COc1ccc(cc1Cl)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
Cc1ccc(F)c(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
Cc1cc(Cl)cc(c1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
CCCOc1ccc(Cl)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)cc(F)c2)ccc1F |c:7|
OCC(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cc(F)cc(F)c2)ccc1F |c:8|
CCOC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1O |c:8|
CCOc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1Cl |c:7|
Cc1ccc(cc1Cl)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
Cc1ccc(cc1N)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(c(F)c1)-c1ccccc1 |c:7|
CC(C)Oc1cccc(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
CCCOc1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CC(C)Oc1ccc(F)c(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CCCCOc1ccc(cc1Cl)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:24|
CC(C)COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccccc1 |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCN(CC(O)=O)CC1 |t:21|
COc1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N)c1 |c:7|
CS(=O)(=O)Nc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CC(C)NC(=O)c1cccc(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:24|
COc1ccc(F)cc1-c1ccnc2[nH]c(N3CCN(CC(=O)N(C)C)CC3)c(C#N)c12
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(CC#N)cc1 |c:7|
CNC(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
CC(=O)Nc1cccc(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
CC(=O)Nc1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
CNS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccccn2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(O)CO)C1 |t:21|
CNC(=O)N1CCC=C(C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(C1)S(C)(=O)=O |t:21|
Cc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:20|
Fc1cc(F)cc(COc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2=CCNCC2)c1 |t:28|
CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(OCc2cc(F)cc(F)c2)ccc1F |c:4|
OCC(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(OCc2cc(F)cc(F)c2)ccc1F |c:8|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(OCc2cc(F)cc(F)c2)ccc1F |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1)C(N)=O |c:7|
CCOc1ccc(c(C)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(Cl)c(c1)C(F)(F)F |c:7|
CCCCNC(=O)c1cccc(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:25|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1 |c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 |c:7|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(OC(F)(F)F)cc1 |c:7|
CC(C)Oc1ccc(cc1Cl)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(Cl)cc(Cl)c1 |c:7|
CCCOc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)N1CCOCC1 |t:21|
COc1ccc(CNc2ccccc2F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:30|
COc1ccc(CNC2CCOCC2)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:29|
COc1ccc(CN2CCOCC2)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:28|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCc1ccccc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCc1cccc(F)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCc1cc(F)cc(F)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCc1cc(F)ccc1F |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCc1cccc(Cl)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCc1ccncc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCc1cc(C)n[nH]1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCC1CCOCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NC1CCC(O)CC1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,2.1,;-9.3,-.56,;-10.84,-.56,;-11.61,-1.9,;-13.15,-1.9,;-13.92,-.56,;-15.46,-.56,;-13.15,.77,;-11.61,.77,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)N1CC(F)(F)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCOCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C1CCCOC1 |t:21|
OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(OCc2cc(F)cc(F)c2)ccc1F |c:7|
CC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(OCc2cc(F)cc(F)c2)ccc1F |c:6|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(C1)C(=O)CO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(C1)C(C)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(Cc2ccc(NC(C)=O)cc2)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC2CCCO2)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(C)(C)O)CC1 |t:21|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:20|
CCOC(=O)NS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
CNS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)S(=O)(=O)N(C)C
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(F)(F)F |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCC1CCOCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCS(N)(=O)=O)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1ccccc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1ccncc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCC1CNCCO1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)S(C)(=N)=O
CCNS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
Fc1ccc(Oc2cccc(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
Fc1cccc(c1F)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:20|
OCC(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:8|
CC(=O)Nc1ccc(CN2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cccc(F)c2F)cc1 |c:12|
OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2 |t:21,TLB:15:18:22.21:25|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cc(F)cc(F)c1 |t:21|
CNC(=O)N1C2CCC1C=C(C2)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:10,THB:12:10:7.6:4|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(O)CO |t:21,TLB:15:18:21.22:25|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2C(=O)CO |t:21,TLB:15:18:21.22:25|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2C(=O)N(C)C |t:21,TLB:15:18:21.22:25|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)S(=O)(=O)NC[C@H](O)CO
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)c(Cl)c12
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)c(Br)c12
CCOC(=O)NS(=O)(=O)N1CCC(CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1Br
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NS(C)(=O)=O |t:21|
CNC(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(C1)C(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cccnc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(N)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCC(O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNCC1CCCO1 |t:21|
COC(=O)N1CCN(CCNC(=O)N2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)CC1 |c:16|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCc2ccccc2C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCC(C)(C)O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(C)(C)O)C1 |t:21|
CNC(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:22|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(=O)NC |c:7|
CNC(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(Br)c12)C1=CCNCC1 |t:22|
COc1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCC(O)=O |t:21|
CNC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCC1(O)COC1 |t:21|
COC(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:22|
COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1=CCNCC1)-n1cccn1 |t:20|
COc1cccc(OC)c1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:22,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,)|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:20|
COc1ccc(Cl)c(c1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O)C#N |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-8.53,-.77,;-10.07,.77,;-8.53,2.31,;4,-.77,;5.33,-1.54,)|
CC(C)(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:8|
Fc1cccc(c1F)-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccccn2)CC1 |t:20|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C(C)(C)O |t:21|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCNCC1)C#N |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;4,-.77,;5.33,-1.54,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2n[nH]c(=O)[nH]2)CC1 |t:21|
CNC(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1Br |c:12|
COc1ccc(F)cc1-c1c(C)cnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-8.53,-.77,;-10.07,.77,;-8.53,2.31,)|
COc1ccc(F)cc1-c1c(C)cnc2[nH]c(cc12)C1=CCNCC1 |t:22,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=NS(=O)(=O)c1ccc(C)cc1 |t:21|
CCOc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:22|
COc1ccc(OC)c(c1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:22|
COc1ccc(F)cc1-c1ccnc2n(C[C@H](O)CO)c(cc12)C1=CCC(CC1)C(O)=O |t:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(O)CC1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-11.61,.77,;-13.15,.77,;-10.84,2.1,;-9.3,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCC(CC1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCC(=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCCC(F)(F)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCCC(O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CC[C@H](O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN(C)CCO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCN(CCO)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCNC(=O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCC[C@H](O)C1 |t:21|
COc1ccc(cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1)C#N |t:20|
Fc1ccc(Cl)c(c1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:20|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
FC(F)Oc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CC(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CS(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(cc12)C1=CCNCC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CC1CCCO1 |t:21|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(c(C)cnc2[nH]1)-c1cc(F)ccc1OC |c:12,(-14.69,3.44,;-13.15,3.44,;-12.38,2.1,;-10.84,2.1,;-10.07,3.44,;-10.07,.77,;-8.53,.77,;-8.53,2.31,;-8.53,-.77,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;4,-.77,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(Cl)c12)C1=CCNCC1 |t:22|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1Cl |c:12|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(Cl)c12)C1=CCN(CC1)S(C)(=O)=O |t:22|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:25.28,28.32,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,1.51,;-8.1,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1ccccn1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cnccn1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cncnc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCC1CCCO1 |t:21|
COC(=O)C(C)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:9|
COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-7.33,4.38,;-8.87,2.84,;-7.33,1.3,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@@H]1OC(C)(C)OC1(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CN(CCC1C(O)=O)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@H]1OC(C)(C)OC1(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(C)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(=CC1)C(O)=O |c:31,t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CC2CC(CC(O)=O)CC2C1 |t:21,(-17.01,4.62,;-18.35,3.85,;-19.68,4.62,;-19.68,6.16,;-21.01,6.93,;-22.35,6.16,;-23.68,6.93,;-22.35,4.62,;-21.01,3.85,;-21.01,2.31,;-22.35,1.54,;-22.35,,;-21.01,-.77,;-19.68,,;-18.21,-.48,;-17.31,.77,;-18.21,2.02,;-19.68,1.54,;-15.77,.77,;-15,-.56,;-13.46,-.56,;-12.69,.77,;-13.46,2.1,;-15,2.1,;-11.15,.77,;-10.24,2.02,;-8.78,1.54,;-7.32,2.02,;-6.41,.77,;-4.87,.77,;-4.1,-.56,;-4.87,-1.9,;-2.56,-.56,;-7.32,-.48,;-8.78,,;-10.24,-.48,)|
COC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11|
COC(=O)NS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1Cl |c:11|
CNC(=O)c1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@@H](O)C(C)(C)O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@H](O)C(C)(C)O |t:21|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO)C#N |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-9.3,2.1,;-10.84,2.1,;4,-.77,;5.33,-1.54,)|
CNC(=O)N1CCC(=CC1)c1cc2c(c(cnc2[nH]1)C#N)-c1cc(F)ccc1OC |c:7,(-9.64,4.18,;-8.1,4.18,;-7.33,2.84,;-8.1,1.51,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;5.2,1.3,;6.53,.53,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCNCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCC(N)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNC(CO)CO |t:21|
CCOc1c(N2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)c(=O)c1=O |c:8|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCNCC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,)|
CNC(=O)N1CCC(=CC1)c1cc2c(c(F)cnc2[nH]1)-c1cc(F)ccc1OC |c:7,(-9.64,4.18,;-8.1,4.18,;-7.33,2.84,;-8.1,1.51,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-7.33,4.38,;-8.87,2.84,;-7.33,1.3,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.41,5.51,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CS(C)(=O)=O |t:21|
CCOC(=O)CC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)Nc1cnn(CCS(C)(=O)=O)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CNS(C)(=O)=O |t:21|
OC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:6|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCC(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC(O)=O |t:21|
COc1cc(Cl)ccc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
COc1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
COc1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:22|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(OC)cc1OC |c:7|
COc1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:22|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:20|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccccc1OC |c:7|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:20|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(F)cc1OC |c:7|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:21|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:22|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(C)=O |t:21|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C)c12)C1=CCNCC1 |t:22|
Fc1cccc(c1F)-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2 |t:20,TLB:14:17:21.20:24|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1)C#N |t:21,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,1.51,;-3.48,1.51,;5.2,1.3,;6.53,.53,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNCCc1c[nH]cn1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNCC(C)O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNCC1(C)COC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNC1COC1 |t:21|
CNC(=O)c1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:24|
CNC(=O)c1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:24|
CNC(=O)c1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:24|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1c(N)c(=O)c1=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CCC1)S(C)(=O)=O |t:21|
CNC(=O)N1CCCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCS(=O)(=O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)NS(C)(=O)=O)CC1 |t:21|
COc1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:22|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:20|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:21|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(=O)OC(C)(C)C)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(Cl)c12)C1=CCN(CC1)S(=O)(=O)NC(C)=O |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)C(C)(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(=O)N(C)C)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(Cl)c12)C1=CCN(CC1)S(=O)(=O)NC(=O)C(C)(C)C |t:22|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1C |c:12|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(O)=O)C1 |t:21|
CCOC(=O)C1(O)CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:18|
CNC(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1C |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C)c12)C1=CCN(CC1)S(C)(=O)=O |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CN(C)C |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,1.51,;-3.48,1.51,)|
CCC(NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC)C(O)=O |c:7|
CS(=O)(=O)N1CCC=C(C1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:7|
CN(C)C(=O)CN1CCC=C(C1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:9|
OCC(=O)N1CCC=C(C1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CC1)S(C)(=O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCS(=O)(=O)N(C)C)CC1
COc1ccc(c(OC)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:22|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:20|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CN1CCC(O)C1 |t:21|
COC(=O)Cn1cc(NC(=O)N2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)cn1 |c:14|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)Nc1cnn(CC(O)=O)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NS(=O)(=O)C1CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NS(=O)(=O)c1ccccc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)c1n[nH]c(=O)o1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(O)=O)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(O)=O)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(NC1)C(O)=O |t:21|
Fc1cccc(c1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N |t:20|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C1(O)CC1 |t:21|
OCC(O)CN1CCC=C(C1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:8|
CC(C)(O)C(=O)N1CCC=C(C1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:9|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(O)=O |t:21,TLB:15:18:21.22:25|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCC(O)(CC1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(C1)C(=O)C(C)(C)O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NS(=O)(=O)C(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CS(N)(=O)=O |t:21|
CNS(=O)(=O)CC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)OC(C)(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)Nc1cnn(C[C@@H](C)O)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2nn[nH]n2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CC2(CNC2)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](CO)NC1 |t:21|
OC(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(N)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(N)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O |t:21|
CCOc1c(NCCOc2ccc(F)cc2-c2ccnc3[nH]c(cc23)C2=CCN(CC2)c2c(OCC)c(=O)c2=O)c(=O)c1=O |t:28|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN[C@H]1CCCC[C@@H]1O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNCCN(C)C |t:21|
COCCN(C)CCNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:14|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCN1CCN(CC1)C(=O)c1ccc(C)cc1 |t:21|
CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2O)CC1 |c:16|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNCCO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNCc1cccc(c1)C(F)(F)F |t:21|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:12|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCC(F)(F)F |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCSCC1 |t:21|
CNC(=O)c1ccc(c(F)c1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N[C@@H](C)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCS(=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NS(=O)(=O)C1(C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NS(=O)(=O)CC(C)C |t:21|
Fc1cccc(c1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NS(=O)(=O)c1ccccc1 |t:20|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCNCC1)C(N)=O |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;4,-.77,;5.33,,;4,-2.31,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1)C#N |t:21,(6.53,-5.15,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;1.2,-6.69,;-.14,-7.46,;1.2,-5.15,;2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-1.3,;-7.33,-1.3,;-8.1,-2.64,;-7.33,-3.97,;-9.64,-2.64,;-10.41,-3.97,;-5.02,.03,;-3.48,.03,;5.2,-2.84,;6.53,-3.61,)|
COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.41,5.51,;-10.41,2.84,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.41,5.51,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@@H]1C[C@H](O)CN1 |t:21|
CCNCCNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNC1CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NCCNCc1ccccn1 |t:21|
Nc1c(NCCOc2ccc(F)cc2-c2ccnc3[nH]c(cc23)C2=CCN(CC2)c2c(N)c(=O)c2=O)c(=O)c1=O |t:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C1CCN(CC1)C(=O)OC(C)(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(N(C1)S(C)(=O)=O)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C1CCNCC1 |t:21|
CN(C)C(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(C)C(=O)N(C)C |t:21|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2S(C)(=O)=O |t:21,TLB:15:18:21.22:25|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2S(C)(=O)=O |t:22,TLB:16:19:22.23:26|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2S(C)(=O)=O |t:20,TLB:14:17:20.21:24|
COc1c(F)cccc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@@H]1C[C@@H](O)CN1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@H]1C[C@H](O)CN1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](C)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CCN |t:21|
CCCNC(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:24|
CNC(=O)c1ccc(c(F)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(cc1F)C(=O)NC |c:12|
CNC(=O)c1ccc(c(F)c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CNCC2C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(N(C1)C(=O)OC(C)(C)C)C(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(N(C1)C(=O)OC(C)(C)C)C(=O)NS(C)(=O)=O |t:21|
CNC(=O)c1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:23|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(C(=O)NC)c(F)c1 |c:7|
CNC(=O)c1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:23|
CNC(=O)c1ccc(cc1F)-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:23|
COc1ccc(F)cc1-c1c(OC)cnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-8.53,-.77,;-10.07,.77,;-8.53,2.31,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCC(C1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNC(CO)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2COCC(C1)N2 |t:21,TLB:15:18:21.22.23:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2COCC(C1)N2S(C)(=O)=O |t:21,TLB:15:18:21.22.23:26|
CCOC(=O)NS(=O)(=O)N1C2COCC1C=C(C2)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:16,THB:18:16:13.12.11:9|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2COCC(C1)N2CC(=O)N(C)C |t:21,TLB:15:18:21.22.23:26|
CC[C@H](C)[C@H](NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC)C(O)=O |c:9|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(C(=O)NC)c(F)c1 |c:12|
COc1c(F)cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1OC |c:7|
COC(=O)C1NCC(=C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC(=O)N1CC(O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](CO)N(C1)S(C)(=O)=O |t:21|
CCOC(=O)NS(=O)(=O)N1CC(=C[C@H]1CO)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CC(=O)N1CC(O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](CO)NC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC2(CC1)NC(=O)NC2=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(N)(CC1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2(CNC2)C1
COc1ccc(F)cc1-c1c(OC)cnc2[nH]c(cc12)C1=CCNCC1 |t:23,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,)|
CCOC(=O)c1c([nH]c2nccc(-c3cc(F)ccc3OC)c12)C1=CCNCC1 |t:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C1CCN(CC1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CCNS(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(C(CO)C1)S(C)(=O)=O |t:21|
CCOC(=O)NS(=O)(=O)N1CC=C(CC1CO)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)C(CO)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)C)CC2C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(NC1)C(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCN(CC(=O)N(C)C)CC1 |t:21|
OC(=O)CNC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C1CN(C1)C(C)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C1CN(C1)S(C)(=O)=O |t:21|
CCOC(=O)c1c([nH]c2nccc(-c3cc(F)ccc3OC)c12)C1=CCN(CC1)S(C)(=O)=O |t:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCNCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CN1C(=O)CNC1=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CC#N |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OC(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2(C1)CN(C2)S(C)(=O)=O
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(c(cnc2[nH]1)C#N)-c1cc(F)ccc1OC |c:12,(-13.49,5.51,;-11.95,5.51,;-11.18,4.18,;-9.64,4.18,;-8.87,5.51,;-8.87,2.84,;-7.33,2.84,;-7.33,1.3,;-7.33,4.38,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;5.2,1.3,;6.53,.53,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
CS(=O)(=O)NCCOc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:27|
NCCOc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccc(NS(C)(=O)=O)cc2)CC1 |t:21|
CNc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)OC(C)(C)C |t:21|
CNc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(N)(CC1)C(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC(=O)N1CCC[C@H]1C(N)=O |t:21|
CCONC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:9|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C(N)=O)c12)C1=CCNCC1 |t:24|
CCOC(=O)NS(=O)(=O)N1C2CCC1C=C(C2)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:15,THB:17:15:12.11:9|
COc1ccc(CNS(=O)(=O)C2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)cc1 |c:14|
COC(=O)c1cccnc1N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:14|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1
COC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:20|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1ncccc1C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1c(NC(C)=O)c(=O)c1=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1c(NS(C)(=O)=O)c(=O)c1=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1c(O)c(=O)c1=O |t:21|
COC(=O)[C@@H]1CC(CN1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:13|
COC(=O)[C@@H]1CC(CN1S(C)(=O)=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:17|
CCOC(=O)C1CN(CC1N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC)S(C)(=O)=O |c:14|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC1)C(=O)CO |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC(O)CO)CC1 |t:23|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1C#N |c:12|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C(N)=O)c12)C1=CCN(CC(O)CO)CC1 |t:24|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1C(N)=O |c:12|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)S(N)(=O)=O |t:21|
CNC(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1C(N)=O |c:7|
CCOC(=O)NS(=O)(=O)N1CC2(CC(C2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2(C1)CN(CC(O)CO)C2
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2(C1)CN(CC(=O)N(C)C)C2
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CC(=O)NC1CC(O)C1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-8.53,2.31,;-8.53,-.77,;-10.07,.77,;-10.84,2.1,;-10.07,3.44,;-12.38,2.1,;-13.15,3.44,;-14.64,3.84,;-14.24,5.32,;-15.01,6.66,;-12.75,4.92,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1C[C@H](N(C1)S(C)(=O)=O)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CN(CC1C(O)=O)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)N1CCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)N1CC(C1)C#N |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)N1CCC(F)(F)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)Nc1cnn(CCS(C)(=O)=O)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)Nc1cnn(C)c1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NCc1nnn[nH]1 |t:21|
CCC[C@H](NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC)C(O)=O |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1nnn[nH]1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)C1CCN(CC(=O)N(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@@H]2CO)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC1)S(C)(=O)=O |t:21|
CNC(=O)N1CCC=C(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:7|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCC(=CC1)B(O)O |c:33,t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1c(SC)c(=O)c1=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NS(C)(=O)=O |t:21|
CNC(=O)NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1O |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NC(=O)CO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NC(=O)CC#N |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C(CNCC1)C#N |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1(CC#N)COC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)Nc1cnn(C[C@@H](C)O)c1 |t:21|
COC1CN(C1)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(C2)C#N)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(F)(F)C2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(C)(O)C2)CC1
CC[C@@H]1CN([C@@H]1CO)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COCC1(C)CN(C1)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COCC1(F)CCN(C1)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(F)C2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)NC2CC(F)C2)CC1 |(6.53,-5.15,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;1.2,-6.69,;-.14,-7.46,;1.2,-5.15,;2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;-2.71,-1.3,;-3.48,.03,;-5.02,.03,;-5.79,-1.3,;-7.33,-1.3,;-8.1,-2.64,;-7.33,-3.97,;-9.64,-2.64,;-10.41,-3.97,;-11.9,-4.37,;-11.5,-5.86,;-12.27,-7.19,;-10.01,-5.46,;-5.02,-2.64,;-3.48,-2.64,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC(O)C2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1(CC(O)=O)COC1 |t:21|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1N |c:7|
COC(=O)[C@@H](NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC)C(C)(C)C |c:9|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NC#N |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1(C)C |t:21|
CNCCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:14|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCCOC(C)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCCN1CCCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OC1CNC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCCO |t:21|
CS(=O)(=O)NCCOc1cc(F)cc(c1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:27|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(=O)NCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)NC2CC(O)C2)CC1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,3.44,;-13.1,3.84,;-12.7,5.32,;-13.47,6.66,;-11.21,4.92,;-6.22,-.56,;-4.68,-.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC(=O)N1CCCC1CO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NC(C1CC1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1(C)C)S(C)(=O)=O |t:21|
CNC(=O)N1CC=C(c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)C(C)(C)C1 |t:6|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(N)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](C)NCC1 |t:21|
CNC(=O)CNc1c(N2CCC(=CC2)c2cc3c(ccnc3[nH]2)-c2cc(F)ccc2OC)c(=O)c1=O |c:11|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1c(NCC(=O)OC(C)(C)C)c(=O)c1=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1c(NCC(N)=O)c(=O)c1=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1c(NCC(=O)N(C)C)c(=O)c1=O |t:21|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)OC(C)(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C#N |t:21|
COc1ccc(F)cc1-c1c(OC)cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:23,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,-1.9,;-11.61,.77,;-6.22,-.56,;-4.68,-.56,)|
CCOC(=O)NS(=O)(=O)N1CC2CC(=CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:13|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(O)CO)CC2C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(O)=O)CC2C1 |t:21|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(N)=O)CC1 |t:21|
CNC(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(F)cc1OC |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCC(CC1)N[C@H](C(C)C)C(O)=O |wU:25.28,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-11.61,-1.9,;-11.61,.77,;-8.53,-1.9,;-6.99,-1.9,;-9.3,-3.23,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(N)=O)CC1 |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,4.18,;-3.48,4.18,)|
COCCOCCN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:10|
CNS(=O)(=O)OC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:9|
COC1CN(C1)C(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:13|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(C2)C#N)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(F)(F)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(CO)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(C)(O)C2)CC1 |t:21|
CC[C@@H]1CN([C@@H]1CO)C(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:15|
COCC1(C)CN(C1)C(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:15|
COCC1(F)CCN(C1)C(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:16|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)NC2CCC2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(F)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)NCCO)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)NC2CC(F)C2)CC1 |t:21,(6.53,-5.15,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;1.2,-6.69,;-.14,-7.46,;1.2,-5.15,;2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-1.3,;-7.33,-1.3,;-8.1,-2.64,;-7.33,-3.97,;-9.64,-2.64,;-10.41,-3.97,;-11.9,-4.37,;-11.5,-5.86,;-12.27,-7.19,;-10.01,-5.46,;-5.02,.03,;-3.48,.03,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC(O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2C(O)=O)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2C(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)NS(C)(=O)=O)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2C[C@H](O)[C@@H](O)C2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2C[C@H](O)[C@@H](O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](CO)C(O)=O |t:21|
CNC(=O)N1CC2CC(=CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCNCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(C)C)C(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1C[C@H](O)C[C@H]1C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](C(C)C)C(O)=O |t:21|
CNC(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccccc1OC
COc1ccccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(O)=O)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](C)N(CC(=O)N(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](C)NCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN([C@@H](C)C1)S(C)(=O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)OCC(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H]([C@@H](C)O)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)N1CCS(=O)(=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)N1CCN(C)CC1 |t:21|
CCOC(=O)C1CCN(CC1)S(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:18|
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:17|
CCOC(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:9|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)OC(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC(O)=O)CC1 |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |t:23|
CCOc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCC(C)(C)O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCC1COC(C)(C)O1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCC1CCOCC1 |t:21|
CCOc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:23|
CCOc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NC |t:23|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2CO)CC1 |wD:30.34,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.55,5.42,;-12.01,4.95,;-12.01,3.41,;-10.55,2.93,;-10.07,1.47,;-11.1,.32,;-5.02,4.18,;-3.48,4.18,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN[C@H](CO)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](CO)NCC1 |t:21|
CNC(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)c(F)cc1OC
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(N)=O)CCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CCC1 |t:21|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)CC1 |c:34,t:22,TLB:34:33:31.32:29,THB:26:27:31.32:29|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)N1CCC[C@H]1CO |t:21|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(N)=O)CC1
CNC(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(F)cc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CNCC2C1
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC1)C(=O)CO |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,1.51,;-8.1,4.18,;-9.64,4.18,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCC1CCNC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OC1CCNCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCC1CCNCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OC1CCNC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCC(O)CO |t:21|
COC(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccccc1OC
COc1ccccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2CO)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(C)C)C(=O)N1CC(O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCC[C@H]1C(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](C(O)=O)c1ccccc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C12CC1CN(CC2)S(C)(=O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)c1nnn[nH]1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)OC(=O)NC(C)(C)C |t:21|
COc1ccc(F)cc1-c1c(OC)cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |wD:31.35,t:23,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.75,.68,;-13.21,.21,;-13.21,-1.33,;-11.75,-1.81,;-11.27,-3.27,;-9.76,-3.59,;-6.22,-.56,;-4.68,-.56,)|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2CO)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)[C@@H](C)C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(CC(F)(F)F)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CS(=O)(=O)N(C)C |t:21|
CNS(=O)(=O)CC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CS(=O)(=O)N(C)C
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C(C)S(N)(=O)=O |t:21|
CCOC(=O)C(N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC)c1ccccc1 |c:9|
CCOC(=O)c1cnc(s1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:14|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCN(C1)C(=O)OC(C)(C)C |t:21|
CCOC(=O)NS(=O)(=O)N1CCC(=C[C@@H]1C)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:12|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)OCCO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)C(O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(C(O)=O)c1ccccc1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCNC1 |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC1)C(=O)CC#N |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,1.51,;-8.1,4.18,;-9.64,4.18,;-11.18,4.18,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCNCC1 |t:24,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-1.22,-1.33,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,)|
NC(=O)c1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:22|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(O)=O)CC1 |t:24,(8.92,-5.15,;7.59,-4.38,;6.26,-5.15,;6.26,-6.69,;4.92,-7.46,;3.59,-6.69,;2.26,-7.46,;3.59,-5.15,;4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;7.59,-2.84,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;1.17,-5.48,;3.59,-2.07,;-.32,-1.3,;-1.09,.03,;-2.63,.03,;-3.4,-1.3,;-4.94,-1.3,;-5.71,.03,;-4.94,1.36,;-7.25,.03,;-2.63,-2.64,;-1.09,-2.64,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCCN |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCC1CNC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)NC(=O)OCCN(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNC(C)(C)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(O)=O)CC3)c(C#N)c12
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)c(C#N)c12
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)C)CC3)c(C#N)c12
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2n[nH]c(=O)[nH]2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCN(C1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)NS(=O)(=O)C(C)C)CC1
CCOC(=O)c1cnc(s1)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COC(=O)CC1CCC(CC1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:15,(-16.23,-1.9,;-15.46,-.56,;-13.92,-.56,;-13.15,-1.9,;-13.15,.77,;-11.61,.77,;-10.84,-.56,;-9.3,-.56,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCN(C)C1=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CNC(=O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)c1ncc(s1)C(O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](C1CCCCC1)C(O)=O |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(C)C)C(O)=O |wD:26.29,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,5.51,;-10.41,2.84,;-7.33,5.51,;-5.79,5.51,;-8.1,6.84,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(O)=O)C(C)(C)C |wU:26.29,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-5.79,5.51,;-8.1,6.84,;-9.64,4.18,;-11.18,4.18,;-9.64,2.64,;-9.64,5.72,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |wD:32.36,t:24,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-1.22,-1.33,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.55,5.42,;-12.01,4.95,;-12.01,3.41,;-10.55,2.93,;-10.07,1.47,;-11.1,.32,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC3)S(C)(=O)=O)c(C#N)c12
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(O)=O)CC1 |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,4.18,;-3.48,4.18,)|
COC(=O)[C@@H]1CCCN1C(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:15|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC1)C(=O)NC#N |t:24,(6.53,-5.15,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;1.2,-6.69,;-.14,-7.46,;1.2,-5.15,;2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;5.2,-2.84,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;-.74,-4.01,;-1.22,-5.48,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-1.3,;-5.02,.03,;-3.48,.03,;-7.33,-1.3,;-8.1,.03,;-8.1,-2.64,;-9.64,-2.64,;-11.18,-2.64,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(CC(O)=O)CC1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-11.61,.77,;-13.15,.77,;-13.92,2.1,;-13.15,3.44,;-15.46,2.1,;-10.84,2.1,;-9.3,2.1,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C1CCN(C)C1=O
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NC#N |t:22,(6.53,-5.15,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;1.2,-6.69,;-.14,-7.46,;1.2,-5.15,;2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;5.2,-2.84,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-1.3,;-5.02,.03,;-3.48,.03,;-7.33,-1.3,;-8.1,.03,;-8.1,-2.64,;-9.64,-2.64,;-11.18,-2.64,)|
COCCOCCS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:13|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1 |wD:32.36,t:24,(8.92,-5.15,;7.59,-4.38,;6.26,-5.15,;6.26,-6.69,;4.92,-7.46,;3.59,-6.69,;2.26,-7.46,;3.59,-5.15,;4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;7.59,-2.84,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;1.17,-5.48,;3.59,-2.07,;-.32,-1.3,;-1.09,.03,;-2.63,.03,;-3.4,-1.3,;-4.94,-1.3,;-5.71,-2.64,;-4.94,-3.97,;-7.25,-2.64,;-8.15,-1.39,;-9.62,-1.87,;-9.62,-3.41,;-8.15,-3.88,;-7.68,-5.35,;-8.71,-6.49,;-6.17,-5.67,;-2.63,-2.64,;-1.09,-2.64,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)NC#N)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](CO)NCC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN[C@@H](CO)C1 |t:21|
CCOC(=O)NS(=O)(=O)N1CCC(CC1)c1cc2c(c(F)cnc2[nH]1)-c1cc(F)ccc1OC |(-13.49,5.51,;-11.95,5.51,;-11.18,4.18,;-9.64,4.18,;-8.87,5.51,;-8.87,2.84,;-7.33,2.84,;-7.33,1.3,;-7.33,4.38,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(=O)N(C)CCO)CC1 |(-17.53,5.71,;-15.99,5.71,;-15.22,7.05,;-15.99,8.38,;-15.22,9.72,;-13.68,9.72,;-12.91,11.05,;-12.91,8.38,;-13.68,7.05,;-12.91,5.71,;-13.68,4.38,;-15.22,4.38,;-12.91,3.05,;-11.37,3.05,;-10.6,4.38,;-9.09,4.7,;-8.93,6.23,;-10.34,6.86,;-11.37,5.71,;-7.6,7,;-7.6,8.54,;-6.27,9.31,;-4.93,8.54,;-3.6,9.31,;-2.26,8.54,;-2.26,7,;-.93,9.31,;-.93,10.85,;.4,8.54,;1.74,9.31,;3.07,8.54,;-4.93,7,;-6.27,6.23,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N(C([O-])=O)S(=O)(=O)N1CC(O)C1 |t:21|
COCCS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:10|
COCCOCCS(=O)(=O)NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:14|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CC(C1)C(=O)OC(C)(C)C |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.62,-.32,;-10.71,.77,;-9.62,1.86,;-12.25,.77,;-13.02,-.56,;-13.02,2.1,;-14.56,2.1,;-16.1,2.1,;-14.56,3.64,;-14.56,.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CC(C1)C(O)=O |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.62,-.32,;-10.71,.77,;-9.62,1.86,;-12.25,.77,;-13.02,2.1,;-13.02,-.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC2C1)S(C)(=O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](CO)N(CC(O)=O)C1 |t:21|
CNC(=O)[C@H](NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC)C(C)C |c:9|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](Cc1ccccc1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](Cc1ccc(O)cc1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](C(C)C)C(N)=O |t:21|
CNC(=O)[C@@H](NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC)C(C)(C)C |c:9|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)[C@@](N)(C(O)=O)c1ccccc1 |t:21|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N)C#N |t:21,(6.53,-5.15,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;1.2,-6.69,;-.14,-7.46,;1.2,-5.15,;2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-1.3,;-5.02,.03,;-3.48,.03,;-7.33,-1.3,;-8.1,.03,;-8.1,-2.64,;-9.64,-2.64,;-11.18,-2.64,;5.2,-2.84,;6.53,-3.61,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(c([N+]([O-])=O)c12)C1=CCN(CC1)S(C)(=O)=O |t:24|
COCCOCCS(=O)(=O)N1CC2CC(=CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:14|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H]2COC(=O)CN2CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2COC(=O)N2CC1 |t:21|
COCCN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C(O)=O)c1ccccc1
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(N)=O)CC1)C#N |t:21,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,1.51,;-3.48,1.51,;5.2,1.3,;6.53,.53,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(NC1)C(=O)NC1CC(F)C1 |t:21,(6.53,-5.15,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;1.2,-6.69,;-.14,-7.46,;1.2,-5.15,;2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;-2.71,-1.3,;-3.62,-2.55,;-5.08,-2.07,;-5.08,-.53,;-3.62,-.06,;-6.33,-2.98,;-6.17,-4.51,;-7.74,-2.35,;-8.98,-3.26,;-10.5,-3.02,;-10.74,-4.54,;-11.99,-5.44,;-9.22,-4.78,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(C)(C)N(CC(=O)N(C)C)CC1 |t:21|
CNC(=O)N1CC(=CC1C(=O)OC)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:6|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CNCC2C1)C#N |t:21,(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,2.02,;-4.16,1.54,;-2.7,2.02,;-1.79,.77,;-2.7,-.48,;-4.16,,;-5.62,-.48,;-14.44,2.31,;-15.77,3.08,)|
CNC(=O)N1CC2CC(=CC2C1)c1cc2c(c(cnc2[nH]1)C#N)-c1cc(F)ccc1OC |c:8,(5.34,7.78,;3.8,7.78,;3.03,6.45,;3.8,5.11,;1.49,6.45,;.58,5.2,;-.88,5.68,;-2.35,5.2,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;-4.79,6.45,;-5.7,7.69,;-7.16,7.22,;-8.5,7.99,;-9.83,7.22,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-11.16,7.99,;-12.5,8.76,;-8.5,9.53,;-7.16,10.3,;-7.16,11.84,;-5.83,12.61,;-8.5,12.61,;-9.83,11.84,;-9.83,10.3,;-11.16,9.53,;-12.5,10.3,)|
NC(=O)CN1CC2CC(=CC2C1)c1cc2c(c(cnc2[nH]1)C#N)-c1cc(F)ccc1O |c:8,(3.03,9.11,;3.8,7.78,;5.34,7.78,;3.03,6.45,;1.49,6.45,;.58,5.2,;-.88,5.68,;-2.35,5.2,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;-4.79,6.45,;-5.7,7.69,;-7.16,7.22,;-8.5,7.99,;-9.83,7.22,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-11.16,7.99,;-12.5,8.76,;-8.5,9.53,;-7.16,10.3,;-7.16,11.84,;-5.83,12.61,;-8.5,12.61,;-9.83,11.84,;-9.83,10.3,;-11.16,9.53,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)NC#N)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(C)=O |t:21|
CCOC(=O)C1CCCN(C1)S(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:18|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(N)=O)CC2C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)NC#N |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)NC#N
CNS(=O)(=O)CC(=O)N1CCC(CC1)c1cc2c(c(cnc2[nH]1)C#N)-c1cc(F)ccc1OC |(-11.95,5.51,;-11.18,4.18,;-9.64,4.18,;-9.64,2.64,;-9.64,5.72,;-8.1,4.18,;-7.33,2.84,;-8.1,1.51,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;5.2,1.3,;6.53,.53,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CC(CC2C1)N[C@H](C(C)C)C(O)=O |t:21|
COC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:7|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CNCC2C1 |t:22,(-12.5,10.3,;-11.16,9.53,;-9.83,10.3,;-9.83,11.84,;-8.5,12.61,;-7.16,11.84,;-5.83,12.61,;-7.16,10.3,;-8.5,9.53,;-8.5,7.99,;-9.83,7.22,;-11.16,7.99,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-4.79,6.45,;-5.7,7.69,;-7.16,7.22,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;1.49,6.45,;.58,5.2,;-.88,5.68,;-2.35,5.2,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)CCO)CC1)C#N |t:21,(-17.53,5.71,;-15.99,5.71,;-15.22,7.05,;-15.99,8.38,;-15.22,9.72,;-13.68,9.72,;-12.91,11.05,;-12.91,8.38,;-13.68,7.05,;-12.91,5.71,;-13.68,4.38,;-12.91,3.05,;-11.37,3.05,;-10.6,4.38,;-9.09,4.7,;-8.93,6.23,;-10.34,6.86,;-11.37,5.71,;-7.6,7,;-6.27,6.23,;-4.93,7,;-4.93,8.54,;-3.6,9.31,;-2.26,8.54,;-2.26,7,;-.93,9.31,;-.93,10.85,;.4,8.54,;1.74,9.31,;3.07,8.54,;-6.27,9.31,;-7.6,8.54,;-15.22,4.38,;-16.76,4.38,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)OCC(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)OCC(=O)N1CCOCC1 |t:21|
CSc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(O)C2)CC1)C#N |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.93,-1.65,;-13.02,-.56,;-14.56,-.56,;-11.93,.53,;-6.22,-.56,;-4.68,-.56,;4,-.77,;5.33,-1.54,)|
CNS(=O)(=O)CC(=O)N1CCC(=CC1)c1cc2c(c(cnc2[nH]1)C#N)-c1cc(F)ccc1OC |c:11,(-11.95,5.51,;-11.18,4.18,;-9.64,4.18,;-9.64,2.64,;-9.64,5.72,;-8.1,4.18,;-7.33,2.84,;-8.1,1.51,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;5.2,1.3,;6.53,.53,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC(N)=O)CC1)C#N |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,4.18,;-3.48,4.18,;5.2,1.3,;6.53,.53,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C2CC(O)C2)CC1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,.77,;-11.61,3.44,;-13.1,3.84,;-12.7,5.32,;-13.47,6.66,;-11.21,4.92,;-6.22,-.56,;-4.68,-.56,)|
COCCN(C)C(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:12|
COC(=O)C[C@H]1CC[C@H](CC1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |r,wU:8.11,5.4,c:15,(-16.23,-1.9,;-15.46,-.56,;-13.92,-.56,;-13.15,-1.9,;-13.15,.77,;-11.61,.77,;-10.84,2.1,;-9.3,2.1,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,)|
COC(=O)C[C@H]1CC[C@@H](CC1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |r,wU:5.4,wD:8.11,c:15,(-16.23,-1.9,;-15.46,-.56,;-13.92,-.56,;-13.15,-1.9,;-13.15,.77,;-11.61,.77,;-10.84,2.1,;-9.3,2.1,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,)|
COC(=O)CC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C1CCC(CC(O)=O)CC1 |(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-11.61,.77,;-13.15,.77,;-13.92,2.1,;-13.15,3.44,;-15.46,2.1,;-10.84,2.1,;-9.3,2.1,)|
COC(=O)C(C)n1cc(cn1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:15|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@@H](CC(C)C)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](C)N(CC1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](C)N(CC(=O)N(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN([C@H](C)C1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)[C@H](C)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)N1CC(O)C1 |t:21|
CNS(=O)(=O)CC(=O)N1CCC(CC1)c1cc2c(c(F)cnc2[nH]1)-c1cc(F)ccc1OC |(-11.95,5.51,;-11.18,4.18,;-9.64,4.18,;-9.64,2.64,;-9.64,5.72,;-8.1,4.18,;-7.33,2.84,;-8.1,1.51,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC(O)=O)CC1)C#N |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,4.18,;-3.48,4.18,;5.2,1.3,;6.53,.53,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC1)C(=O)CC#N)C#N |(6.53,-5.15,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;1.2,-6.69,;-.14,-7.46,;1.2,-5.15,;2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;-2.71,-1.3,;-3.48,.03,;-5.02,.03,;-5.79,-1.3,;-5.02,-2.64,;-3.48,-2.64,;-7.33,-1.3,;-8.1,.03,;-8.1,-2.64,;-9.64,-2.64,;-11.18,-2.64,;5.2,-2.84,;6.53,-3.61,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(O)C2)CC1)C#N |(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.93,-1.65,;-13.02,-.56,;-14.56,-.56,;-11.93,.53,;-6.22,2.1,;-4.68,2.1,;4,-.77,;5.33,-1.54,)|
CS(=O)c1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:22|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCC(CC1)C(O)=O |t:24,(8.92,-5.15,;7.59,-4.38,;6.26,-5.15,;6.26,-6.69,;4.92,-7.46,;3.59,-6.69,;2.26,-7.46,;3.59,-5.15,;4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;7.59,-2.84,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;1.17,-5.48,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-4.94,-1.3,;-5.71,.03,;-5.71,-2.64,)|
COc1ccc(F)cc1-c1c(O)cnc2[nH]c(C3=CC4CNCC4C3)c(C#N)c12 |t:18,(-15.77,4.62,;-14.44,3.85,;-13.11,4.62,;-13.11,6.16,;-11.77,6.93,;-10.44,6.16,;-9.11,6.93,;-10.44,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-14.44,2.31,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-6.53,.77,;-5.62,2.02,;-4.16,1.54,;-2.7,2.02,;-1.79,.77,;-2.7,-.48,;-4.16,,;-5.62,-.48,;-8.97,2.02,;-8.5,3.48,;-8.02,4.95,;-10.44,1.54,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CC4CNCC4C3)c(C#N)c12 |t:18,(-12.5,10.3,;-11.16,9.53,;-9.83,10.3,;-9.83,11.84,;-8.5,12.61,;-7.16,11.84,;-5.83,12.61,;-7.16,10.3,;-8.5,9.53,;-8.5,7.99,;-9.83,7.22,;-11.16,7.99,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-4.79,6.45,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;1.49,6.45,;.58,5.2,;-.88,5.68,;-2.35,5.2,;-5.7,7.69,;-5.22,9.16,;-4.75,10.62,;-7.16,7.22,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C2CC(O)C2)CC1 |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.41,2.84,;-10.41,5.51,;-11.9,5.91,;-11.5,7.4,;-12.27,8.73,;-10.01,7,;-5.02,4.18,;-3.48,4.18,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC(=O)N(C)CCO)CC1)C#N |(-17.53,5.71,;-15.99,5.71,;-15.22,7.05,;-15.99,8.38,;-15.22,9.72,;-13.68,9.72,;-12.91,11.05,;-12.91,8.38,;-13.68,7.05,;-12.91,5.71,;-13.68,4.38,;-12.91,3.05,;-11.37,3.05,;-10.6,4.38,;-9.09,4.7,;-8.93,6.23,;-10.34,6.86,;-11.37,5.71,;-7.6,7,;-7.6,8.54,;-6.27,9.31,;-4.93,8.54,;-3.6,9.31,;-2.26,8.54,;-2.26,7,;-.93,9.31,;-.93,10.85,;.4,8.54,;1.74,9.31,;3.07,8.54,;-4.93,7,;-6.27,6.23,;-15.22,4.38,;-16.76,4.38,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)OC(C)(C)C)CC1 |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)CS(N)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)C(C)S(N)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)CS(=O)(=O)N(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(=O)OC(C)(C)C)CC2C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC[C@@H](O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC[C@H](O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1ccc(cc1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1cccc(c1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H]2CN(C[C@H]2C1)C(=O)OC(C)(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H]2CN(C[C@@H]2C1)C(=O)OC(C)(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CC(CC(O)=O)C1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.62,-.32,;-10.71,.77,;-12.25,.77,;-13.02,2.1,;-12.25,3.44,;-14.56,2.1,;-9.62,1.86,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1cnn(c1)C(C)C(O)=O |t:21|
CCOC(=O)C1=C(CNCC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |t:5|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CN(CC(O)=O)CC2C1 |t:22,(-12.5,10.3,;-11.16,9.53,;-9.83,10.3,;-9.83,11.84,;-8.5,12.61,;-7.16,11.84,;-5.83,12.61,;-7.16,10.3,;-8.5,9.53,;-8.5,7.99,;-9.83,7.22,;-11.16,7.99,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-4.79,6.45,;-5.7,7.69,;-7.16,7.22,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;1.49,6.45,;3.03,6.45,;3.8,7.78,;3.03,9.11,;5.34,7.78,;.58,5.2,;-.88,5.68,;-2.35,5.2,)|
COCCOCCOCCOCCCN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:17|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CC4CN(CC4C3)S(C)(=O)=O)c(C#N)c12 |t:18,(-12.5,10.3,;-11.16,9.53,;-9.83,10.3,;-9.83,11.84,;-8.5,12.61,;-7.16,11.84,;-5.83,12.61,;-7.16,10.3,;-8.5,9.53,;-8.5,7.99,;-9.83,7.22,;-11.16,7.99,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-4.79,6.45,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;1.49,6.45,;.58,5.2,;-.88,5.68,;-2.35,5.2,;3.03,6.45,;3.03,4.91,;4.57,6.45,;3.03,7.99,;-5.7,7.69,;-5.22,9.16,;-4.75,10.62,;-7.16,7.22,)|
CNC(=O)N1CC2CC(=CC2C1)c1[nH]c2ncc(F)c(-c3cc(F)ccc3OC)c2c1C#N |c:8,(11.89,-6.24,;10.35,-6.24,;9.58,-4.91,;10.35,-3.57,;8.04,-4.91,;7.13,-6.15,;5.67,-5.68,;4.21,-6.15,;3.3,-4.91,;4.21,-3.66,;5.67,-4.14,;7.13,-3.66,;1.76,-4.91,;.86,-6.15,;-.61,-5.68,;-1.94,-6.45,;-3.28,-5.68,;-3.28,-4.14,;-4.61,-3.37,;-1.94,-3.37,;-1.94,-1.83,;-.61,-1.06,;-.61,.48,;.72,1.25,;-1.94,1.25,;-3.28,.48,;-3.28,-1.06,;-4.61,-1.83,;-5.94,-1.06,;-.61,-4.14,;.86,-3.66,;1.33,-2.2,;1.81,-.73,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC(O)=O)CC2C1)C#N |t:21,(-12.5,10.3,;-11.16,9.53,;-9.83,10.3,;-9.83,11.84,;-8.5,12.61,;-7.16,11.84,;-5.83,12.61,;-7.16,10.3,;-8.5,9.53,;-8.5,7.99,;-9.83,7.22,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-4.79,6.45,;-5.7,7.69,;-7.16,7.22,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;1.49,6.45,;3.03,6.45,;3.8,7.78,;3.03,9.11,;5.34,7.78,;.58,5.2,;-.88,5.68,;-2.35,5.2,;-11.16,7.99,;-12.5,8.76,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N(C)C2CC(O)C2)CC1 |t:23,(8.92,-5.15,;7.59,-4.38,;6.26,-5.15,;6.26,-6.69,;4.92,-7.46,;3.59,-6.69,;2.26,-7.46,;3.59,-5.15,;4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;1.17,-5.48,;3.59,-2.07,;-.32,-1.3,;-1.09,.03,;-2.63,.03,;-3.4,-1.3,;-4.94,-1.3,;-5.71,.03,;-4.94,1.36,;-7.25,.03,;-8.02,-1.3,;-8.02,1.36,;-9.51,1.76,;-9.11,3.25,;-9.88,4.58,;-7.62,2.85,;-2.63,-2.64,;-1.09,-2.64,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CC(O)C3)CC2C1)C#N |t:21,(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,2.02,;-4.16,1.54,;-2.7,2.02,;-1.79,.77,;-.25,.77,;.52,2.1,;-.25,3.44,;2.06,2.1,;3.15,3.19,;4.24,2.1,;5.78,2.1,;3.15,1.01,;-2.7,-.48,;-4.16,,;-5.62,-.48,;-14.44,2.31,;-15.77,3.08,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:23|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)CCO)CC2C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)C3CC(O)C3)CC2C1 |t:21,(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,2.02,;-4.16,1.54,;-2.7,2.02,;-1.79,.77,;-.25,.77,;.52,-.56,;-.25,-1.9,;2.06,-.56,;2.83,.77,;2.83,-1.9,;4.32,-2.3,;3.92,-3.78,;4.69,-5.12,;2.43,-3.38,;-2.7,-.48,;-4.16,,;-5.62,-.48,)|
CNC(=O)N1CC2CC(CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC2C1)C(C)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC2C1)C(=O)CO
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC2C1)C(=O)NC#N
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC(=O)N(C)C)CC2C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC(O)CO)CC2C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC(N)=O)CC2C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC2C1)C(=O)CC#N
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCC(CC1)C(O)=O |(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,2.1,;-9.3,-.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC1)C1CCC(CC(O)=O)CC1 |t:23,(8.92,-5.15,;7.59,-4.38,;6.26,-5.15,;6.26,-6.69,;4.92,-7.46,;3.59,-6.69,;2.26,-7.46,;3.59,-5.15,;4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;1.17,-5.48,;3.59,-2.07,;-.32,-1.3,;-1.09,.03,;-2.63,.03,;-3.4,-1.3,;-2.63,-2.64,;-1.09,-2.64,;-4.94,-1.3,;-5.71,-2.64,;-7.25,-2.64,;-8.02,-1.3,;-9.56,-1.3,;-10.33,.03,;-9.56,1.36,;-11.87,.03,;-7.25,.03,;-5.71,.03,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC1)C1CCC(CC(O)=O)CC1 |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,1.51,;-9.64,1.51,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,4.18,;-8.1,4.18,)|
COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(cc12)C1=CCC(CC(O)=O)CC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,4.18,;-3.48,4.18,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)CCO |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CC(C1)C1C(O)CN1C=O |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.62,-.32,;-10.71,.77,;-9.62,1.86,;-12.25,.77,;-13.34,1.86,;-13.34,3.4,;-14.43,.77,;-13.34,-.32,;-13.34,-1.86,;-12,-2.63,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CC4CN(CC(=O)N(C)C)CC4C3)c(C#N)c12 |t:18,(-5.94,-1.06,;-4.61,-1.83,;-3.28,-1.06,;-3.28,.48,;-1.94,1.25,;-.61,.48,;.72,1.25,;-.61,-1.06,;-1.94,-1.83,;-1.94,-3.37,;-3.28,-4.14,;-4.61,-3.37,;-3.28,-5.68,;-1.94,-6.45,;-.61,-5.68,;.86,-6.15,;1.76,-4.91,;3.3,-4.91,;4.21,-3.66,;5.67,-4.14,;7.13,-3.66,;8.04,-4.91,;9.58,-4.91,;10.35,-3.57,;9.58,-2.24,;11.89,-3.57,;12.66,-2.24,;12.66,-4.91,;7.13,-6.15,;5.67,-5.68,;4.21,-6.15,;.86,-3.66,;1.33,-2.2,;1.81,-.73,;-.61,-4.14,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](C)N(CC(=O)N2CC(O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](C)N(CC(=O)N2CC(O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C(CO)CCNC1 |c:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C1CC(O)C1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-9.3,2.1,;-10.79,2.5,;-10.39,3.99,;-11.16,5.32,;-8.9,3.59,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNC[C@@H]1C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNC[C@H]1C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)C[C@@H]1C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)C[C@H]1C |t:21|
CNC(=O)[C@@H]1CCCN1C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:13|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC(=O)N3CC(O)C3)CC2C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC(=O)N3CCC[C@H]3CO)CC2C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC(=O)N(C)CCO)CC2C1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC(=O)N(C)C3CC(O)C3)CC2C1 |(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,-.48,;-4.16,,;-2.7,-.48,;-1.79,.77,;-.25,.77,;.52,-.56,;-.25,-1.9,;2.06,-.56,;2.83,.77,;2.83,-1.9,;4.32,-2.3,;3.92,-3.78,;4.69,-5.12,;2.43,-3.38,;-2.7,2.02,;-4.16,1.54,;-5.62,2.02,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CC2CN(CC2C1)C(=O)C1CC(O)C1 |(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,-.48,;-4.16,,;-2.7,-.48,;-1.79,.77,;-2.7,2.02,;-4.16,1.54,;-5.62,2.02,;-.25,.77,;.52,2.1,;.52,-.56,;2.01,-.96,;1.61,-2.45,;2.38,-3.78,;.12,-2.05,)|
CNS(=O)(=O)CC(=O)N1CC2CC(CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2)C#N |t:21,TLB:15:18:22.21:25,(6.67,2.31,;5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;-1.29,-3.77,;-2.48,-4.76,;-1.59,-6.24,;-.14,-6.1,;1.05,-6.75,;-.59,-6.58,;-1.5,-5.01,;-1.77,-7.56,;4,2.31,;5.33,3.08,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2 |t:22,TLB:16:19:23.22:26,(6.67,2.31,;5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;4,2.31,;1.33,2.31,;,1.54,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;-1.29,-3.77,;-2.48,-4.76,;-1.59,-6.24,;-.14,-6.1,;1.05,-6.75,;-.59,-6.58,;-1.5,-5.01,;-1.77,-7.56,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2C(=O)NC#N |t:22,TLB:16:19:26:23.22,(6.67,2.31,;5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;4,2.31,;1.33,2.31,;,1.54,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;-1.29,-3.77,;-2.48,-4.76,;-1.59,-6.24,;-.14,-6.1,;1.05,-6.75,;-.59,-6.58,;-1.5,-5.01,;-1.77,-7.56,;-2.52,-8.91,;-4.06,-8.93,;-1.73,-10.23,;-2.48,-11.57,;-3.23,-12.92,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)CCO)CC2C1)C#N |t:21,(-12.5,10.3,;-11.16,9.53,;-9.83,10.3,;-9.83,11.84,;-8.5,12.61,;-7.16,11.84,;-5.83,12.61,;-7.16,10.3,;-8.5,9.53,;-8.5,7.99,;-9.83,7.22,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-4.79,6.45,;-5.7,7.69,;-7.16,7.22,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;1.49,6.45,;3.03,6.45,;3.8,5.11,;5.34,5.11,;3.03,3.78,;1.49,3.78,;3.8,2.44,;3.03,1.11,;3.8,-.22,;.58,5.2,;-.88,5.68,;-2.35,5.2,;-11.16,7.99,;-12.5,8.76,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(O)=O)C#N |t:21,TLB:15:18:21.22:25,(,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-5.33,,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;-.52,3.98,;-1.14,2.57,;,1.54,;-1.29,5.31,;-1.55,6.84,;-3.28,6.81,;-3.88,5.48,;-5.04,4.78,;-4.07,6.11,;-2.25,6.11,;-4.33,7.63,;-5.12,8.95,;-6.66,8.92,;-7.41,7.58,;-7.45,10.25,;1.33,-2.31,;1.33,-3.85,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(O)=O |t:22,TLB:16:19:22.23:26,(,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-5.33,,;-2.67,,;-1.33,-.77,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;-.52,3.98,;-1.14,2.57,;,1.54,;-1.29,5.31,;-1.55,6.84,;-3.28,6.81,;-3.88,5.48,;-5.04,4.78,;-4.07,6.11,;-2.25,6.11,;-4.33,7.63,;-5.12,8.95,;-6.66,8.92,;-7.41,7.58,;-7.45,10.25,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(N)=O)C#N |t:21,TLB:15:18:21.22:25,(,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-5.33,,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;-.52,3.98,;-1.14,2.57,;,1.54,;-1.29,5.31,;-1.55,6.84,;-3.28,6.81,;-3.88,5.48,;-5.04,4.78,;-4.07,6.11,;-2.25,6.11,;-4.33,7.63,;-5.12,8.95,;-6.66,8.92,;-7.41,7.58,;-7.45,10.25,;1.33,-2.31,;1.33,-3.85,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCC(CC(O)=O)CC1 |(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-6.22,2.1,;-4.68,2.1,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)C3CC(O)C3)CC2C1)C#N |t:21,(-12.5,10.3,;-11.16,9.53,;-9.83,10.3,;-9.83,11.84,;-8.5,12.61,;-7.16,11.84,;-5.83,12.61,;-7.16,10.3,;-8.5,9.53,;-8.5,7.99,;-9.83,7.22,;-9.83,5.68,;-8.5,4.91,;-7.16,5.68,;-5.7,5.2,;-4.79,6.45,;-5.7,7.69,;-7.16,7.22,;-3.25,6.45,;-2.35,7.69,;-.88,7.22,;.58,7.69,;1.49,6.45,;3.03,6.45,;3.8,7.78,;3.03,9.11,;5.34,7.78,;6.11,6.45,;6.11,9.11,;5.71,10.6,;7.2,11,;7.97,12.33,;7.59,9.51,;.58,5.2,;-.88,5.68,;-2.35,5.2,;-11.16,7.99,;-12.5,8.76,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCC(CC1)N1CCC[C@H]1C(=O)N(C)C |wD:29.34,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.24,4.09,;-9.7,3.61,;-9.7,2.07,;-8.24,1.6,;-7.76,.13,;-6.26,-.19,;-8.79,-1.01,;-8.32,-2.48,;-10.3,-.69,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCC(CC1)C(O)=O |t:23|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)CCO)C#N |t:21,TLB:15:18:21.22:25,(,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-5.33,,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;-.52,3.98,;-1.14,2.57,;,1.54,;-1.29,5.31,;-1.55,6.84,;-3.28,6.81,;-3.88,5.48,;-5.04,4.78,;-4.07,6.11,;-2.25,6.11,;-4.33,7.63,;-5.12,8.95,;-4.37,10.29,;-5.16,11.61,;-2.83,10.32,;-2.04,8.99,;-2.08,11.66,;-.54,11.69,;.21,13.03,;1.33,-2.31,;1.33,-3.85,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N1CCC[C@H]1CO)C#N |wD:33.39,t:21,TLB:15:18:21.22:25,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-5.36,1.31,;-6.2,-.21,;-5.35,-1.39,;-5.32,-2.74,;-5.99,-1.24,;-5.08,.33,;-7.43,-.71,;-8.97,-.73,;-9.72,-2.07,;-8.93,-3.4,;-11.26,-2.1,;-12.19,-.87,;-13.65,-1.36,;-13.62,-2.9,;-12.15,-3.36,;-11.65,-4.81,;-10.14,-5.11,;4,-.77,;5.33,-1.54,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N1CC(O)C1)C#N |t:21,TLB:15:18:21.22:25,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-5.36,1.31,;-6.2,-.21,;-5.35,-1.39,;-5.32,-2.74,;-5.99,-1.24,;-5.08,.33,;-7.43,-.71,;-8.97,-.73,;-9.72,-2.07,;-8.93,-3.4,;-11.26,-2.1,;-12.34,-3.2,;-13.44,-2.13,;-14.98,-2.15,;-12.37,-1.03,;4,-.77,;5.33,-1.54,)|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCC(CC(O)=O)CC1)C#N |t:21,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,4.18,;-3.48,4.18,;5.2,1.3,;6.53,.53,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2 |t:21,TLB:15:18:23.22.21:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2S(C)(=O)=O |t:21,TLB:15:18:21.22.23:26|
CNC(=O)N1C2CCCC1C=C(C2)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11,THB:13:11:8.7.6:4|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2CC(=O)N(C)C |t:21,TLB:15:18:21.22.23:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2C(=O)CC#N |t:21,TLB:15:18:21.22.23:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2C(=O)C1CC(O)C1 |t:21,TLB:15:18:21.22.23:26,(-1.65,-1.38,;-2.33,-2.76,;-3.87,-2.85,;-4.72,-1.57,;-6.26,-1.66,;-6.94,-3.04,;-8.48,-3.14,;-6.09,-4.33,;-4.56,-4.23,;-3.7,-5.52,;-4.39,-6.89,;-3.54,-8.18,;-2,-8.08,;-1.32,-6.71,;.17,-6.29,;.23,-4.75,;-1.21,-4.22,;-2.17,-5.42,;1.52,-3.9,;2.29,-2.82,;2.17,-1.04,;.46,-1.04,;.22,-2.54,;1.16,-1.75,;2.95,-1.73,;3.04,-3.57,;3.2,-.23,;3.98,1.1,;3.22,2.44,;5.52,1.09,;6.61,2.17,;7.7,1.07,;9.24,1.06,;6.6,-.01,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N1CC(O)C1 |t:22,TLB:16:19:22.23:26,(,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-5.33,,;-2.67,,;-1.33,-.77,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;-.52,3.98,;-1.14,2.57,;,1.54,;-1.29,5.31,;-1.55,6.84,;-3.28,6.81,;-3.88,5.48,;-5.04,4.78,;-4.07,6.11,;-2.25,6.11,;-4.33,7.63,;-5.12,8.95,;-6.66,8.92,;-7.41,7.58,;-7.45,10.25,;-8.94,10.62,;-8.57,12.12,;-9.36,13.44,;-7.07,11.74,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N1CCC[C@H]1CO |wD:34.40,t:22,TLB:16:19:22.23:26,(,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-5.33,,;-2.67,,;-1.33,-.77,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;-.52,3.98,;-1.14,2.57,;,1.54,;-1.29,5.31,;-1.55,6.84,;-3.28,6.81,;-3.88,5.48,;-5.04,4.78,;-4.07,6.11,;-2.25,6.11,;-4.33,7.63,;-5.12,8.95,;-6.66,8.92,;-7.41,7.58,;-7.45,10.25,;-6.84,11.66,;-8,12.68,;-9.33,11.89,;-8.98,10.38,;-10,9.22,;-11.51,9.52,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)CCO |t:22,TLB:16:19:22.23:26,(,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-5.33,,;-2.67,,;-1.33,-.77,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;-.52,3.98,;-1.14,2.57,;,1.54,;-1.29,5.31,;-1.55,6.84,;-3.28,6.81,;-3.88,5.48,;-5.04,4.78,;-4.07,6.11,;-2.25,6.11,;-4.33,7.63,;-5.12,8.95,;-4.37,10.29,;-5.16,11.61,;-2.83,10.32,;-2.04,8.99,;-2.08,11.66,;-.54,11.69,;.21,13.03,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:34.39,wD:31.35,t:22,TLB:16:19:22.23:26,(,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-5.33,,;-2.67,,;-1.33,-.77,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;-.52,3.98,;-1.14,2.57,;,1.54,;-1.29,5.31,;-1.55,6.84,;-3.28,6.81,;-3.88,5.48,;-5.04,4.78,;-4.07,6.11,;-2.25,6.11,;-4.33,7.63,;-5.12,8.95,;-6.66,8.92,;-7.41,7.58,;-7.45,10.25,;-8.99,10.22,;-9.78,11.54,;-11.32,11.52,;-12.07,10.18,;-13.61,10.15,;-11.28,8.85,;-9.74,8.88,)|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:21|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:22|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:20|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(C)(CC1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(=O)N(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CC(=O)N(C)C)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(=O)N2CC(O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CN(C1)C(=O)OC(C)(C)C |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C1CN(C1)C(=O)OC(C)(C)C
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCC(CC(O)=O)CC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-5.02,4.18,;-3.48,4.18,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CNC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C1CNC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1cc(OCc2ccccc2)no1 |t:21|
COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O)C#N |t:21,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,1.51,;-8.1,4.18,;5.2,1.3,;6.53,.53,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(N3CCN(CC3)C(=O)OC(C)(C)C)c([N+]([O-])=O)c12
COc1ccc(F)cc1-c1ccnc2[nH]c(N3CCNCC3)c([N+]([O-])=O)c12
CNC(=O)N1CCN(CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1[N+]([O-])=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CN(C1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C1CN(C1)S(C)(=O)=O
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(=O)N(C)C2CC(O)C2)CC1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.58,2.16,;-6.08,2.5,;-7.28,1.54,;-7.28,,;-8.67,-.67,;-9.94,.2,;-9.83,1.74,;-11.33,-.47,;-11.45,-2,;-12.6,.4,;-14.12,.11,;-14.4,1.63,;-15.68,2.49,;-12.89,1.91,;-6.08,-.96,;-4.58,-.62,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(=O)N(C)CCO)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(CC(=O)N2CCC[C@H]2CO)CC1 |t:21|
COc1ccc(F)cc1-c1c(OC)cnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O |t:23,(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-14.44,2.31,;-14.44,3.85,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,2.02,;-4.16,1.54,;-2.7,2.02,;-1.79,.77,;-2.7,-.48,;-4.16,,;-5.62,-.48,;-.25,.77,;-.25,2.31,;1.29,.77,;-.25,-.77,)|
COc1ccc(F)cc1-c1c(OC)cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)C)CC2C1 |t:23,(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-14.44,2.31,;-14.44,3.85,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,2.02,;-4.16,1.54,;-2.7,2.02,;-1.79,.77,;-.25,.77,;.52,2.1,;-.25,3.44,;2.06,2.1,;2.83,3.44,;2.83,.77,;-2.7,-.48,;-4.16,,;-5.62,-.48,)|
COc1cc(F)c(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:23,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,2.1,;-9.3,-.56,)|
COc1cc(F)ccc1-c1c(F)cnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;2.53,-4.86,;1.2,-2.55,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,1.51,;-8.1,4.18,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCN(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C2CC(O)C2)CC1 |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.41,2.84,;-10.41,5.51,;-11.9,5.91,;-11.5,7.4,;-12.27,8.73,;-10.01,7,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)CCO)CC1 |t:22,(-17.53,5.71,;-15.99,5.71,;-15.22,7.05,;-15.99,8.38,;-15.22,9.72,;-13.68,9.72,;-12.91,11.05,;-12.91,8.38,;-13.68,7.05,;-12.91,5.71,;-13.68,4.38,;-15.22,4.38,;-12.91,3.05,;-11.37,3.05,;-10.6,4.38,;-9.09,4.7,;-8.93,6.23,;-10.34,6.86,;-11.37,5.71,;-7.6,7,;-6.27,6.23,;-4.93,7,;-4.93,8.54,;-3.6,9.31,;-2.26,8.54,;-2.26,7,;-.93,9.31,;-.93,10.85,;.4,8.54,;1.74,9.31,;3.07,8.54,;-6.27,9.31,;-7.6,8.54,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |wD:30.34,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.55,5.42,;-12.01,4.95,;-12.01,3.41,;-10.55,2.93,;-10.07,1.47,;-11.1,.32,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:30.33,wD:27.29,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.41,5.51,;-9.64,6.84,;-10.41,8.18,;-11.95,8.18,;-12.72,9.51,;-12.72,6.84,;-11.95,5.51,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)c1cc(O)no1 |t:21|
CNC(=O)N1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1O |c:12|
CNC(=O)N1CC(C1)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CC(C1)C#N |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.62,-.32,;-10.71,.77,;-9.62,1.86,;-12.25,.77,;-13.79,.77,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(C1)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC2(CCNCC2)CC1 |t:21|
CNC(=O)N1CCC2(CC1)CCC(=CC2)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:13|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC2(CCN(CC2)S(C)(=O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CC(CO)C1 |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.62,-.32,;-10.71,.77,;-12.25,.77,;-13.02,-.56,;-9.62,1.86,)|
COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.32,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,1.51,;-8.1,1.51,)|
COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(cc12)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:25.28,28.32,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,1.51,;-8.1,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)NC2CCS(=O)(=O)C2)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)NC2CCS(=O)(=O)C2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(C2)S(C)(=O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(C2)S(C)(=O)=O)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)Nc2cnn(C)c2)CC1 |t:21|
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O |t:21|
COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O |t:22|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2CC(=O)N(C)CCO |t:21,TLB:15:18:21.22.23:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2CC(=O)N1CC(O)C1 |t:21,TLB:15:18:21.22.23:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2CC(=O)N1CCC[C@H]1CO |t:21,TLB:15:18:21.22.23:26|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2CC(=O)N(C)C1CC(O)C1 |t:21,TLB:15:18:21.22.23:26,(-1.65,-1.38,;-2.33,-2.76,;-3.87,-2.85,;-4.72,-1.57,;-6.26,-1.66,;-6.94,-3.04,;-8.48,-3.14,;-6.09,-4.33,;-4.56,-4.23,;-3.7,-5.52,;-4.39,-6.89,;-3.54,-8.18,;-2,-8.08,;-1.32,-6.71,;.17,-6.29,;.23,-4.75,;-1.21,-4.22,;-2.17,-5.42,;1.52,-3.9,;2.29,-2.82,;2.17,-1.04,;.46,-1.04,;.22,-2.54,;1.16,-1.75,;2.95,-1.73,;3.04,-3.57,;3.2,-.23,;3.98,1.1,;5.52,1.09,;6.28,-.25,;6.3,2.42,;5.54,3.76,;7.84,2.41,;8.93,3.49,;10.02,2.39,;11.56,2.38,;8.92,1.31,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCCC(C1)N2CC(O)=O |t:21,TLB:15:18:21.22.23:26|
COc1ccccc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O |t:20|
COc1ccc(F)cc1-c1ccnc2[nH]c(N3CCNCC3)c(C#N)c12
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CCNC(=O)OC(C)(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC[C@@H](O)C2)CC1 |wD:29.32,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-7.33,2.84,;-8.1,4.18,;-7.33,5.51,;-9.64,4.18,;-10.55,5.42,;-12.01,4.95,;-12.01,3.41,;-13.26,2.5,;-10.55,2.93,;-5.02,1.51,;-3.48,1.51,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(CC1)C(O)=O |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,1.51,;-9.64,1.51,;-10.41,2.84,;-9.64,4.18,;-8.1,4.18,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CC(=O)N2CC(O)C2)CC1
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NC12CC(C1)(C2)C(O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CCN)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CCNS(C)(=O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CCNC(C)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CCS(=O)(=O)N(C)C)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(N3CCN(CC3)S(C)(=O)=O)c([N+]([O-])=O)c12
COc1ccc(F)cc1-c1ccnc2[nH]c(N3CCN(CC3)S(C)(=O)=O)c(C#N)c12
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC2O)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C1CCN(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN([C@@H](C)C1)S(C)(=O)=O |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)CCO)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)C1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2CO)C1 |t:21|
CN(C)C(=O)CN1CCC(CC1)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1O |c:16|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC[C@H](CC1)C1CCN(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC[C@@H](CC1)C1CCN(CC(O)=O)CC1 |t:21|
COC(=O)C=C1CCC(CC1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:15,(-16.23,-1.9,;-15.46,-.56,;-13.92,-.56,;-13.15,-1.9,;-13.15,.77,;-11.61,.77,;-10.84,-.56,;-9.3,-.56,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC[C@H](CC1)N1CCN(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC[C@@H](CC1)N1CCN(CC(O)=O)CC1 |t:21|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(CC1)=CC(O)=O |t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-11.61,.77,;-10.84,2.1,;-9.3,2.1,;-13.15,.77,;-13.92,-.56,;-15.46,-.56,;-13.15,-1.9,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC1)C(O)=O |r,wU:24.27,27.34,t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-11.61,.77,;-10.84,2.1,;-9.3,2.1,;-13.15,.77,;-13.92,2.1,;-13.92,-.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:27.34,wD:24.27,t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-11.61,.77,;-10.84,-.56,;-9.3,-.56,;-13.15,.77,;-13.92,2.1,;-13.92,-.56,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:25.28,28.32,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,1.51,;-8.1,1.51,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.32,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,1.51,;-8.1,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCC(CC(O)=O)CC1 |t:21|
COC(=O)C=C1CCC(CC1)N1CCC(=CC1)c1cc2c(c(F)cnc2[nH]1)-c1cc(F)ccc1OC |c:15,(-15.03,.18,;-14.26,1.51,;-12.72,1.51,;-11.95,.18,;-11.95,2.84,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;2.53,-.24,;1.2,-1.01,;1.2,-2.55,;-.14,-3.32,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC1)C(O)=O |r,wU:25.28,28.35,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,1.51,;-9.64,1.51,;-10.41,2.84,;-9.64,4.18,;-8.1,4.18,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(CC1)=CC(O)=O |t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,1.51,;-9.64,1.51,;-10.41,2.84,;-9.64,4.18,;-8.1,4.18,;-11.95,2.84,;-12.72,1.51,;-11.95,.18,;-14.26,1.51,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.32,wD:25.28,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,1.51,;-8.1,1.51,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC(=O)NS(=O)(=O)C(C)C)CC1 |r,wU:27.31,wD:24.27,t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-11.61,.77,;-13.15,.77,;-13.92,2.1,;-13.15,3.44,;-15.46,2.1,;-16.23,3.44,;-14.9,4.21,;-17.56,2.67,;-17,4.77,;-18.54,4.77,;-16.23,6.1,;-10.84,-.56,;-9.3,-.56,)|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(=O)NS(=O)(=O)C(C)C |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,;-14.26,4.18,;-14.26,2.64,;-14.26,5.72,;-15.8,4.18,;-16.57,5.51,;-16.57,2.84,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C1CCC(CC(O)=O)CC1 |t:21,(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,2.02,;-4.16,1.54,;-2.7,2.02,;-1.79,.77,;-2.7,-.48,;-4.16,,;-5.62,-.48,;-.25,.77,;.52,2.1,;2.06,2.1,;2.83,.77,;4.37,.77,;5.14,-.56,;4.37,-1.9,;6.68,-.56,;2.06,-.56,;.52,-.56,)|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C1CCC(CC1)=CC(O)=O |t:21,(-7.77,4.62,;-9.11,3.85,;-10.44,4.62,;-10.44,6.16,;-11.77,6.93,;-13.11,6.16,;-14.44,6.93,;-13.11,4.62,;-11.77,3.85,;-11.77,2.31,;-13.11,1.54,;-13.11,,;-11.77,-.77,;-10.44,,;-8.97,-.48,;-8.07,.77,;-8.97,2.02,;-10.44,1.54,;-6.53,.77,;-5.62,2.02,;-4.16,1.54,;-2.7,2.02,;-1.79,.77,;-2.7,-.48,;-4.16,,;-5.62,-.48,;-.25,.77,;.52,2.1,;2.06,2.1,;2.83,.77,;2.06,-.56,;.52,-.56,;4.37,.77,;5.14,2.1,;6.68,2.1,;4.37,3.44,)|
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O
C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNCc1ccccc1
COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(Cn3cnc4ccccc34)c2)ncn1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN1C(=O)c2ccccc2C1=O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNS(C)(=O)=O
COc1ccccc1-c1cc(Nc2ccc(cc2)N(C)C)ncn1
COc1ccccc1-c1cc(Nc2ccc(Cl)c(CO)c2)ncn1
COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(=O)NN)ncn1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OCCN1CCOCC1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NS(C)(=O)=O
CNS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
COc1ccccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
COc1ccccc1-c1cc(Nc2ccc(O)c(c2)[N+]([O-])=O)ncn1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NS(=O)(=O)NC1CCCCC1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CCOC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1Cl
COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(=O)N2CCCC2)ncn1
COc1ccccc1-c1cc(Nc2ccc(Cl)c(Cn3cnc4ccccc34)c2)ncn1
COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(CO)c2)ncn1
CCOC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1N1CCOCC1
COc1ccccc1-c1cc(Nc2ccc(N3CCOCC3)c(CO)c2)ncn1
COc1ccccc1-c1cc(Nc2ccc(Cl)c(CN3C(=O)c4ccccc4C3=O)c2)ncn1
COC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1F
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCc1ccccc1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CO
CNC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(=O)C(C)(C)C
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(=O)OCC(Cl)(Cl)Cl
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCc1ccncc1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C=O
COC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NN
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNc1ccccc1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN(C)C
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OCc1ccccc1
CNCc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(c2)S(N)(=O)=O)ncn1
CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12
COc1ccccc1-c1cc(Nc2ccc(F)c(Cn3cnc4ccccc34)c2)ncn1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1N
COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(Cn3cnc4ccccc34)c2)ncn1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN
COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(N)=O)ncn1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(N)=O |$;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)N(C)N
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCCCN1CCN(C)CC1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCCO
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(O)=O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(C)=O
COC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
CNC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(=O)C(C)(C)C
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Nc1nc2ccccc2[nH]1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC=O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(N)=O
COc1ccccc1-c1cc(Nc2ccc(c(F)c2)[N+]([O-])=O)ncn1
COc1ccccc1-c1cc(Nc2ccc(c(OC)c2)[N+]([O-])=O)ncn1
COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1N
COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1NS(C)(=O)=O
CCOc1ccccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
CCOc1ccccc1-c1cc(Nc2ccc(OC)c(N)c2)ncn1
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1[N+]([O-])=O
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1N
COc1ccc(cc1)-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
COc1ccc(cc1)-c1cc(Nc2ccc(OC)c(N)c2)ncn1
COc1cccc(c1)-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
COc1cccc(c1)-c1cc(Nc2ccc(OC)c(N)c2)ncn1
COc1ccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)cc1[N+]([O-])=O
COc1ccc(Nc2cc(ncn2)-c2ccccc2O)cc1N
COc1ccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)cc1N
CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(N)c2)ncn1
COc1ccc(F)cc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1N
COc1ccc(Nc2cc(ncn2)-c2ccccc2Oc2ccccc2)cc1[N+]([O-])=O
COc1ccc(Nc2cc(ncn2)-c2ccccc2Oc2ccccc2)cc1N
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC(C)C)cc1[N+]([O-])=O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC(C)C)cc1N
COc1ccc(Nc2cc(ncn2)-c2cccc(F)c2OC)cc1[N+]([O-])=O
COc1ccc(Nc2cc(ncn2)-c2cccc(F)c2OC)cc1N
COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1[N+]([O-])=O
COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1N
COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1NC=O
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC(C)C)cc1[N+]([O-])=O
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC(C)C)cc1N
COc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)[N+]([O-])=O)ncn1
COc1ccccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
CCOc1cc(F)ccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
COc1cc(F)ccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
COc1ccc(F)cc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
COc1cc(F)c(Nc2cc(ncn2)-c2ccccc2OC)cc1N
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(C)=O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(=O)N(C)C
COC(=O)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
COc1ccccc1-c1cc(Nc2ccc(Oc3ccccc3)c(c2)[N+]([O-])=O)ncn1
COc1ccccc1-c1cc(Nc2ccc(Oc3ccccc3)c(N)c2)ncn1
COC(=O)N(C)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
CNc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1[N+]([O-])=O
CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1N
COc1cc(F)ccc1-c1cc(Nc2ccc(F)c(c2)[N+]([O-])=O)ncn1
CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1[N+]([O-])=O
COc1cc(F)ccc1-c1cc(Nc2ccc(F)c(N)c2)ncn1
CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1N
COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(F)c2)ncn1
COc1ccccc1-c1cc(Nc2ccc(Cl)c(O)c2)ncn1
COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(O)c2)ncn1
COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(c2)C(N)=O)ncn1
CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1O
CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(N)=O
CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
COc1cc(F)ccc1-c1cc(Nc2ccc(N(C)C)c(c2)C(N)=O)ncn1
CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1O
COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Br
COc1ccccc1-c1cc(Nc2ccc(OC)c(c2)C2=CCNCC2)ncn1 |t:22|
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1NC(C)=O
COC(=O)Nc1cc(Nc2cc(ncn2)-c2ccc(F)cc2OC)ccc1OC
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1NC(N)=O
COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OCc1ccccc1
COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1O
COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1O
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1O
CCOc1ccccc1-c1cc(Nc2ccc(OC)c(O)c2)ncn1
COC(=O)Oc1cc(Nc2cc(ncn2)-c2ccc(F)cc2OC)ccc1OC
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1OC(C)=O
COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1C(N)=O
COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
CCOc1ccccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
CCOc1ccc(F)cc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
COc1ccccc1-c1cc(Nc2ccc(C(N)=O)c(Cl)c2)ncn1
COC(=O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC
CNC(=O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC
COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C(=O)NCCO
COc1ccccc1-c1cc(Nc2ccc(C(N)=O)c(OC)c2)ncn1
COc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
COc1cc(F)ccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
CCOc1cc(F)ccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
COc1ccc(F)cc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
CCOc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
CCOc1ccc(F)cc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
COc1ccccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
COc1ccc(F)cc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
CCOc1ccccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
COc1cc(F)c(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
CCOc1cc(F)ccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
CCOc1ccc(F)cc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)n2ncc(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncc(C(C)C)n2n1 |r|
Nc1nccc(n1)-c1cc2c([nH]1)[C@H](CCF)CNC2=O |r|
Nc1nccc(n1)-c1cc2c([nH]1)[C@@H](CCF)CNC2=O |r|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.92,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
Fc1cccc(CNc2cccc(n2)-c2cc(NC3CCNCC3)ncc2Cl)c1
CCS(=O)(=O)N1CCC(CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
CN(C)CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:10.13,wD:7.6,(8,1.92,;6.67,2.69,;6.67,4.23,;5.33,1.93,;4,2.69,;4,4.23,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.93,;1.33,-1.92,;-4,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC2CCNCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.12,;4,1.89,;4,3.43,;2.67,4.2,;1.33,3.43,;1.33,1.89,;2.67,1.12,;,4.2,;-1.33,3.43,;-1.33,1.89,;-2.67,1.12,;-4,1.89,;-5.33,1.12,;-4,3.43,;-2.67,4.2,;-2.67,-.42,;-4,-1.19,;-4,-2.73,;-2.67,-3.5,;-1.33,-2.73,;,-3.5,;1.49,-3.11,;2.58,-4.2,;4.06,-3.8,;4.46,-2.31,;3.37,-1.22,;1.89,-1.62,;-1.33,-1.19,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(OCc2cccc(F)c2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
Fc1cccc(CNc2cncc(n2)-c2ccnc(N[C@H]3CC[C@@H](CC3)NCc3ccccc3)c2)c1 |r,wU:20.20,wD:23.27,(3.33,-1.93,;2,-2.69,;2,-4.23,;.67,-5,;-.67,-4.23,;-.67,-2.69,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-6,.38,;-4.67,-.38,;-6,1.93,;-7.34,2.69,;-7.34,4.23,;-6,5,;-4.67,4.23,;-3.33,5,;-2,4.23,;-.67,5,;.67,4.23,;.67,2.69,;-.67,1.93,;-2,2.69,;2,1.93,;3.33,2.69,;4.67,1.92,;4.67,.38,;6,-.39,;7.34,.38,;7.34,1.92,;6,2.69,;-4.67,2.69,;.67,-1.92,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1cc(cc(NCc2cccc(F)c2)n1)C(F)(F)F |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.93,;4,-1.92,;-1.33,-.38,;-5.33,-2.7,;-6.67,-1.93,;-5.33,-4.24,;-6.67,-3.47,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.68,;3.33,2.45,;3.33,3.99,;2,4.76,;.67,3.99,;.67,2.45,;2,1.68,;-.67,4.76,;-2,3.99,;-2,2.45,;-3.33,1.68,;-4.67,2.45,;-6,1.68,;-4.67,3.99,;-3.33,4.76,;-3.33,.14,;-4.67,-.63,;-4.67,-2.17,;-3.33,-2.94,;-3.33,-4.48,;-2,-2.17,;-.67,-2.94,;.67,-2.17,;2,-2.94,;2,-4.48,;3.33,-5.25,;4.67,-4.48,;4.67,-2.94,;6,-2.17,;3.33,-2.17,;-2,-.63,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(N)c(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.68,;3.33,2.45,;3.33,3.99,;2,4.76,;.67,3.99,;.67,2.45,;2,1.68,;-.67,4.76,;-2,3.99,;-2,2.45,;-3.33,1.68,;-4.67,2.45,;-6,1.68,;-4.67,3.99,;-3.33,4.76,;-3.33,.14,;-4.67,-.63,;-4.67,-2.17,;-3.33,-2.94,;-3.33,-4.48,;-2,-2.17,;-.67,-2.94,;.67,-2.17,;2,-2.94,;2,-4.48,;3.33,-5.25,;4.67,-4.48,;4.67,-2.94,;6,-2.17,;3.33,-2.17,;-2,-.63,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(C(N)=O)c(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.68,;3.33,2.45,;3.33,3.99,;2,4.76,;.67,3.99,;.67,2.45,;2,1.68,;-.67,4.76,;-2,3.99,;-2,2.45,;-3.33,1.68,;-4.67,2.45,;-6,1.68,;-4.67,3.99,;-3.33,4.76,;-3.33,.14,;-4.67,-.63,;-4.67,-2.17,;-3.33,-2.94,;-3.33,-4.48,;-4.67,-5.25,;-2,-5.25,;-2,-2.17,;-.67,-2.94,;.67,-2.17,;2,-2.94,;2,-4.48,;3.33,-5.25,;4.67,-4.48,;4.67,-2.94,;6,-2.17,;3.33,-2.17,;-2,-.63,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cc(cc(NCc2cccc(F)c2)n1)C#N |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.93,;4,-1.92,;-1.33,-.38,;-5.33,-2.69,;-6.67,-3.47,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cc(cc(NCc2cccc(F)c2)n1)C(N)=O |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.93,;4,-1.92,;-1.33,-.38,;-5.33,-2.69,;-6.67,-1.93,;-5.33,-4.23,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cc(cc(NCc2cccc(F)c2)n1)C(O)=O |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.93,;4,-1.92,;-1.33,-.38,;-5.33,-2.69,;-6.67,-1.93,;-5.33,-4.23,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:6.9,wD:3.2,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:7.10,wD:4.3,(7.34,2.69,;6,1.93,;4.67,2.69,;3.33,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;3.33,-2.69,;4.67,-1.93,;2,-1.92,;-3.33,-.38,)|
CS(=O)(=O)CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:10.13,wD:7.6,(8,1.92,;6.67,2.69,;6.67,4.23,;8,3.47,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.93,;1.33,-1.92,;-4,-.38,)|
CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
CNC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:6.9,wD:3.2,(6,-.38,;4.67,.38,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.92,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
Fc1cc(F)cc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@@H](CC3)N3CCCC3)ncc2Cl)c1 |r,wU:19.19,wD:22.26,(2.82,-5.78,;2.82,-4.23,;4.15,-3.47,;4.15,-1.93,;5.48,-1.16,;2.82,-1.15,;1.48,-1.93,;.15,-1.15,;-1.18,-1.93,;-2.52,-1.15,;-3.85,-1.93,;-5.19,-1.15,;-5.19,.38,;-3.85,1.15,;-2.52,.38,;-3.85,2.69,;-2.52,3.47,;-2.52,5,;-1.18,5.78,;.15,5,;1.48,5.78,;2.82,5,;2.82,3.47,;1.48,2.69,;.15,3.47,;4.15,2.69,;4.15,1.15,;5.61,.68,;6.52,1.93,;5.61,3.17,;-3.85,5.78,;-5.19,5,;-5.19,3.47,;-6.52,2.69,;1.48,-3.47,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCCCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccccc2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccnc2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(F)c(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccncc2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)cc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,2.69,;3.33,3.47,;3.33,5,;2,5.78,;.67,5,;.67,3.47,;2,2.69,;-.67,5.78,;-2,5,;-2,3.47,;-3.33,2.69,;-4.67,3.47,;-6,2.69,;-4.67,5,;-3.33,5.78,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;.67,-1.15,;2,-1.93,;3.33,-1.15,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;-2,.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1cncc(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4,1.93,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.93,;-5.33,2.69,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.93,;2.67,-1.92,;-2.67,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4,1.93,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.93,;-5.33,2.69,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.93,;2.67,-1.92,;-2.67,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1cccc(NCc2ccncc2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.92,;-2,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(n1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-3.33,5,;-4.67,4.23,;-4.67,2.69,;-6,1.93,;-3.33,1.93,;-2,2.69,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(n1)-c1cccc(NCc2ccncc2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-2.67,1.93,;-1.33,2.69,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(OC(F)F)c2)n1 |r,wU:4.7,wD:1.0,(3.33,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;3.33,-2.69,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;6,-4.24,;2,-1.92,;-3.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(Cl)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cncc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)ccc2F)n1 |r,wU:4.7,wD:1.0,(5.33,2.69,;4,3.47,;4,5,;2.67,5.78,;1.33,5,;1.33,3.47,;2.67,2.69,;,5.78,;-1.33,5,;-1.33,3.47,;-2.67,2.69,;-4,3.47,;-5.33,2.69,;-4,5,;-2.67,5.78,;-2.67,1.15,;-4,.38,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;2.67,-3.47,;4,-4.23,;4,-5.78,;5.33,-3.47,;5.33,-1.93,;4,-1.15,;4,.39,;-1.33,.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccccc2F)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;4,-.38,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccccc2Cl)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;4,-.38,;-1.33,-.38,)|
Cc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)c1 |r,wU:18.18,wD:21.22,(6,-1.93,;4.67,-2.69,;4.67,-4.23,;3.33,-5,;2,-4.23,;2,-2.69,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-3.33,1.93,;-2,2.69,;-2,4.23,;-.67,5,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;4.67,1.93,;2,1.93,;.67,2.69,;-3.33,5,;-4.67,4.23,;-4.67,2.69,;-6,1.93,;3.33,-1.92,)|
COc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)c1 |r,wU:19.19,wD:22.23,(6.67,-2.7,;5.33,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;1.33,-2.69,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-4,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;2.67,4.23,;2.67,2.69,;4,1.93,;1.33,1.93,;,2.69,;-4,5,;-5.33,4.23,;-5.33,2.69,;-6.67,1.93,;2.67,-1.92,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(OC(F)(F)F)c2)n1 |r,wU:4.7,wD:1.0,(3.33,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;3.33,-2.69,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;6,-4.24,;7.34,-3.47,;2,-1.92,;-3.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cncc(Br)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(c2)C(F)(F)F)n1 |r,wU:4.7,wD:1.0,(4,1.93,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;2.67,-1.92,;5.33,-1.93,;6.67,-2.7,;5.33,-.39,;6.67,-1.16,;-2.67,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(O)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.92,;-2,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(F)cc2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;4.67,-2.69,;3.33,-1.92,;-2,-.38,)|
Cc1ccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)cc1 |r,wU:17.17,wD:20.21,(6,-5,;4.67,-4.23,;3.33,-5,;2,-4.23,;2,-2.69,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-3.33,1.93,;-2,2.69,;-2,4.23,;-.67,5,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;4.67,1.93,;2,1.93,;.67,2.69,;-3.33,5,;-4.67,4.23,;-4.67,2.69,;-6,1.92,;3.33,-1.92,;4.67,-2.69,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(cc2)C(F)(F)F)n1 |r,wU:4.7,wD:1.0,(4,2.69,;2.67,3.46,;2.67,5,;1.33,5.77,;,5,;,3.46,;1.33,2.69,;-1.33,5.77,;-2.67,5,;-2.67,3.46,;-4,2.69,;-5.33,3.46,;-6.67,2.69,;-5.33,5,;-4,5.77,;-4,1.15,;-5.33,.38,;-5.33,-1.16,;-4,-1.93,;-2.67,-1.16,;-1.33,-1.93,;,-1.16,;1.33,-1.93,;1.33,-3.47,;2.67,-4.24,;4,-3.47,;4,-1.93,;2.67,-1.15,;5.33,-4.23,;6.67,-3.46,;5.33,-5.77,;6.67,-5,;-2.67,.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(OC(F)F)cc2)n1 |r,wU:4.7,wD:1.0,(3.33,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;6,-4.23,;7.34,-5,;6,-2.69,;3.33,-2.69,;2,-1.92,;-3.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(OC(F)(F)F)cc2)n1 |r,wU:4.7,wD:1.0,(3.33,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;6,-4.23,;7.34,-5,;6,-2.69,;7.34,-3.47,;3.33,-2.69,;2,-1.92,;-3.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(Cl)cc2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;4.67,-2.69,;3.33,-1.92,;-2,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCCCC2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.92,;-2,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccccc2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.92,;-2,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccnc2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.92,;-2,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cncc(F)c2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.93,;-2,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccncc2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.93,;-2,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)ccc2F)n1 |r,wU:5.8,wD:2.1,(6,3.47,;4.67,2.69,;3.33,3.47,;3.33,5,;2,5.78,;.67,5,;.67,3.47,;2,2.7,;-.67,5.78,;-2,5,;-2,3.47,;-3.33,2.69,;-4.67,3.47,;-6,2.69,;-4.67,5,;-3.33,5.78,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;.67,-1.15,;2,-1.93,;2,-3.47,;3.33,-4.23,;3.33,-5.78,;4.67,-3.47,;4.67,-1.93,;3.33,-1.15,;3.33,.38,;-2,.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(Cl)c2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.93,;-2,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(F)c(F)c2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;4.67,-2.69,;6,-1.93,;3.33,-1.93,;-2,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(OC(F)F)c2)n1 |r,wU:5.8,wD:2.1,(4.67,2.69,;3.33,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;3.33,-2.69,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;6,-4.24,;2,-1.93,;-3.33,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)cc(F)c2)n1 |r,wU:5.8,wD:2.1,(6,3.47,;4.67,2.69,;3.33,3.47,;3.33,5,;2,5.78,;.67,5,;.67,3.47,;2,2.7,;-.67,5.78,;-2,5,;-2,3.47,;-3.33,2.69,;-4.67,3.47,;-6,2.69,;-4.67,5,;-3.33,5.78,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;.67,-1.15,;2,-1.93,;2,-3.47,;3.33,-4.23,;3.33,-5.78,;4.67,-3.47,;4.67,-1.93,;6,-1.15,;3.33,-1.15,;-2,.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(F)cc2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;4.67,-2.69,;3.33,-1.93,;-2,-.38,)|
CC(C)(C)OC(=O)N1CCC(CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
Clc1cnc(NC2CCNCC2)cc1-c1cccc(NCC2CCCCC2)n1
Clc1cnc(NC2CCNCC2)cc1-c1cccc(NCc2ccccc2)n1
Fc1cncc(CNc2cccc(n2)-c2cc(NC3CCNCC3)ncc2Cl)c1
Fc1cc(F)cc(CNc2cccc(n2)-c2cc(NC3CCNCC3)ncc2Cl)c1
Clc1cnc(NC2CCNCC2)cc1-c1cccc(NCc2ccncc2)n1
Clc1cccc(CNc2cccc(n2)-c2cc(NC3CCNCC3)ncc2Cl)c1
Fc1ccc(CNc2cccc(n2)-c2cc(NC3CCNCC3)ncc2Cl)cc1F
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCCCCC2)n1 |r,wU:4.7,wD:1.0,(4.98,2.02,;3.65,2.79,;3.65,4.33,;2.31,5.1,;.98,4.33,;.98,2.79,;2.31,2.02,;-.35,5.1,;-1.69,4.33,;-1.69,2.79,;-3.02,2.02,;-4.35,2.79,;-5.69,2.02,;-4.35,4.33,;-3.02,5.1,;-3.02,.48,;-4.35,-.29,;-4.35,-1.83,;-3.02,-2.6,;-1.69,-1.83,;-.35,-2.6,;.98,-1.83,;2.31,-2.6,;2.31,-4.14,;3.52,-5.1,;5.02,-4.76,;5.69,-3.37,;5.02,-1.98,;3.52,-1.64,;-1.69,-.29,)|
CN(Cc1ccccc1)c1cccc(n1)-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(,-4.23,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,)|
CN(Cc1cccc(F)c1)c1cccc(n1)-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:20.21,wD:23.25,(-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.93,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-3.33,1.93,;-2,2.69,;-2,4.23,;-.67,5,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;4.67,1.92,;2,1.93,;.67,2.69,;-3.33,5,;-4.67,4.23,;-4.67,2.69,;-6,1.93,)|
CCS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:9.12,wD:6.5,(6.67,5,;6.67,3.47,;5.33,2.69,;4.56,4.03,;6.1,1.36,;4,1.93,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.93,;2.67,-1.93,;-2.67,-.38,)|
CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:10.13,wD:7.6,(8,1.93,;6.67,1.15,;5.33,1.93,;6.1,3.26,;4.56,.59,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.93,;1.33,-1.93,;-4,-.38,)|
CN1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:12.16,5.6,wD:9.9,(7.72,3.73,;6.95,2.4,;7.85,1.15,;6.95,-.09,;5.48,.38,;5.48,1.93,;4.15,2.69,;4.15,4.23,;2.82,1.93,;1.48,2.69,;1.48,4.23,;.15,5,;-1.18,4.23,;-1.18,2.69,;.15,1.93,;-2.52,5,;-3.85,4.23,;-3.85,2.69,;-5.19,1.93,;-6.52,2.69,;-7.85,1.93,;-6.52,4.23,;-5.19,5,;-5.19,.38,;-6.52,-.38,;-6.52,-1.93,;-5.19,-2.69,;-3.85,-1.93,;-2.52,-2.69,;-1.18,-1.93,;.15,-2.69,;.15,-4.23,;1.48,-5,;2.82,-4.23,;2.82,-2.69,;4.15,-1.93,;1.48,-1.93,;-3.85,-.38,)|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@@H](CC3)NC(=O)c3cccnc3)ncc2Cl)c1 |r,wU:18.18,wD:21.25,(4,-1.93,;2.67,-2.69,;2.67,-4.23,;1.33,-5,;,-4.23,;,-2.69,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-5.33,.38,;-4,-.38,;-5.33,1.93,;-4,2.69,;-4,4.23,;-2.67,5,;-1.33,4.23,;,5,;1.33,4.23,;1.33,2.69,;,1.93,;-1.33,2.69,;2.67,1.93,;4,2.69,;4,4.23,;5.33,1.93,;5.33,.38,;6.67,-.38,;8,.38,;8,1.93,;6.67,2.7,;-5.33,5,;-6.67,4.23,;-6.67,2.69,;-8,1.93,;1.33,-1.92,)|
CN(C)CC(=O)NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:11.14,wD:8.7,(8,5,;6.67,4.23,;5.33,5,;6.67,2.69,;5.33,1.93,;5.33,.38,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.93,;1.33,-1.93,;-4,-.38,)|
CN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:13.17,wD:10.10,5.6,(7.99,.64,;7.22,1.97,;8.13,3.22,;7.22,4.46,;5.76,3.99,;5.76,2.45,;4.43,1.68,;4.43,.14,;3.09,2.45,;1.76,1.68,;.42,2.45,;.42,3.99,;-.91,4.76,;-2.24,3.99,;-2.24,2.45,;-.91,1.68,;-3.58,4.76,;-4.91,3.99,;-4.91,2.45,;-6.24,1.68,;-7.58,2.45,;-8.91,1.68,;-7.58,3.99,;-6.24,4.76,;-6.24,.14,;-7.58,-.63,;-7.58,-2.17,;-6.24,-2.94,;-4.91,-2.17,;-3.58,-2.94,;-2.24,-2.17,;-.91,-2.94,;-.91,-4.48,;.42,-5.25,;1.76,-4.48,;1.76,-2.94,;3.09,-2.17,;.42,-2.17,;-4.91,-.63,)|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](CNC(=O)c4cccnc4)CC3)ncc2Cl)c1 |r,wU:18.18,wD:21.22,(3.33,-1.93,;2,-2.69,;2,-4.23,;.67,-5,;-.67,-4.23,;-.67,-2.69,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-6,.38,;-4.67,-.38,;-6,1.93,;-4.67,2.69,;-4.67,4.23,;-3.33,5,;-2,4.23,;-.67,5,;.67,4.23,;.67,2.69,;2,1.93,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,2.69,;7.34,1.92,;8.67,2.69,;8.67,4.23,;7.34,5,;6,4.23,;-.67,1.93,;-2,2.69,;-6,5,;-7.34,4.23,;-7.34,2.69,;-8.67,1.93,;.67,-1.93,)|
CN(C)CC(=O)N1CCC(CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
CN1CCC[C@H]1C(=O)N1CCC(CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
Fc1cccc(CNc2cccc(n2)-c2cc(NC3CCN(CC3)C(=O)c3cccnc3)ncc2Cl)c1
CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:6.9,wD:3.2,(6.67,1.92,;5.33,2.69,;4,1.93,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.93,;2.67,-1.93,;-2.67,-.38,)|
Clc1cnc(N[C@@H]2CCCNC2)cc1-c1cccc(NCC2CCCCC2)n1 |r|
Clc1cnc(N[C@@H]2CCCNC2)cc1-c1cccc(NCC2CCOCC2)n1 |r|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@@H]3CCCNC3)ncc2Cl)c1 |r|
Fc1cc(F)cc(CNc2cccc(n2)-c2cc(N[C@@H]3CCCNC3)ncc2Cl)c1 |r|
Clc1cnc(N[C@@H]2CCCNC2)cc1-c1cccc(NCc2ccncc2)n1 |r|
Fc1ccc(CNc2cccc(n2)-c2cc(N[C@@H]3CCCNC3)ncc2Cl)cc1F |r|
Clc1cnc(N[C@H]2CCCNC2)cc1-c1cccc(NCC2CCCCC2)n1 |r|
Clc1cnc(N[C@H]2CCCNC2)cc1-c1cccc(NCC2CCOCC2)n1 |r|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CCCNC3)ncc2Cl)c1 |r|
Fc1cc(F)cc(CNc2cccc(n2)-c2cc(N[C@H]3CCCNC3)ncc2Cl)c1 |r|
Clc1cnc(N[C@H]2CCCNC2)cc1-c1cccc(NCc2ccncc2)n1 |r|
Fc1ccc(CNc2cccc(n2)-c2cc(N[C@H]3CCCNC3)ncc2Cl)cc1F |r|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.93,;-2,-.38,)|
CC(C)CN1CCC(CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
CN1CCC(CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@H]2CCCO2)n1 |r,wU:4.7,wD:22.23,1.0,(4.9,1.53,;3.57,2.3,;3.57,3.84,;2.23,4.61,;.9,3.84,;.9,2.3,;2.23,1.53,;-.43,4.61,;-1.77,3.84,;-1.77,2.3,;-3.1,1.53,;-4.43,2.3,;-5.77,1.53,;-4.43,3.84,;-3.1,4.61,;-3.1,-.01,;-4.43,-.78,;-4.43,-2.32,;-3.1,-3.09,;-1.77,-2.32,;-.43,-3.09,;.9,-2.32,;2.23,-3.09,;2.23,-4.63,;3.7,-5.11,;4.6,-3.86,;3.7,-2.62,;-1.77,-.78,)|
CCN(Cc1ccncc1)c1cccc(n1)-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:20.21,wD:23.25,(-1.33,-5,;,-4.23,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@@H]2CCCO2)n1 |r,wU:4.7,22.23,wD:1.0,(4.9,1.53,;3.57,2.3,;3.57,3.84,;2.23,4.61,;.9,3.84,;.9,2.3,;2.23,1.53,;-.43,4.61,;-1.77,3.84,;-1.77,2.3,;-3.1,1.53,;-4.43,2.3,;-5.77,1.53,;-4.43,3.84,;-3.1,4.61,;-3.1,-.01,;-4.43,-.78,;-4.43,-2.32,;-3.1,-3.09,;-1.77,-2.32,;-.43,-3.09,;.9,-2.32,;2.23,-3.09,;2.23,-4.63,;3.7,-5.11,;4.6,-3.86,;3.7,-2.62,;-1.77,-.78,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCCOC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(n1)N1CCC(CC1)c1ccccc1 |r,wU:4.7,wD:1.0,(4.67,3.08,;3.33,3.85,;3.33,5.39,;2,6.16,;.67,5.39,;.67,3.85,;2,3.08,;-.67,6.16,;-2,5.39,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-4.67,5.39,;-3.33,6.16,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-2,.77,;-.67,-1.54,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;3.33,-3.85,;3.33,-5.39,;4.67,-6.16,;6,-5.39,;6,-3.85,;4.67,-3.08,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2COCCO2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(OCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;3.33,-1.93,;-2,-.38,)|
CN(CC1CCOCC1)c1cccc(n1)-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(,-4.23,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cnc(N)nc2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;4.67,-2.69,;3.33,-1.93,;-2,-.38,)|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](CN4CCCCC4)CC3)ncc2Cl)c1 |r,wU:18.18,wD:21.22,(4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;2,-5,;.67,-4.23,;.67,-2.69,;-.67,-1.93,;-2,-2.69,;-3.33,-1.93,;-4.67,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-4.67,1.93,;-3.33,2.69,;-3.33,4.23,;-2,5,;-.67,4.23,;.67,5,;2,4.23,;2,2.69,;3.33,1.93,;4.67,2.69,;6,1.92,;7.34,2.69,;7.34,4.23,;6,5,;4.67,4.23,;.67,1.93,;-.67,2.69,;-4.67,5,;-6,4.23,;-6,2.69,;-7.34,1.93,;2,-1.93,)|
CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2cccc(NCc3cccc(F)c3)n2)CC1 |r,wU:9.12,wD:6.5,(8,5,;6.67,4.23,;6.67,2.69,;5.33,1.92,;4,2.69,;2.67,1.92,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.39,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;,-4.24,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;4,-1.92,;1.33,-1.93,;-4,-.39,;4,4.23,;5.33,5.01,)|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](CN4CCCC4)CC3)ncc2Cl)c1 |r,wU:18.18,wD:21.22,(4.82,-1.92,;3.48,-2.69,;3.48,-4.23,;2.15,-5,;.82,-4.23,;.82,-2.69,;-.52,-1.93,;-1.85,-2.69,;-3.19,-1.93,;-4.52,-2.69,;-5.85,-1.93,;-5.85,-.38,;-4.52,.38,;-3.19,-.38,;-4.52,1.93,;-3.19,2.69,;-3.19,4.23,;-1.85,5,;-.52,4.23,;.82,5,;2.15,4.23,;2.15,2.69,;3.48,1.93,;4.82,2.69,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,;.82,1.93,;-.52,2.69,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-7.19,1.93,;2.15,-1.93,)|
CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:7.10,wD:4.3,(6,-.38,;4.67,.38,;4.67,1.93,;6,2.69,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;-2,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;-2,-.38,)|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@@H](CC3)N3CCCCC3)ncc2Cl)c1 |r,wU:18.18,wD:21.25,(5.33,-1.92,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;1.33,-2.69,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-4,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;2.67,4.23,;2.67,2.69,;1.33,1.93,;,2.69,;4,1.93,;4,.38,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;-4,5,;-5.33,4.23,;-5.33,2.69,;-6.67,1.93,;2.67,-1.93,)|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)ncc2Cl)c1 |r,wU:18.18,wD:21.25,(5.33,-1.92,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;1.33,-2.69,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-4,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;2.67,4.23,;2.67,2.69,;1.33,1.93,;,2.69,;4,1.93,;4,.38,;5.33,-.39,;6.67,.38,;6.67,1.93,;5.33,2.69,;-4,5,;-5.33,4.23,;-5.33,2.69,;-6.67,1.93,;2.67,-1.93,)|
NCCNc1cccc(n1)-c1cc(N[C@H]2CC[C@H](O)CC2)ncc1Cl |r,wU:14.14,wD:17.18,(4,-3.08,;2.67,-3.85,;1.33,-3.08,;,-3.85,;-1.33,-3.08,;-2.67,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;4,1.54,;5.33,.77,;2.67,.77,;1.33,1.54,;-2.67,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,)|
NCCCNc1cccc(n1)-c1cc(N[C@H]2CC[C@H](O)CC2)ncc1Cl |r,wU:15.15,wD:18.19,(5.33,-3.85,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;,-3.85,;-1.33,-3.08,;-2.67,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;4,1.54,;5.33,.77,;2.67,.77,;1.33,1.54,;-2.67,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCNCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccnc2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@H]2CCCNC2)n1 |r,wU:4.7,wD:22.23,1.0,(4.97,1.68,;3.64,2.45,;3.64,3.99,;2.31,4.76,;.97,3.99,;.97,2.45,;2.31,1.68,;-.36,4.76,;-1.69,3.99,;-1.69,2.45,;-3.03,1.68,;-4.36,2.45,;-5.7,1.68,;-4.36,3.99,;-3.03,4.76,;-3.03,.14,;-4.36,-.63,;-4.36,-2.17,;-3.03,-2.94,;-1.69,-2.17,;-.36,-2.94,;.97,-2.17,;2.31,-2.94,;2.31,-4.48,;3.64,-5.25,;4.97,-4.48,;4.97,-2.94,;3.64,-2.17,;-1.69,-.63,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccncc2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@@H]2CCCNC2)n1 |r,wU:4.7,22.23,wD:1.0,(4.92,1.68,;3.59,2.45,;3.59,3.99,;2.25,4.76,;.92,3.99,;.92,2.45,;2.25,1.68,;-.42,4.76,;-1.75,3.99,;-1.75,2.45,;-3.08,1.68,;-4.42,2.45,;-5.75,1.68,;-4.42,3.99,;-3.08,4.76,;-3.08,.14,;-4.42,-.63,;-4.42,-2.17,;-3.08,-2.94,;-1.75,-2.17,;-.42,-2.94,;.92,-2.17,;2.25,-2.94,;2.25,-4.48,;3.59,-5.25,;4.92,-4.48,;4.92,-2.94,;3.59,-2.17,;-1.75,-.63,)|
CC(=O)NCCNc1cccc(n1)-c1cc(N[C@H]2CC[C@H](O)CC2)ncc1Cl |r,wU:17.17,wD:20.21,(6,-2.31,;4.67,-3.08,;4.67,-4.62,;3.33,-2.31,;2,-3.08,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-2,-.77,;-3.33,1.54,;-2,2.31,;-2,3.85,;-.67,4.62,;.67,3.85,;2,4.62,;3.33,3.85,;3.33,2.31,;4.67,1.54,;2,1.54,;.67,2.31,;-3.33,4.62,;-4.67,3.85,;-4.67,2.31,;-6,1.54,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@H]2CCCO2)n1 |r,wU:4.7,wD:22.23,1.0,(5.06,1.53,;3.73,2.3,;3.73,3.84,;2.4,4.61,;1.06,3.84,;1.06,2.3,;2.4,1.53,;-.27,4.61,;-1.6,3.84,;-1.6,2.3,;-2.94,1.53,;-4.27,2.3,;-5.61,1.53,;-4.27,3.84,;-2.94,4.61,;-2.94,-.01,;-4.27,-.78,;-4.27,-2.32,;-2.94,-3.09,;-1.6,-2.32,;-.27,-3.09,;1.06,-2.32,;2.4,-3.09,;2.4,-4.63,;3.86,-5.11,;4.77,-3.86,;3.86,-2.62,;-1.6,-.78,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@@H]2CCCO2)n1 |r,wU:4.7,22.23,wD:1.0,(5.01,1.53,;3.68,2.3,;3.68,3.84,;2.34,4.61,;1.01,3.84,;1.01,2.3,;2.34,1.53,;-.32,4.61,;-1.66,3.84,;-1.66,2.3,;-2.99,1.53,;-4.33,2.3,;-5.66,1.53,;-4.33,3.84,;-2.99,4.61,;-2.99,-.01,;-4.33,-.78,;-4.33,-2.32,;-2.99,-3.09,;-1.66,-2.32,;-.32,-3.09,;1.01,-2.32,;2.34,-3.09,;2.34,-4.63,;3.81,-5.11,;4.71,-3.86,;3.81,-2.62,;-1.66,-.78,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCCOC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.12,;4,1.89,;4,3.43,;2.67,4.2,;1.33,3.43,;1.33,1.89,;2.67,1.12,;,4.2,;-1.33,3.43,;-1.33,1.89,;-2.67,1.12,;-4,1.89,;-5.33,1.12,;-4,3.43,;-2.67,4.2,;-2.67,-.42,;-4,-1.19,;-4,-2.73,;-2.67,-3.5,;-1.33,-2.73,;,-3.5,;1.49,-3.11,;2.58,-4.2,;4.06,-3.8,;4.46,-2.31,;3.37,-1.22,;1.89,-1.62,;-1.33,-1.19,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(n1)N1CCC(O)CC1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;4,-5,;2.67,-2.69,;1.33,-1.93,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(n1)N1CCOCC1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.93,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCCCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)cc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,2.69,;3.33,3.47,;3.33,5,;2,5.78,;.67,5,;.67,3.47,;2,2.7,;-.67,5.78,;-2,5,;-2,3.47,;-3.33,2.69,;-4.67,3.47,;-6,2.69,;-4.67,5,;-3.33,5.78,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;.67,-1.15,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;-2,.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2ccc(F)cc2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;4.67,-2.69,;3.33,-1.93,;-2,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2COCCO2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
NCC1CCN(CC1)c1cccc(n1)-c1cc(N[C@H]2CC[C@H](O)CC2)ncc1Cl |r,wU:18.19,wD:21.23,(5.33,-4.23,;4,-5,;2.67,-4.23,;1.33,-5,;,-4.23,;,-2.69,;1.33,-1.93,;2.67,-2.69,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(C(N)=O)c(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.63,1.68,;3.3,2.45,;3.3,3.99,;1.96,4.76,;.63,3.99,;.63,2.45,;1.96,1.68,;-.7,4.76,;-2.04,3.99,;-2.04,2.45,;-3.37,1.68,;-4.7,2.45,;-6.04,1.68,;-4.7,3.99,;-3.37,4.76,;-3.37,.14,;-4.7,-.63,;-4.7,-2.17,;-3.37,-2.94,;-3.37,-4.48,;-4.7,-5.25,;-2.04,-5.25,;-2.04,-2.17,;-.7,-2.94,;.63,-2.17,;1.96,-2.94,;1.96,-4.48,;3.3,-5.25,;4.63,-4.48,;4.63,-2.94,;5.96,-2.17,;3.3,-2.17,;-2.04,-.63,)|
N[C@H]1CC[C@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:4.7,1.0,(4.67,1.93,;3.33,2.69,;2,1.93,;.67,2.69,;.67,4.23,;2,5,;3.33,4.23,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;-2,-.38,)|
Fc1cccc(CNc2cccc(n2)-c2cc(NC3CCCC3)ncc2Cl)c1
Fc1cccc(CNc2cccc(n2)-c2cc(NC3CCCCC3)ncc2Cl)c1
Fc1cccc(CNc2cccc(n2)-c2cc(NC3CCOCC3)ncc2Cl)c1
Fc1cccc(CNc2cccc(n2)-c2cc(NCC3CCOCC3)ncc2Cl)c1
NCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
NCCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
OCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
COCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@@H]3CCCOC3)ncc2Cl)c1 |r|
Fc1cccc(CNc2cccc(n2)-c2cc(NC3CCC(F)(F)CC3)ncc2Cl)c1
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CCCOC3)ncc2Cl)c1 |r|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@@H](CC3)N3CCCC3)ncc2Cl)c1 |r,wU:18.18,wD:21.25,(5.48,-1.92,;4.15,-2.69,;4.15,-4.23,;2.82,-5,;1.48,-4.23,;1.48,-2.69,;.15,-1.93,;-1.18,-2.69,;-2.52,-1.93,;-3.85,-2.69,;-5.19,-1.93,;-5.19,-.38,;-3.85,.38,;-2.52,-.38,;-3.85,1.93,;-2.52,2.69,;-2.52,4.23,;-1.18,5,;.15,4.23,;1.48,5,;2.82,4.23,;2.82,2.69,;1.48,1.93,;.15,2.69,;4.15,1.93,;4.15,.38,;5.61,-.09,;6.52,1.15,;5.61,2.4,;-3.85,5,;-5.19,4.23,;-5.19,2.69,;-6.52,1.93,;2.82,-1.93,)|
C[C@H]1C[C@H](CC[C@@H]1N)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
N[C@H]1CCCC[C@H]1Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
O[C@H]1CCCC[C@H]1Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
CCOC(=O)c1coc(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2cccc(NCc3cccc(F)c3)n2)n1 |r,wU:13.16,wD:10.9,(9.5,3.46,;8.73,4.8,;7.19,4.8,;6.42,3.46,;7.19,2.13,;4.88,3.46,;3.97,4.71,;2.51,4.23,;2.51,2.69,;1.17,1.93,;-.16,2.69,;-.16,4.23,;-1.49,5,;-2.83,4.23,;-2.83,2.69,;-1.49,1.93,;-4.16,5,;-5.5,4.23,;-5.5,2.69,;-6.83,1.93,;-8.16,2.69,;-9.5,1.93,;-8.16,4.23,;-6.83,5,;-6.83,.38,;-8.16,-.38,;-8.16,-1.93,;-6.83,-2.69,;-5.5,-1.93,;-4.16,-2.69,;-2.83,-1.93,;-1.49,-2.69,;-1.49,-4.23,;-.16,-5,;1.17,-4.23,;1.17,-2.69,;2.51,-1.92,;-.16,-1.93,;-5.5,-.38,;3.97,2.22,)|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@@H](CC3)Nc3cc(Cl)ncn3)ncc2Cl)c1 |r,wU:18.18,wD:21.25,(4,-1.92,;2.67,-2.7,;2.67,-4.24,;1.33,-5.01,;,-4.24,;,-2.7,;-1.33,-1.93,;-2.67,-2.7,;-4,-1.93,;-5.33,-2.7,;-6.67,-1.93,;-6.67,-.39,;-5.33,.38,;-4,-.39,;-5.33,1.92,;-4,2.69,;-4,4.23,;-2.67,5,;-1.33,4.23,;,5,;1.33,4.23,;1.33,2.69,;,1.93,;-1.33,2.69,;2.67,1.92,;4,2.69,;5.33,1.92,;6.67,2.69,;8,1.92,;6.67,4.23,;5.33,5.01,;4,4.23,;-5.33,5,;-6.67,4.23,;-6.67,2.69,;-8,1.92,;1.33,-1.93,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.92,;1.33,-1.93,;-4,-.38,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:10.14,wD:7.7,(7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;3.33,-2.69,;4.67,-1.92,;2,-1.93,;-3.33,-.38,)|
NCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
OCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
CN(C)CCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
Fc1cccc(CNc2cccc(n2)-c2cc(NCC3CCNCC3)ncc2Cl)c1
CN1CCC(CNc2cc(c(Cl)cn2)-c2cccc(NCc3cccc(F)c3)n2)CC1
Fc1cccc(CNc2cccc(n2)-c2cc(NCC3CCCNC3)ncc2Cl)c1
Fc1cccc(CNc2cccc(n2)-c2cc(NCC[C@H]3CCCNC3)ncc2Cl)c1 |r|
Fc1cccc(CNc2cccc(n2)-c2cc(NCC[C@@H]3CCCNC3)ncc2Cl)c1 |r|
Fc1cccc(CNc2cccc(n2)-c2cc(NCCN3CCNCC3)ncc2Cl)c1
N[C@H]1CC[C@H](CNc2cc(c(Cl)cn2)-c2cccc(NCc3cccc(F)c3)n2)CC1 |r,wU:4.4,wD:1.0,(6,6.16,;4.67,5.39,;3.33,6.16,;2,5.39,;2,3.85,;.67,3.08,;-.67,3.85,;-2,3.08,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-6,.77,;-4.67,3.08,;-3.33,3.85,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;6,-3.08,;3.33,-3.08,;-2,-1.54,;3.33,3.08,;4.67,3.85,)|
CN1CCN(CCNc2cc(c(Cl)cn2)-c2cccc(NCc3cccc(F)c3)n2)CC1
Fc1cccc(CNc2cccc(n2)-c2cc(NCCN3CCOCC3)ncc2Cl)c1
CC(C)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
CCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
Fc1cccc(CNc2cccc(n2)-c2cc(NCCC3CCOCC3)ncc2Cl)c1
Fc1cccc(CNc2cccc(n2)-c2cc(NCCc3cccnc3)ncc2Cl)c1
Fc1cccc(CNc2cccc(n2)-c2cc(NCC3CCCOC3)ncc2Cl)c1
Fc1cccc(CNc2cccc(n2)-c2cc(NCCc3ccncc3)ncc2Cl)c1
CNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
COc1cnc(N[C@H]2CC[C@H](N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1 |r,wU:7.6,wD:10.10,(-6.67,2.69,;-5.33,1.93,;-4,2.69,;-4,4.23,;-2.67,5,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.92,;4,-1.93,;-1.33,-.38,)|
OC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;-2,-.38,)|
O[C@H]1CC[C@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:4.7,1.0,(4.67,1.93,;3.33,2.69,;2,1.93,;.67,2.69,;.67,4.23,;2,5,;3.33,4.23,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;-2,-.38,)|
O[C@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
O[C@@H]1CC[C@@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
Fc1cccc(CNc2cccc(n2)-c2cc(NC3CCC=CC3)ncc2Cl)c1 |c:22|
OCCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
CC(C)(C)OC(=O)CNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
NCCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)cc(F)c2)n1
OCCCNc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)cc(F)c2)n1
COC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:6.9,wD:3.2,(6,-.38,;4.67,.38,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;-2,-.38,)|
N[C@@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)cc(F)c2)n1 |r,wU:8.11,wD:5.4,(8,2.69,;6.67,3.46,;5.33,2.69,;4,3.47,;2.67,2.69,;1.33,3.47,;1.33,5,;,5.78,;-1.33,5,;-1.33,3.47,;,2.7,;-2.67,5.78,;-4,5,;-4,3.47,;-5.33,2.69,;-6.67,3.47,;-8,2.69,;-6.67,5,;-5.33,5.78,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.16,;2.67,-1.93,;4,-1.15,;2.67,-3.47,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-4,.38,)|
CO[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;-2,-.38,)|
NCC(O)CNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
OC(=O)CNc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1
N[C@H]1CC[C@@H](CC1)Nc1cc(c(F)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:4.7,wD:1.0,(4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;-2,-.38,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cc(F)cc(F)c2)n1 |r,wU:6.9,wD:3.2,(6,3.46,;4.67,2.69,;4.67,1.15,;3.33,3.47,;3.33,5,;2,5.78,;.67,5,;.67,3.47,;2,2.7,;-.67,5.78,;-2,5,;-2,3.47,;-3.33,2.69,;-4.67,3.47,;-6,2.69,;-4.67,5,;-3.33,5.78,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;.67,-1.15,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;-2,.38,)|
COCCN(C)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:9.12,wD:6.5,(8,1.92,;6.67,2.69,;5.33,1.92,;4,2.69,;2.67,1.93,;2.67,.38,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.92,;1.33,-1.93,;-4,-.38,)|
OCCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.92,;1.33,-1.93,;-4,-.38,)|
OC(=O)[C@@H]1CC[C@@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
OC(=O)[C@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;-1.33,-.38,)|
CNC(=O)[C@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
CN(C)C(=O)[C@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
Clc1cnc(N[C@H]2CC[C@@H](CC2)NC(=O)OCc2ccccc2)cc1-c1cccc(NC[C@H]2CCCNC2)n1 |r,wU:6.5,wD:32.34,9.12,(-9.34,1.68,;-8,2.45,;-8,3.99,;-6.67,4.76,;-5.33,3.99,;-4,4.76,;-2.67,3.99,;-1.33,4.76,;,3.99,;,2.45,;-1.33,1.68,;-2.67,2.45,;1.33,1.68,;2.67,2.45,;2.67,3.99,;4,1.68,;5.33,2.45,;6.67,1.68,;6.67,.14,;8,-.63,;9.34,.14,;9.34,1.68,;8,2.45,;-5.33,2.45,;-6.67,1.68,;-6.67,.14,;-8,-.63,;-8,-2.17,;-6.67,-2.94,;-5.33,-2.17,;-4,-2.94,;-2.67,-2.17,;-1.33,-2.94,;-1.33,-4.48,;,-5.25,;1.33,-4.48,;1.33,-2.94,;,-2.17,;-5.33,-.63,)|
Clc1cnc(N[C@H]2CC[C@@H](CC2)NC(=O)OCc2ccccc2)cc1-c1cccc(NC[C@@H]2CCCNC2)n1 |r,wU:6.5,32.34,wD:9.12,(-9.34,1.68,;-8,2.45,;-8,3.99,;-6.67,4.76,;-5.33,3.99,;-4,4.76,;-2.67,3.99,;-1.33,4.76,;,3.99,;,2.45,;-1.33,1.68,;-2.67,2.45,;1.33,1.68,;2.67,2.45,;2.67,3.99,;4,1.68,;5.33,2.45,;6.67,1.68,;6.67,.14,;8,-.63,;9.34,.14,;9.34,1.68,;8,2.45,;-5.33,2.45,;-6.67,1.68,;-6.67,.14,;-8,-.63,;-8,-2.17,;-6.67,-2.94,;-5.33,-2.17,;-4,-2.94,;-2.67,-2.17,;-1.33,-2.94,;-1.33,-4.48,;,-5.25,;1.33,-4.48,;1.33,-2.94,;,-2.17,;-5.33,-.63,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-1.33,-.39,)|
CN1CCC(CNc2cc(c(Cl)cn2)-c2cncc(NCC3CCOCC3)n2)CC1
OCCNc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1
Cc1cnc(N[C@H]2CC[C@H](N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1 |r,wU:6.5,wD:9.9,(-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,5,;-2,4.23,;-.67,5,;.67,4.23,;2,5.01,;3.33,4.23,;3.33,2.69,;4.67,1.92,;2,1.92,;.67,2.69,;-2,2.69,;-3.33,1.92,;-3.33,.38,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;2,-2.7,;2,-4.24,;3.33,-5.01,;4.67,-4.24,;4.67,-2.7,;6,-1.93,;3.33,-1.92,;-2,-.39,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(N[C@@H]2CC22CCOCC2)n1 |r,wU:4.7,wD:21.22,1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-1.16,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;-1.33,-.39,)|
Fc1cccc(CNc2cccc(n2)-c2cc(N[C@@H]3CC[C@@H](C3)C(=O)N3CCCC3)ncc2Cl)c1 |r|
CNC(=O)[C@@H]1CC[C@@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
CC(=O)N1CCC[C@H](CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)C1 |r,wU:20.20,wD:7.7,23.24,(6.39,-2.94,;5.06,-2.17,;5.06,-.63,;3.72,-2.94,;3.72,-4.48,;2.39,-5.25,;1.06,-4.48,;1.06,-2.94,;-.28,-2.17,;-1.61,-2.94,;-2.94,-2.17,;-4.28,-2.94,;-5.61,-2.17,;-5.61,-.63,;-4.28,.14,;-2.94,-.63,;-4.28,1.68,;-2.94,2.45,;-2.94,3.99,;-1.61,4.76,;-.28,3.99,;1.06,4.76,;2.39,3.99,;2.39,2.45,;3.72,1.68,;1.06,1.68,;-.28,2.45,;-4.28,4.76,;-5.61,3.99,;-5.61,2.45,;-6.95,1.68,;2.39,-2.17,)|
CC(=O)N1CCC[C@H](CNc2cccc(n2)-c2ccnc(N[C@H]3CC[C@H](N)CC3)c2)C1 |r,wU:22.22,wD:7.7,25.26,(5.72,-2.94,;4.39,-2.17,;4.39,-.63,;3.06,-2.94,;3.06,-4.48,;1.72,-5.25,;.39,-4.48,;.39,-2.94,;-.94,-2.17,;-2.28,-2.94,;-3.61,-2.17,;-4.94,-2.94,;-6.28,-2.17,;-6.28,-.63,;-4.94,.14,;-3.61,-.63,;-4.94,1.68,;-6.28,2.45,;-6.28,3.99,;-4.94,4.76,;-3.61,3.99,;-2.28,4.76,;-.94,3.99,;.39,4.76,;1.72,3.99,;1.72,2.45,;3.06,1.68,;.39,1.68,;-.94,2.45,;-3.61,2.45,;1.72,-2.17,)|
CC(=O)N1CCC[C@@H](CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)C1 |r,wU:7.7,20.20,wD:23.24,(6.39,-2.94,;5.06,-2.17,;5.06,-.63,;3.72,-2.94,;3.72,-4.48,;2.39,-5.25,;1.06,-4.48,;1.06,-2.94,;-.28,-2.17,;-1.61,-2.94,;-2.94,-2.17,;-4.28,-2.94,;-5.61,-2.17,;-5.61,-.63,;-4.28,.14,;-2.94,-.63,;-4.28,1.68,;-2.94,2.45,;-2.94,3.99,;-1.61,4.76,;-.28,3.99,;1.06,4.76,;2.39,3.99,;2.39,2.45,;3.72,1.68,;1.06,1.68,;-.28,2.45,;-4.28,4.76,;-5.61,3.99,;-5.61,2.45,;-6.95,1.68,;2.39,-2.17,)|
CC(=O)N1CCC[C@@H](CNc2cccc(n2)-c2ccnc(N[C@H]3CC[C@H](N)CC3)c2)C1 |r,wU:7.7,22.22,wD:25.26,(5.72,-2.94,;4.39,-2.17,;4.39,-.63,;3.06,-2.94,;3.06,-4.48,;1.72,-5.25,;.39,-4.48,;.39,-2.94,;-.94,-2.17,;-2.28,-2.94,;-3.61,-2.17,;-4.94,-2.94,;-6.28,-2.17,;-6.28,-.63,;-4.94,.14,;-3.61,-.63,;-4.94,1.68,;-6.28,2.45,;-6.28,3.99,;-4.94,4.76,;-3.61,3.99,;-2.28,4.76,;-.94,3.99,;.39,4.76,;1.72,3.99,;1.72,2.45,;3.06,1.68,;.39,1.68,;-.94,2.45,;-3.61,2.45,;1.72,-2.17,)|
OC[C@@H]1CC[C@@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
OC[C@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cnc(Cl)c(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.24,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-1.33,-.39,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cnc(Cl)c(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.24,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-1.33,-.39,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)cnc1Cl |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-5.33,.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cnc(C(N)=O)c(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.24,;-1.33,-5.01,;-4,-5.01,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-1.33,-.39,)|
Clc1cnc(N[C@H]2CC[C@@H](CC2)N2CCCC2)cc1-c1cnc(Cl)c(NCC2CCOCC2)n1 |r,wU:6.5,wD:9.12,(-6.52,1.92,;-5.19,2.69,;-5.19,4.23,;-3.85,5,;-2.52,4.23,;-1.18,5,;.15,4.23,;1.48,5.01,;2.82,4.23,;2.82,2.69,;1.48,1.92,;.15,2.69,;4.15,1.92,;4.15,.38,;5.61,-.09,;6.52,1.15,;5.61,2.4,;-2.52,2.69,;-3.85,1.92,;-3.85,.38,;-5.19,-.39,;-5.19,-1.93,;-3.85,-2.7,;-3.85,-4.24,;-2.52,-1.93,;-1.18,-2.7,;.15,-1.93,;1.48,-2.7,;1.48,-4.24,;2.82,-5.01,;4.15,-4.24,;4.15,-2.7,;2.82,-1.92,;-2.52,-.39,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cnc(N)c(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.24,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-1.33,-.39,)|
Nc1ncc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@H](O)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(-2.67,-4.24,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-2.67,1.92,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5.01,;4,4.23,;4,2.69,;5.33,1.92,;2.67,1.92,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.92,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCCOC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-1.33,-.39,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCCOC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-1.33,-.39,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCS(=O)(=O)CC2)n1 |r,wU:4.7,wD:1.0,(4.67,2.31,;3.33,3.08,;3.33,4.62,;2,5.39,;.67,4.62,;.67,3.08,;2,2.31,;-.67,5.39,;-2,4.62,;-2,3.08,;-3.33,2.31,;-4.67,3.08,;-6,2.31,;-4.67,4.62,;-3.33,5.39,;-3.33,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;.67,-1.54,;2,-2.31,;2,-3.85,;3.33,-4.62,;4.67,-3.85,;6,-3.08,;4.67,-5.39,;4.67,-2.31,;3.33,-1.54,;-2,,)|
Cc1ncc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(-2.67,-4.24,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-2.67,1.92,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5.01,;4,4.23,;4,2.69,;5.33,1.92,;2.67,1.92,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.92,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1nc(NCC2CCOCC2)cnc1Cl |r,wU:4.7,wD:1.0,(5.33,1.92,;4,2.69,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.69,;2.67,1.92,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-5.33,.38,)|
Cc1ncc(NCC2CCOCC2)nc1-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(-5.33,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.92,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5.01,;4,4.23,;4,2.69,;5.33,1.92,;2.67,1.92,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.92,)|
NC[C@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
CNC[C@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
CCNC[C@H]1CC[C@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
NC[C@@H]1CC[C@@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
CNC[C@@H]1CC[C@@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
CCNC[C@@H]1CC[C@@H](C1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |r|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cnc(C2CC2)c(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,2.21,;4,2.98,;4,4.52,;2.67,5.29,;1.33,4.52,;1.33,2.98,;2.67,2.21,;,5.29,;-1.33,4.52,;-1.33,2.98,;-2.67,2.21,;-4,2.98,;-5.33,2.21,;-4,4.52,;-2.67,5.29,;-2.67,.67,;-4,-.1,;-4,-1.64,;-2.67,-2.41,;-2.67,-3.95,;-3.44,-5.29,;-1.9,-5.29,;-1.33,-1.64,;,-2.41,;1.33,-1.64,;2.67,-2.41,;2.67,-3.95,;4,-4.72,;5.33,-3.95,;5.33,-2.41,;4,-1.64,;-1.33,-.1,)|
CCc1ncc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:20.21,wD:23.25,(-1.33,-5,;-2.67,-4.23,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,)|
OC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.92,;-2,-.38,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.7,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1 |r,wU:7.10,wD:4.3,(6.67,1.93,;5.33,2.7,;5.33,4.24,;4,1.93,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;2.67,-1.92,;-2.67,-.38,)|
CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(6.67,3.47,;5.33,2.69,;4.56,4.03,;6.1,1.36,;4,1.93,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;2.67,-1.92,;-2.67,-.38,)|
NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1 |r,wU:5.8,wD:2.1,(6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;2,5,;.67,4.23,;.67,2.69,;2,1.93,;-.67,5,;-2,4.23,;-2,2.69,;-3.33,1.93,;-4.67,2.69,;-6,1.93,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.92,;-2,-.38,)|
CC(=O)NC[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(6,.38,;6,1.92,;7.34,2.69,;4.67,2.69,;3.33,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;3.33,-2.69,;2,-1.92,;-3.33,-.38,)|
CN(CC1CCOCC1)c1cncc(n1)-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(,-4.23,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,)|
CN(CC1CCOCC1)c1cncc(n1)-c1cc(N[C@H]2CC[C@H](CN)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.92,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-3.33,1.93,;-2,2.69,;-2,4.23,;-.67,5,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;4.67,1.93,;6,2.69,;2,1.93,;.67,2.69,;-3.33,5,;-4.67,4.23,;-4.67,2.69,;-6,1.93,)|
CN(CC1CCOCC1)c1cncc(n1)-c1cc(N[C@H]2CC[C@H](O)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(,-4.23,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,)|
CN(CC1CCOCC1)c1cncc(n1)-c1cc(N[C@H]2CC[C@H](CO)CC2)ncc1Cl |r,wU:19.20,wD:22.24,(-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.92,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-3.33,1.93,;-2,2.69,;-2,4.23,;-.67,5,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;4.67,1.93,;6,2.69,;2,1.93,;.67,2.69,;-3.33,5,;-4.67,4.23,;-4.67,2.69,;-6,1.93,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(n1)N(C)CC1CCOCC1 |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-2.67,-4.23,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,.38,)|
CS(=O)(=O)CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:10.13,wD:7.6,(8,3.46,;6.67,2.69,;5.9,4.03,;7.44,1.36,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-8,.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)cnc1C(F)(F)F |r,wU:4.7,wD:1.0,(6,1.93,;4.67,2.69,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;3.33,1.93,;.67,5,;-.67,4.23,;-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-3.33,4.23,;-2,5,;-2,.38,;-.67,-.38,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;3.33,-4.23,;4.67,-5,;6,-4.23,;6,-2.69,;4.67,-1.92,;-2,-2.69,;-3.33,-1.93,;-3.33,-.38,;-4.67,.38,;-6,1.15,;-3.9,1.72,;-5.44,-.95,)|
CC1(C)C[C@H](CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)CCO1 |r,wU:17.17,4.4,wD:20.21,(5.58,-1.36,;4.54,-2.94,;5.88,-2.17,;3.21,-2.17,;1.87,-2.94,;.54,-2.17,;-.79,-2.94,;-2.13,-2.17,;-3.46,-2.94,;-4.79,-2.17,;-4.79,-.63,;-3.46,.14,;-2.13,-.63,;-3.46,1.68,;-2.13,2.45,;-2.13,3.99,;-.79,4.76,;.54,3.99,;1.87,4.76,;3.21,3.99,;3.21,2.45,;4.54,1.68,;1.87,1.68,;.54,2.45,;-3.46,4.76,;-4.79,3.99,;-4.79,2.45,;-6.13,1.68,;1.87,-4.48,;3.21,-5.25,;4.54,-4.48,)|
CC1(C)C[C@@H](CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)CCO1 |r,wU:17.17,wD:4.4,20.21,(5.41,-1.41,;4.48,-2.94,;5.81,-2.17,;3.14,-2.17,;1.81,-2.94,;.48,-2.17,;-.86,-2.94,;-2.19,-2.17,;-3.52,-2.94,;-4.86,-2.17,;-4.86,-.63,;-3.52,.14,;-2.19,-.63,;-3.52,1.68,;-2.19,2.45,;-2.19,3.99,;-.86,4.76,;.48,3.99,;1.81,4.76,;3.14,3.99,;3.14,2.45,;4.48,1.68,;1.81,1.68,;.48,2.45,;-3.52,4.76,;-4.86,3.99,;-4.86,2.45,;-6.19,1.68,;1.81,-4.48,;3.14,-5.25,;4.48,-4.48,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.7,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-8,.38,)|
OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:7.10,wD:4.3,(7.34,2.7,;6,1.93,;4.67,2.69,;3.33,1.93,;2,2.69,;2,4.23,;.67,5,;-.67,4.23,;-.67,2.69,;.67,1.93,;-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-7.34,1.93,;-6,4.23,;-4.67,5,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;3.33,-2.69,;2,-1.92,;-4.67,-2.69,;-6,-1.93,;-6,-.38,;-7.34,.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(F)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NC[C@H]2CCCOC2)n1 |r,wU:4.7,wD:22.23,1.0,(4.74,1.68,;3.4,2.45,;3.4,3.99,;2.07,4.76,;.73,3.99,;.73,2.45,;2.07,1.68,;-.6,4.76,;-1.93,3.99,;-1.93,2.45,;-3.27,1.68,;-4.6,2.45,;-5.93,1.68,;-4.6,3.99,;-3.27,4.76,;-3.27,.14,;-4.6,-.63,;-4.6,-2.17,;-3.27,-2.94,;-1.93,-2.17,;-.6,-2.94,;.73,-2.17,;2.07,-2.94,;2.07,-4.48,;3.4,-5.25,;4.74,-4.48,;4.74,-2.94,;3.4,-2.17,;-1.93,-.63,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NC[C@@H]2CCCOC2)n1 |r,wU:4.7,22.23,wD:1.0,(4.74,1.68,;3.4,2.45,;3.4,3.99,;2.07,4.76,;.73,3.99,;.73,2.45,;2.07,1.68,;-.6,4.76,;-1.93,3.99,;-1.93,2.45,;-3.27,1.68,;-4.6,2.45,;-5.93,1.68,;-4.6,3.99,;-3.27,4.76,;-3.27,.14,;-4.6,-.63,;-4.6,-2.17,;-3.27,-2.94,;-1.93,-2.17,;-.6,-2.94,;.73,-2.17,;2.07,-2.94,;2.07,-4.48,;3.4,-5.25,;4.74,-4.48,;4.74,-2.94,;3.4,-2.17,;-1.93,-.63,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NC[C@H]2CCCOC2)n1 |r,wU:4.7,wD:22.23,1.0,(4.74,1.68,;3.4,2.45,;3.4,3.99,;2.07,4.76,;.73,3.99,;.73,2.45,;2.07,1.68,;-.6,4.76,;-1.93,3.99,;-1.93,2.45,;-3.27,1.68,;-4.6,2.45,;-5.93,1.68,;-4.6,3.99,;-3.27,4.76,;-3.27,.14,;-4.6,-.63,;-4.6,-2.17,;-3.27,-2.94,;-1.93,-2.17,;-.6,-2.94,;.73,-2.17,;2.07,-2.94,;2.07,-4.48,;3.4,-5.25,;4.74,-4.48,;4.74,-2.94,;3.4,-2.17,;-1.93,-.63,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cncc(NC[C@@H]2CCCOC2)n1 |r,wU:4.7,22.23,wD:1.0,(4.74,1.68,;3.4,2.45,;3.4,3.99,;2.07,4.76,;.73,3.99,;.73,2.45,;2.07,1.68,;-.6,4.76,;-1.93,3.99,;-1.93,2.45,;-3.27,1.68,;-4.6,2.45,;-5.93,1.68,;-4.6,3.99,;-3.27,4.76,;-3.27,.14,;-4.6,-.63,;-4.6,-2.17,;-3.27,-2.94,;-1.93,-2.17,;-.6,-2.94,;.73,-2.17,;2.07,-2.94,;2.07,-4.48,;3.4,-5.25,;4.74,-4.48,;4.74,-2.94,;3.4,-2.17,;-1.93,-.63,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,.38,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)c(Cl)cc1Cl |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,-2.69,;-2.67,-4.23,;-4,-1.93,;-4,-.38,;-5.33,.38,)|
O[C@H]1CC[C@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:4.7,1.0,(5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;2.67,5,;4,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,.38,)|
Clc1ccc(NCC2CCCOC2)nc1-c1cc(N[C@H]2CC[C@@H](CC2)NC[C@H]2CCCO2)ncc1Cl |r,wU:19.20,wD:22.27,27.29,(-8.01,.14,;-6.68,-.63,;-6.68,-2.17,;-5.34,-2.94,;-4.01,-2.17,;-2.67,-2.94,;-1.34,-2.17,;-.01,-2.94,;-.01,-4.48,;1.33,-5.25,;2.66,-4.48,;2.66,-2.94,;1.33,-2.17,;-4.01,-.63,;-5.34,.14,;-5.34,1.68,;-4.01,2.45,;-4.01,3.99,;-2.67,4.76,;-1.34,3.99,;-.01,4.76,;1.33,3.99,;1.33,2.45,;-.01,1.68,;-1.34,2.45,;2.66,1.68,;3.99,2.45,;5.33,1.68,;5.33,.14,;6.79,-.34,;7.7,.91,;6.79,2.15,;-5.34,4.76,;-6.68,3.99,;-6.68,2.45,;-8.01,1.68,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
Clc1ccc(NCC2CCOCC2)nc1-c1cc(N[C@H]2CC[C@@H](CC2)NC[C@@H]2CCCO2)ncc1Cl |r,wU:19.20,27.29,wD:22.27,(-8.05,.14,;-6.72,-.63,;-6.72,-2.17,;-5.38,-2.94,;-4.05,-2.17,;-2.71,-2.94,;-1.38,-2.17,;-.05,-2.94,;-.05,-4.48,;1.29,-5.25,;2.62,-4.48,;2.62,-2.94,;1.29,-2.17,;-4.05,-.63,;-5.38,.14,;-5.38,1.68,;-4.05,2.45,;-4.05,3.99,;-2.71,4.76,;-1.38,3.99,;-.05,4.76,;1.29,3.99,;1.29,2.45,;-.05,1.68,;-1.38,2.45,;2.62,1.68,;3.95,2.45,;5.29,1.68,;5.29,.14,;6.75,-.34,;7.66,.91,;6.75,2.15,;-5.38,4.76,;-6.72,3.99,;-6.72,2.45,;-8.05,1.68,)|
Clc1cnc(N[C@H]2CC[C@@H](CC2)NCC2COCCO2)cc1-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:6.5,wD:9.12,(-8,1.93,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-4,4.23,;-2.67,5,;-1.33,4.23,;,5,;1.33,4.23,;1.33,2.69,;,1.93,;-1.33,2.69,;2.67,1.93,;4,2.7,;5.33,1.93,;5.33,.39,;6.67,-.38,;8,.39,;8,1.93,;6.67,2.7,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-8,.38,)|
COCCN(C)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:9.12,wD:6.5,(8,1.93,;6.67,2.7,;5.33,1.93,;4,2.7,;2.67,1.93,;2.67,.38,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-8,.38,)|
Clc1ccc(NCC2CCOCC2)nc1-c1ccnc(N[C@H]2CC[C@@H](CC2)NC[C@H]2CCCO2)c1 |r,wU:21.22,wD:24.29,29.31,(-7.85,.14,;-6.52,-.63,;-6.52,-2.17,;-5.19,-2.94,;-3.85,-2.17,;-2.52,-2.94,;-1.18,-2.17,;.15,-2.94,;.15,-4.48,;1.48,-5.25,;2.82,-4.48,;2.82,-2.94,;1.48,-2.17,;-3.85,-.63,;-5.19,.14,;-5.19,1.68,;-6.52,2.45,;-6.52,3.99,;-5.19,4.76,;-3.85,3.99,;-2.52,4.76,;-1.18,3.99,;.15,4.76,;1.48,3.99,;1.48,2.45,;.15,1.68,;-1.18,2.45,;2.82,1.68,;4.15,2.45,;5.48,1.68,;5.48,.14,;6.95,-.34,;7.85,.91,;6.95,2.15,;-3.85,2.45,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-8,.38,)|
O[C@H]1CC[C@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1 |r,wU:4.7,1.0,(5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;2.67,5,;4,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.7,;5.33,1.93,;4,2.7,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
Clc1cnc(N[C@H]2CC[C@@H](CC2)NC[C@H]2CCCO2)cc1-c1cccc(NCC2CCOCC2)n1 |r,wU:6.5,wD:9.12,14.14,(-7.99,1.68,;-6.65,2.45,;-6.65,3.99,;-5.32,4.76,;-3.99,3.99,;-2.65,4.76,;-1.32,3.99,;.01,4.76,;1.35,3.99,;1.35,2.45,;.01,1.68,;-1.32,2.45,;2.68,1.68,;4.02,2.45,;5.35,1.68,;5.35,.14,;6.81,-.34,;7.72,.91,;6.81,2.15,;-3.99,2.45,;-5.32,1.68,;-5.32,.14,;-6.65,-.63,;-6.65,-2.17,;-5.32,-2.94,;-3.99,-2.17,;-2.65,-2.94,;-1.32,-2.17,;.01,-2.94,;.01,-4.48,;1.35,-5.25,;2.68,-4.48,;2.68,-2.94,;1.35,-2.17,;-3.99,-.63,)|
Clc1cnc(N[C@H]2CC[C@@H](CC2)NC[C@@H]2CCCO2)cc1-c1cccc(NCC2CCOCC2)n1 |r,wU:6.5,14.14,wD:9.12,(-7.95,1.68,;-6.62,2.45,;-6.62,3.99,;-5.28,4.76,;-3.95,3.99,;-2.62,4.76,;-1.28,3.99,;.05,4.76,;1.38,3.99,;1.38,2.45,;.05,1.68,;-1.28,2.45,;2.72,1.68,;4.05,2.45,;5.39,1.68,;5.39,.14,;6.85,-.34,;7.76,.91,;6.85,2.15,;-3.95,2.45,;-5.28,1.68,;-5.28,.14,;-6.62,-.63,;-6.62,-2.17,;-5.28,-2.94,;-3.95,-2.17,;-2.62,-2.94,;-1.28,-2.17,;.05,-2.94,;.05,-4.48,;1.38,-5.25,;2.72,-4.48,;2.72,-2.94,;1.38,-2.17,;-3.95,-.63,)|
COCCN(C)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1 |r,wU:9.12,wD:6.5,(8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;2.67,.38,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
Clc1cnc(N[C@H]2CC[C@@H](CC2)NC2CCOC2)cc1-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:6.5,wD:9.12,(-7.19,1.93,;-5.85,2.69,;-5.85,4.23,;-4.52,5,;-3.19,4.23,;-1.85,5,;-.52,4.23,;.82,5,;2.15,4.23,;2.15,2.69,;.82,1.93,;-.52,2.69,;3.48,1.93,;4.82,2.69,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,;-3.19,2.69,;-4.52,1.93,;-4.52,.38,;-3.19,-.38,;-3.19,-1.93,;-1.85,-2.69,;-.52,-1.93,;.82,-2.69,;.82,-4.23,;2.15,-5,;3.48,-4.23,;3.48,-2.69,;2.15,-1.92,;-4.52,-2.69,;-5.85,-1.93,;-5.85,-.38,;-7.19,.38,)|
Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NC2COC2)ncc1Cl |r,wU:19.20,wD:22.27,(-4.28,-4.23,;-4.28,-2.69,;-5.61,-1.93,;-5.61,-.38,;-4.28,.38,;-2.94,-.38,;-2.94,-1.93,;-1.61,-2.69,;-.28,-1.93,;1.06,-2.69,;1.06,-4.23,;2.39,-5,;3.72,-4.23,;3.72,-2.69,;2.39,-1.92,;-4.28,1.93,;-2.94,2.69,;-2.94,4.23,;-1.61,5,;-.28,4.23,;1.06,5,;2.39,4.23,;2.39,2.69,;1.06,1.93,;-.28,2.69,;3.72,1.93,;5.06,2.7,;6.55,2.3,;6.94,3.78,;5.46,4.18,;-4.28,5,;-5.61,4.23,;-5.61,2.69,;-6.94,1.93,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1F |r,wU:4.7,wD:1.0,(4.74,1.68,;3.4,2.45,;3.4,3.99,;2.07,4.76,;.73,3.99,;.73,2.45,;2.07,1.68,;-.6,4.76,;-1.93,3.99,;-1.93,2.45,;-3.27,1.68,;-4.6,2.45,;-5.93,1.68,;-4.6,3.99,;-3.27,4.76,;-3.27,.14,;-1.93,-.63,;-1.93,-2.17,;-.6,-2.94,;.73,-2.17,;2.07,-2.94,;2.07,-4.48,;3.4,-5.25,;4.74,-4.48,;4.74,-2.94,;3.4,-2.17,;-3.27,-2.94,;-4.6,-2.17,;-4.6,-.63,;-5.93,.14,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1F |r,wU:8.11,wD:5.4,(7.64,1.68,;6.3,2.45,;4.97,1.68,;3.63,2.45,;2.3,1.68,;.97,2.45,;.97,3.99,;-.37,4.76,;-1.7,3.99,;-1.7,2.45,;-.37,1.68,;-3.03,4.76,;-4.37,3.99,;-4.37,2.45,;-5.7,1.68,;-7.04,2.45,;-8.37,1.68,;-7.04,3.99,;-5.7,4.76,;-5.7,.14,;-4.37,-.63,;-4.37,-2.17,;-3.03,-2.94,;-1.7,-2.17,;-.37,-2.94,;-.37,-4.48,;.97,-5.25,;2.3,-4.48,;2.3,-2.94,;.97,-2.17,;-5.7,-2.94,;-7.04,-2.17,;-7.04,-.63,;-8.37,.14,)|
C[C@H]1CC(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)C[C@@H](C)O1 |r,wU:16.16,1.0,28.31,wD:19.20,(3.33,-6.44,;3.33,-4.9,;2,-4.13,;2,-2.59,;.67,-1.82,;-.67,-2.59,;-2,-1.82,;-3.33,-2.59,;-4.67,-1.82,;-4.67,-.28,;-3.33,.49,;-2,-.28,;-3.33,2.03,;-2,2.8,;-2,4.34,;-.67,5.11,;.87,5.11,;1.64,6.44,;3.18,6.44,;3.95,5.11,;5.49,5.11,;3.18,3.77,;1.64,3.77,;-3.33,5.11,;-4.67,4.34,;-4.67,2.8,;-6,2.03,;3.33,-1.82,;4.67,-2.59,;6,-1.82,;4.67,-4.13,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2C[C@H](C)O[C@H](C)C2)n1 |r,wU:8.11,28.30,31.33,wD:5.4,(8.06,2.44,;6.52,2.44,;5.75,3.77,;4.21,3.77,;3.44,5.11,;1.9,5.11,;1.13,6.44,;-.41,6.44,;-1.18,5.11,;-.41,3.77,;1.13,3.77,;-2.72,5.11,;-4.06,4.34,;-4.06,2.8,;-5.39,2.03,;-6.72,2.8,;-8.06,2.03,;-6.72,4.34,;-5.39,5.11,;-5.39,.49,;-6.72,-.28,;-6.72,-1.82,;-5.39,-2.59,;-4.06,-1.82,;-2.72,-2.59,;-1.39,-1.82,;-.06,-2.59,;-.06,-4.13,;1.28,-4.9,;1.28,-6.44,;2.61,-4.13,;2.61,-2.59,;3.95,-1.82,;1.28,-1.82,;-4.06,-.28,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Br |r,wU:4.7,wD:1.0,(4.82,1.68,;3.49,2.45,;3.49,3.99,;2.16,4.76,;.82,3.99,;.82,2.45,;2.16,1.68,;-.51,4.76,;-1.84,3.99,;-1.84,2.45,;-3.18,1.68,;-4.51,2.45,;-5.84,1.68,;-4.51,3.99,;-3.18,4.76,;-3.18,.14,;-1.84,-.63,;-1.84,-2.17,;-.51,-2.94,;.82,-2.17,;2.16,-2.94,;2.16,-4.48,;3.49,-5.25,;4.82,-4.48,;4.82,-2.94,;3.49,-2.17,;-3.18,-2.94,;-4.51,-2.17,;-4.51,-.63,;-5.84,.14,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1 |r,wU:9.12,wD:6.5,3.3,(7.54,1.68,;6.21,2.45,;4.88,1.68,;3.54,2.45,;3.54,3.99,;2.21,1.68,;.88,2.45,;.88,3.99,;-.46,4.76,;-1.79,3.99,;-1.79,2.45,;-.46,1.68,;-3.12,4.76,;-4.46,3.99,;-4.46,2.45,;-5.79,1.68,;-7.13,2.45,;-8.46,1.68,;-7.13,3.99,;-5.79,4.76,;-5.79,.14,;-7.13,-.63,;-7.13,-2.17,;-5.79,-2.94,;-4.46,-2.17,;-3.12,-2.94,;-1.79,-2.17,;-.46,-2.94,;-.46,-4.48,;.88,-5.25,;2.21,-4.48,;2.21,-2.94,;.88,-2.17,;-4.46,-.63,)|
O[C@H](CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1)C(F)(F)F |r,wU:7.10,1.0,wD:4.3,(6.94,2.45,;5.61,1.68,;4.27,2.45,;2.94,1.68,;1.61,2.45,;1.61,3.99,;.27,4.76,;-1.06,3.99,;-1.06,2.45,;.27,1.68,;-2.39,4.76,;-3.73,3.99,;-3.73,2.45,;-5.06,1.68,;-6.4,2.45,;-7.73,1.68,;-6.4,3.99,;-5.06,4.76,;-5.06,.14,;-6.4,-.63,;-6.4,-2.17,;-5.06,-2.94,;-3.73,-2.17,;-2.39,-2.94,;-1.06,-2.17,;.27,-2.94,;.27,-4.48,;1.61,-5.25,;2.94,-4.48,;2.94,-2.94,;1.61,-2.17,;-3.73,-.63,;5.61,.14,;6.94,-.63,;4.27,-.63,;4.84,-1.2,)|
O[C@@H](CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1)C(F)(F)F |r,wU:7.10,wD:4.3,1.0,(7.07,2.45,;5.73,1.68,;4.4,2.45,;3.07,1.68,;1.73,2.45,;1.73,3.99,;.4,4.76,;-.93,3.99,;-.93,2.45,;.4,1.68,;-2.27,4.76,;-3.6,3.99,;-3.6,2.45,;-4.94,1.68,;-6.27,2.45,;-7.6,1.68,;-6.27,3.99,;-4.94,4.76,;-4.94,.14,;-6.27,-.63,;-6.27,-2.17,;-4.94,-2.94,;-3.6,-2.17,;-2.27,-2.94,;-.93,-2.17,;.4,-2.94,;.4,-4.48,;1.73,-5.25,;3.07,-4.48,;3.07,-2.94,;1.73,-2.17,;-3.6,-.63,;5.73,.14,;7.07,-.63,;4.4,-.63,;4.96,-1.2,)|
O[C@@H](CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl)C(F)(F)F |r,wU:7.10,wD:4.3,1.0,(7.07,2.45,;5.73,1.68,;4.4,2.45,;3.07,1.68,;1.73,2.45,;1.73,3.99,;.4,4.76,;-.93,3.99,;-.93,2.45,;.4,1.68,;-2.27,4.76,;-3.6,3.99,;-3.6,2.45,;-4.94,1.68,;-6.27,2.45,;-7.6,1.68,;-6.27,3.99,;-4.94,4.76,;-4.94,.14,;-3.6,-.63,;-3.6,-2.17,;-2.27,-2.94,;-.93,-2.17,;.4,-2.94,;.4,-4.48,;1.73,-5.25,;3.07,-4.48,;3.07,-2.94,;1.73,-2.17,;-4.94,-2.94,;-6.27,-2.17,;-6.27,-.63,;-7.6,.14,;5.73,.14,;7.07,-.63,;4.4,-.63,;4.96,-1.2,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Br |r,wU:8.11,wD:5.4,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1F |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-5.77,-4.48,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-4.44,-.63,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:4.7,wD:1.0,(5.01,1.68,;3.67,2.45,;3.67,3.99,;2.34,4.76,;1.01,3.99,;1.01,2.45,;2.34,1.68,;-.33,4.76,;-1.66,3.99,;-1.66,2.45,;-2.99,1.68,;-4.33,2.45,;-5.66,1.68,;-4.33,3.99,;-2.99,4.76,;-2.99,.14,;-1.66,-.63,;-1.66,-2.17,;-.33,-2.94,;1.01,-2.17,;2.34,-2.94,;2.34,-4.48,;3.67,-5.25,;5.01,-4.48,;5.01,-2.94,;3.67,-2.17,;-2.99,-2.94,;-4.33,-2.17,;-4.33,-.63,;-5.66,.14,)|
CC1(C)CC(CNc2ccc(Cl)c(n2)-c2cc(N[C@H]3CC[C@H](O)CC3)ncc2Cl)CCO1 |r,wU:18.18,wD:21.22,(5.7,-2.94,;4.16,-2.94,;4.93,-1.61,;2.83,-2.17,;1.49,-2.94,;.16,-2.17,;-1.17,-2.94,;-2.51,-2.17,;-3.84,-2.94,;-5.17,-2.17,;-5.17,-.63,;-6.51,.14,;-3.84,.14,;-2.51,-.63,;-3.84,1.68,;-2.51,2.45,;-2.51,3.99,;-1.17,4.76,;.16,3.99,;1.49,4.76,;2.83,3.99,;2.83,2.45,;4.16,1.68,;1.49,1.68,;.16,2.45,;-3.84,4.76,;-5.17,3.99,;-5.17,2.45,;-6.51,1.68,;1.49,-4.48,;2.83,-5.25,;4.16,-4.48,)|
CC1(C)CC(CNc2ccc(Cl)c(n2)-c2cc(N[C@H]3CC[C@@H](CC3)NC[C@H](O)C(F)(F)F)ncc2Cl)CCO1 |r,wU:18.18,wD:21.25,26.28,(4.57,-2.94,;3.03,-2.94,;3.8,-1.61,;1.7,-2.17,;.36,-2.94,;-.97,-2.17,;-2.3,-2.94,;-3.64,-2.17,;-4.97,-2.94,;-6.31,-2.17,;-6.31,-.63,;-7.64,.14,;-4.97,.14,;-3.64,-.63,;-4.97,1.68,;-3.64,2.45,;-3.64,3.99,;-2.3,4.76,;-.97,3.99,;.36,4.76,;1.7,3.99,;1.7,2.45,;.36,1.68,;-.97,2.45,;3.03,1.68,;4.36,2.45,;5.7,1.68,;7.03,2.45,;5.7,.14,;7.03,-.63,;4.36,-.63,;4.93,-1.2,;-4.97,4.76,;-6.31,3.99,;-6.31,2.45,;-7.64,1.68,;.36,-4.48,;1.7,-5.25,;3.03,-4.48,)|
CC1(C)CC(CNc2ccc(Cl)c(n2)-c2cc(N[C@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)ncc2Cl)CCO1 |r,wU:18.18,26.28,wD:21.25,(4.57,-2.94,;3.03,-2.94,;3.8,-1.61,;1.7,-2.17,;.36,-2.94,;-.97,-2.17,;-2.3,-2.94,;-3.64,-2.17,;-4.97,-2.94,;-6.31,-2.17,;-6.31,-.63,;-7.64,.14,;-4.97,.14,;-3.64,-.63,;-4.97,1.68,;-3.64,2.45,;-3.64,3.99,;-2.3,4.76,;-.97,3.99,;.36,4.76,;1.7,3.99,;1.7,2.45,;.36,1.68,;-.97,2.45,;3.03,1.68,;4.36,2.45,;5.7,1.68,;7.03,2.45,;5.7,.14,;7.03,-.63,;4.36,-.63,;4.93,-1.2,;-4.97,4.76,;-6.31,3.99,;-6.31,2.45,;-7.64,1.68,;.36,-4.48,;1.7,-5.25,;3.03,-4.48,)|
Clc1cnc(NC[C@@H]2CCCNC2)cc1-c1cccc(NCC2CCOCC2)n1 |r|
FC(F)(F)OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOCC2)n1 |r,wU:11.14,wD:8.7,(8.58,2.45,;7.24,1.68,;7.24,.14,;8.58,.91,;5.91,2.45,;4.58,1.68,;3.24,2.45,;1.91,1.68,;.58,2.45,;.58,3.99,;-.76,4.76,;-2.09,3.99,;-2.09,2.45,;-.76,1.68,;-3.43,4.76,;-4.76,3.99,;-4.76,2.45,;-6.09,1.68,;-7.43,2.45,;-8.76,1.68,;-7.43,3.99,;-6.09,4.76,;-6.09,.14,;-7.43,-.63,;-7.43,-2.17,;-6.09,-2.94,;-4.76,-2.17,;-3.43,-2.94,;-2.09,-2.17,;-.76,-2.94,;-.76,-4.48,;.58,-5.25,;1.91,-4.48,;1.91,-2.94,;.58,-2.17,;-4.76,-.63,)|
FC(F)(F)OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:11.14,wD:8.7,(8.58,2.45,;7.24,1.68,;7.24,.14,;8.58,.91,;5.91,2.45,;4.58,1.68,;3.24,2.45,;1.91,1.68,;.58,2.45,;.58,3.99,;-.76,4.76,;-2.09,3.99,;-2.09,2.45,;-.76,1.68,;-3.43,4.76,;-4.76,3.99,;-4.76,2.45,;-6.09,1.68,;-7.43,2.45,;-8.76,1.68,;-7.43,3.99,;-6.09,4.76,;-6.09,.14,;-4.76,-.63,;-4.76,-2.17,;-3.43,-2.94,;-2.09,-2.17,;-.76,-2.94,;-.76,-4.48,;.58,-5.25,;1.91,-4.48,;1.91,-2.94,;.58,-2.17,;-6.09,-2.94,;-7.43,-2.17,;-7.43,-.63,;-8.76,.14,)|
Clc1cnc(NC[C@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1 |r|
Clc1cnc(NC[C@@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1 |r|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)OC)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-1.77,-.63,;-4.44,-.63,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCCCC2)OC)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-1.77,-.63,;-4.44,-.63,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2COC(C)(C)CO2)n1 |r,wU:9.12,wD:6.5,3.3,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;4,4.23,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;4,-3.47,;4,-5,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(c(NCC2CCOCC2)n1)C(F)(F)F |r,wU:9.12,wD:6.5,3.3,(7.56,2.06,;6.23,2.83,;4.9,2.06,;3.56,2.83,;3.56,4.37,;2.23,2.06,;.89,2.83,;.89,4.37,;-.44,5.14,;-1.77,4.37,;-1.77,2.83,;-.44,2.06,;-3.11,5.14,;-4.44,4.37,;-4.44,2.83,;-5.77,2.06,;-7.11,2.83,;-8.44,2.06,;-7.11,4.37,;-5.77,5.14,;-5.77,.52,;-7.11,-.25,;-7.11,-1.79,;-5.77,-2.56,;-4.44,-1.79,;-3.11,-2.56,;-1.77,-1.79,;-.44,-2.56,;-.44,-4.1,;.89,-4.87,;2.23,-4.1,;2.23,-2.56,;.89,-1.79,;-4.44,-.25,;-5.77,-4.1,;-5.77,-5.64,;-4.23,-4.1,;-7.31,-4.1,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1C(F)(F)F |r,wU:9.12,wD:6.5,3.3,(8.23,1.68,;6.9,2.45,;5.56,1.68,;4.23,2.45,;4.23,3.99,;2.9,1.68,;1.56,2.45,;1.56,3.99,;.23,4.76,;-1.11,3.99,;-1.11,2.45,;.23,1.68,;-2.44,4.76,;-3.77,3.99,;-3.77,2.45,;-5.11,1.68,;-6.44,2.45,;-7.77,1.68,;-6.44,3.99,;-5.11,4.76,;-5.11,.14,;-3.77,-.63,;-3.77,-2.17,;-2.44,-2.94,;-1.11,-2.17,;.23,-2.94,;.23,-4.48,;1.56,-5.25,;2.9,-4.48,;2.9,-2.94,;1.56,-2.17,;-5.11,-2.94,;-6.44,-2.17,;-6.44,-.63,;-7.77,.14,;-9.11,.91,;-8.54,-1.2,;-7,1.47,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
CC1(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)CCOCC1 |r,wU:14.14,wD:17.18,(2.67,-1.15,;2.67,-2.69,;1.33,-1.93,;,-2.69,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,)|
CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)CCOCC1 |r,wU:15.15,wD:18.19,(2.67,-1.15,;2.67,-2.69,;1.33,-1.93,;,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(F)CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-1.15,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1nccc(c1F)-c1nc(NCC2CCOC(C)(C)C2)ccc1C(F)(F)F |r,wU:9.12,wD:6.5,3.3,(8.23,1.68,;6.9,2.45,;5.56,1.68,;4.23,2.45,;4.23,3.99,;2.9,1.68,;1.56,2.45,;1.56,3.99,;.23,4.76,;-1.11,3.99,;-1.11,2.45,;.23,1.68,;-2.44,4.76,;-3.77,3.99,;-5.11,4.76,;-6.44,3.99,;-6.44,2.45,;-5.11,1.68,;-3.77,2.45,;-2.44,1.68,;-5.11,.14,;-3.77,-.63,;-3.77,-2.17,;-2.44,-2.94,;-1.11,-2.17,;.23,-2.94,;.23,-4.48,;1.56,-5.25,;2.9,-4.48,;2.9,-2.94,;4.23,-2.17,;2.9,-1.4,;1.56,-2.17,;-5.11,-2.94,;-6.44,-2.17,;-6.44,-.63,;-7.77,.14,;-9.11,.91,;-8.54,-1.2,;-7,1.47,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2COCC(C)(C)O2)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;3.56,-2.17,;3.56,-3.71,;.89,-2.17,;-4.44,-.63,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)c(F)cc1F |r,wU:1.0,wD:4.7,(5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;2.67,5,;4,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,-2.69,;-2.67,-4.23,;-4,-1.93,;-4,-.38,;-5.33,.38,)|
CC(CS(C)(=O)=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:8.7,wD:11.14,(4,4.23,;4,2.69,;5.33,1.93,;6.67,2.69,;7.44,1.36,;8,3.46,;5.9,4.03,;2.67,1.93,;1.33,2.69,;,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
CC1(C)OC[C@@H](CN[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2nc(NCC3CCOCC3)ccc2Cl)O1 |r,wU:11.14,5.5,wD:8.7,(8.24,1.68,;6.91,.91,;8.24,.14,;6,-.34,;4.54,.14,;4.54,1.68,;3.21,2.45,;1.87,1.68,;.54,2.45,;.54,3.99,;-.79,4.76,;-2.13,3.99,;-2.13,2.45,;-.79,1.68,;-3.46,4.76,;-4.8,3.99,;-4.8,2.45,;-6.13,1.68,;-7.46,2.45,;-8.8,1.68,;-7.46,3.99,;-6.13,4.76,;-6.13,.14,;-4.8,-.63,;-4.8,-2.17,;-3.46,-2.94,;-2.13,-2.17,;-.79,-2.94,;-.79,-4.48,;.54,-5.25,;1.87,-4.48,;1.87,-2.94,;.54,-2.17,;-6.13,-2.94,;-7.46,-2.17,;-7.46,-.63,;-8.8,.14,;6,2.15,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NC[C@H]2CCCCO2)ccc1Cl |r,wU:6.5,wD:25.26,9.12,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;-.44,1.68,;-1.77,2.45,;-1.77,3.99,;-.44,4.76,;.89,3.99,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NC2CCS(=O)(=O)C2)ncc1Cl |r,wU:19.20,wD:22.27,(-5.19,-4.23,;-5.19,-2.69,;-6.52,-1.93,;-6.52,-.38,;-5.19,.38,;-3.85,-.38,;-3.85,-1.93,;-2.52,-2.69,;-1.18,-1.93,;.15,-2.69,;.15,-4.23,;1.48,-5,;2.82,-4.23,;2.82,-2.69,;1.48,-1.92,;-5.19,1.93,;-3.85,2.69,;-3.85,4.23,;-2.52,5,;-1.18,4.23,;.15,5,;1.48,4.23,;1.48,2.69,;.15,1.93,;-1.18,2.69,;2.82,1.93,;4.15,2.69,;4.15,4.23,;5.61,4.71,;6.52,3.47,;7.85,4.23,;7.85,2.69,;5.61,2.22,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-7.85,1.93,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NC[C@@H]2CCCOC2)ccc1Cl |r,wU:25.26,6.5,wD:9.12,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;-.44,1.68,;-1.77,2.45,;-1.77,3.99,;-.44,4.76,;.89,3.99,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NCC2CCO2)ncc1Cl |r,wU:19.20,wD:22.27,(-4.96,-4.48,;-4.96,-2.94,;-6.3,-2.17,;-6.3,-.63,;-4.96,.14,;-3.63,-.63,;-3.63,-2.17,;-2.29,-2.94,;-.96,-2.17,;.37,-2.94,;.37,-4.48,;1.71,-5.25,;3.04,-4.48,;3.04,-2.94,;1.71,-2.17,;-4.96,1.68,;-3.63,2.45,;-3.63,3.99,;-2.29,4.76,;-.96,3.99,;.37,4.76,;1.71,3.99,;1.71,2.45,;.37,1.68,;-.96,2.45,;3.04,1.68,;4.37,2.45,;5.71,1.68,;6.11,.19,;7.59,.59,;7.2,2.07,;-4.96,4.76,;-6.3,3.99,;-6.3,2.45,;-7.63,1.68,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NC[C@@H]2CCCCO2)ccc1Cl |r,wU:25.26,6.5,wD:9.12,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;-.44,1.68,;-1.77,2.45,;-1.77,3.99,;-.44,4.76,;.89,3.99,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
CS(=O)(=O)CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:10.13,wD:7.6,(8,3.46,;6.67,2.69,;5.9,4.03,;7.44,1.36,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NC[C@H]2CCCOC2)ccc1Cl |r,wU:6.5,wD:25.26,9.12,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;-.44,1.68,;-1.77,2.45,;-1.77,3.99,;-.44,4.76,;.89,3.99,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@H]2CCOC(C)(C)C2)n1 |r,wU:9.12,wD:27.28,6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;3.56,-2.17,;2.23,-1.4,;.89,-2.17,;-4.44,-.63,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOC(C)(C)C2)n1 |r,wU:9.12,wD:6.5,3.3,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;4,4.23,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.93,;2.67,-1.15,;1.33,-1.92,;-4,-.38,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@@H]2CCOC(C)(C)C2)n1 |r,wU:27.28,9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;3.56,-2.17,;2.23,-1.4,;.89,-2.17,;-4.44,-.63,)|
Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NCC2CCS(=O)(=O)CC2)ncc1Cl |r,wU:19.20,wD:22.27,(-6,-4.48,;-6,-2.94,;-7.34,-2.17,;-7.34,-.63,;-6,.14,;-4.67,-.63,;-4.67,-2.17,;-3.33,-2.94,;-2,-2.17,;-.67,-2.94,;-.67,-4.48,;.67,-5.25,;2,-4.48,;2,-2.94,;.67,-2.17,;-6,1.68,;-4.67,2.45,;-4.67,3.99,;-3.33,4.76,;-2,3.99,;-.67,4.76,;.67,3.99,;.67,2.45,;-.67,1.68,;-2,2.45,;2,1.68,;3.33,2.45,;4.67,1.68,;4.67,.14,;6,-.63,;7.34,.14,;8.67,.91,;8.67,-.63,;7.34,1.68,;6,2.45,;-6,4.76,;-7.34,3.99,;-7.34,2.45,;-8.67,1.68,)|
CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@@H](CC3)NC3CCS(=O)(=O)C3)ncc2Cl)CCOCC1 |r,wU:15.15,wD:18.22,(.15,-1.15,;.15,-2.69,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-3.85,-.38,;-5.19,.38,;-6.52,-.38,;-6.52,-1.93,;-5.19,-2.69,;-5.19,-4.23,;-5.19,1.93,;-3.85,2.69,;-3.85,4.23,;-2.52,5,;-1.18,4.23,;.15,5,;1.48,4.23,;1.48,2.69,;.15,1.93,;-1.18,2.69,;2.82,1.93,;4.15,2.69,;4.15,4.23,;5.61,4.71,;6.52,3.47,;7.85,4.23,;7.85,2.69,;5.61,2.22,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-7.85,1.93,;.15,-4.23,;1.48,-5,;2.82,-4.23,;2.82,-2.69,;1.48,-1.92,)|
CC1(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc(F)c(NCC3CCOCC3)n2)OCCO1 |r,wU:6.9,wD:3.2,(4.82,1.15,;4.82,2.69,;3.48,1.93,;2.15,2.69,;2.15,4.23,;.82,5,;-.52,4.23,;-.52,2.69,;.82,1.93,;-1.85,5,;-3.19,4.23,;-3.19,2.69,;-4.52,1.93,;-5.85,2.69,;-7.19,1.93,;-5.85,4.23,;-4.52,5,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-4.52,-4.23,;-3.19,-1.93,;-1.85,-2.69,;-.52,-1.93,;.82,-2.69,;.82,-4.23,;2.15,-5,;3.48,-4.23,;3.48,-2.69,;2.15,-1.92,;-3.19,-.38,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,)|
CC1(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc(F)c(NCC3(C)CCOCC3)n2)OCCO1 |r,wU:6.9,wD:3.2,(4.82,1.15,;4.82,2.69,;3.48,1.93,;2.15,2.69,;2.15,4.23,;.82,5,;-.52,4.23,;-.52,2.69,;.82,1.93,;-1.85,5,;-3.19,4.23,;-3.19,2.69,;-4.52,1.93,;-5.85,2.69,;-7.19,1.93,;-5.85,4.23,;-4.52,5,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-4.52,-4.23,;-3.19,-1.93,;-1.85,-2.69,;-.52,-1.93,;.82,-2.69,;.82,-1.15,;.82,-4.23,;2.15,-5,;3.48,-4.23,;3.48,-2.69,;2.15,-1.92,;-3.19,-.38,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,)|
CC1(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc(F)c(NCC3(CCOCC3)C#N)n2)OCCO1 |r,wU:6.9,wD:3.2,(4.82,1.15,;4.82,2.69,;3.48,1.93,;2.15,2.69,;2.15,4.23,;.82,5,;-.52,4.23,;-.52,2.69,;.82,1.93,;-1.85,5,;-3.19,4.23,;-3.19,2.69,;-4.52,1.93,;-5.85,2.69,;-7.19,1.93,;-5.85,4.23,;-4.52,5,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-4.52,-4.23,;-3.19,-1.93,;-1.85,-2.69,;-.52,-1.93,;.82,-2.69,;.82,-4.23,;2.15,-5,;3.48,-4.23,;3.48,-2.69,;2.15,-1.92,;.82,-1.15,;.82,.38,;-3.19,-.38,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:8.11,wD:5.4,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-5.77,-4.48,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-5.77,-4.48,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:4.7,wD:1.0,(4.84,1.68,;3.51,2.45,;3.51,3.99,;2.18,4.76,;.84,3.99,;.84,2.45,;2.18,1.68,;-.49,4.76,;-1.82,3.99,;-1.82,2.45,;-3.16,1.68,;-4.49,2.45,;-5.82,1.68,;-4.49,3.99,;-3.16,4.76,;-3.16,.14,;-4.49,-.63,;-4.49,-2.17,;-3.16,-2.94,;-3.16,-4.48,;-1.82,-2.17,;-.49,-2.94,;.84,-2.17,;2.18,-2.94,;2.18,-4.48,;3.51,-5.25,;4.84,-4.48,;4.84,-2.94,;3.51,-2.17,;2.18,-1.4,;2.18,.14,;-1.82,-.63,)|
CCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:7.10,wD:4.3,(6.97,2.45,;5.64,1.68,;4.3,2.45,;2.97,1.68,;1.63,2.45,;1.63,3.99,;.3,4.76,;-1.03,3.99,;-1.03,2.45,;.3,1.68,;-2.37,4.76,;-3.7,3.99,;-3.7,2.45,;-5.03,1.68,;-6.37,2.45,;-7.7,1.68,;-6.37,3.99,;-5.03,4.76,;-5.03,.14,;-6.37,-.63,;-6.37,-2.17,;-5.03,-2.94,;-5.03,-4.48,;-3.7,-2.17,;-2.37,-2.94,;-1.03,-2.17,;.3,-2.94,;.3,-4.48,;1.63,-5.25,;2.97,-4.48,;2.97,-2.94,;1.63,-2.17,;.3,-1.4,;.3,.14,;-3.7,-.63,)|
CCCN(CCC)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:10.13,wD:7.6,(7.02,2.45,;5.69,1.68,;4.36,2.45,;3.02,1.68,;3.02,.14,;4.36,-.63,;5.13,-1.97,;1.69,2.45,;1.69,3.99,;.35,4.76,;-.98,3.99,;-.98,2.45,;.35,1.68,;-2.31,4.76,;-3.65,3.99,;-3.65,2.45,;-4.98,1.68,;-6.31,2.45,;-7.65,1.68,;-6.31,3.99,;-4.98,4.76,;-4.98,.14,;-6.31,-.63,;-6.31,-2.17,;-4.98,-2.94,;-4.98,-4.48,;-3.65,-2.17,;-2.31,-2.94,;-.98,-2.17,;.35,-2.94,;.35,-4.48,;1.69,-5.25,;3.02,-4.48,;3.02,-2.94,;1.69,-2.17,;.35,-1.4,;.35,.14,;-3.65,-.63,)|
CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@@H](CC3)NC3CCS(=O)(=O)CC3)ncc2Cl)CCOCC1 |r,wU:18.22,wD:15.15,(-.1,-1.44,;-.1,-2.98,;-1.44,-2.21,;-2.77,-2.98,;-4.1,-2.21,;-4.1,-.67,;-5.44,.1,;-6.77,-.67,;-6.77,-2.21,;-5.44,-2.98,;-5.44,-4.52,;-5.44,1.64,;-4.1,2.41,;-4.1,3.95,;-2.77,4.72,;-1.44,3.95,;-1.44,2.41,;-.1,1.64,;1.23,2.41,;1.23,3.95,;-.1,4.72,;2.56,1.64,;3.9,2.41,;5.23,1.64,;6.57,2.41,;6.57,3.95,;8.11,3.95,;7.34,5.29,;5.23,4.72,;3.9,3.95,;-5.44,4.72,;-6.77,3.95,;-6.77,2.41,;-8.11,1.64,;-.1,-4.52,;1.23,-5.29,;2.56,-4.52,;2.56,-2.98,;1.23,-2.21,)|
CC1(CNc2nc(ccc2F)-c2cc(NC3CCC(CC3)NC3CS(=O)(=O)C3)ncc2Cl)CCOCC1 |(.29,-1.21,;.29,-2.75,;-1.05,-1.98,;-2.38,-2.75,;-3.71,-1.98,;-3.71,-.44,;-5.05,.33,;-6.38,-.44,;-6.38,-1.98,;-5.05,-2.75,;-5.05,-4.29,;-5.05,1.87,;-3.71,2.64,;-3.71,4.18,;-2.38,4.95,;-1.05,4.18,;-1.05,2.64,;.29,1.87,;1.62,2.64,;1.62,4.18,;.29,4.95,;2.95,1.87,;4.29,2.64,;5.78,2.24,;6.17,3.73,;7.71,3.73,;6.94,5.06,;4.69,4.13,;-5.05,4.95,;-6.38,4.18,;-6.38,2.64,;-7.71,1.87,;.29,-4.29,;1.62,-5.06,;2.95,-4.29,;2.95,-2.75,;1.62,-1.98,)|
Clc1ccc(NCC2CCOCC2)nc1-c1cc(NC2CCC(CC2)NC2CCS(=O)(=O)CC2)ncc1Cl |(-8,.23,;-6.67,-.54,;-6.67,-2.08,;-5.33,-2.85,;-4,-2.08,;-2.67,-2.85,;-1.33,-2.08,;,-2.85,;,-4.39,;1.33,-5.16,;2.67,-4.39,;2.67,-2.85,;1.33,-2.08,;-4,-.54,;-5.33,.23,;-5.33,1.77,;-4,2.54,;-4,4.08,;-2.67,4.85,;-1.33,4.08,;-1.33,2.54,;,1.77,;1.33,2.54,;1.33,4.08,;,4.85,;2.67,1.77,;4,2.54,;5.33,1.77,;6.67,2.54,;6.67,4.08,;7.76,5.16,;8,3.31,;5.33,4.85,;4,4.08,;-5.33,4.85,;-6.67,4.08,;-6.67,2.54,;-8,1.77,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CO)CCOCC2)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-1.4,;.89,-.63,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-4.44,-.63,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CO)CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-1.15,;1.33,-.38,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.7,;4,4.24,;2.67,5,;1.33,4.24,;1.33,2.7,;2.67,1.93,;,5.01,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;2.67,-1.16,;2.67,.38,;-1.33,-.39,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(8,1.93,;6.67,2.7,;5.33,1.93,;4,2.7,;4,4.24,;2.67,1.93,;1.33,2.7,;1.33,4.24,;,5,;-1.33,4.24,;-1.33,2.7,;,1.93,;-2.67,5.01,;-4,4.23,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.39,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;,-4.24,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;,-1.16,;,.38,;-4,-.39,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.7,;4,4.24,;2.67,5,;1.33,4.24,;1.33,2.7,;2.67,1.93,;,5.01,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;2.67,-1.16,;2.67,.38,;-1.33,-.39,)|
CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.9,wD:3.2,(6.67,1.93,;5.33,2.7,;4,1.93,;2.67,2.7,;2.67,4.24,;1.33,5,;,4.24,;,2.7,;1.33,1.93,;-1.33,5.01,;-2.67,4.23,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-6.67,1.92,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.39,;-5.33,-1.93,;-4,-2.7,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;1.33,-2.7,;1.33,-4.24,;2.67,-5.01,;4,-4.24,;4,-2.7,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;-2.67,-.39,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.9,wD:3.2,(6,2.7,;4.67,1.93,;4.67,.39,;3.33,2.7,;3.33,4.24,;2,5,;.67,4.24,;.67,2.7,;2,1.93,;-.67,5.01,;-2,4.23,;-2,2.69,;-3.33,1.92,;-4.67,2.69,;-6,1.92,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;2,-2.7,;2,-4.24,;3.33,-5.01,;4.67,-4.24,;4.67,-2.7,;3.33,-1.93,;2,-1.16,;2,.38,;-2,-.39,)|
FC(F)(F)OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:11.14,wD:8.7,(8.67,2.7,;7.34,1.93,;7.34,.39,;8.67,1.16,;6,2.7,;4.67,1.93,;3.33,2.7,;2,1.93,;.67,2.7,;.67,4.24,;-.67,5.01,;-2,4.24,;-2,2.7,;-.67,1.93,;-3.33,5.01,;-4.67,4.23,;-4.67,2.69,;-6,1.92,;-7.34,2.69,;-8.67,1.92,;-7.34,4.23,;-6,5,;-6,.38,;-7.34,-.39,;-7.34,-1.93,;-6,-2.7,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;-.67,-4.24,;.67,-5.01,;2,-4.24,;2,-2.7,;.67,-1.93,;-.67,-1.16,;-.67,.38,;-4.67,-.39,)|
Clc1cnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)cc1-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.5,wD:9.12,(-7.57,1.92,;-6.23,2.69,;-6.23,4.23,;-4.9,5,;-3.56,4.23,;-2.23,5.01,;-.9,4.24,;.44,5.01,;1.77,4.24,;1.77,2.7,;.44,1.93,;-.9,2.7,;3.1,1.93,;4.59,2.32,;5.68,1.23,;7.17,1.63,;7.57,3.12,;6.48,4.21,;4.99,3.81,;-3.56,2.69,;-4.9,1.92,;-4.9,.38,;-6.23,-.39,;-6.23,-1.93,;-4.9,-2.7,;-3.56,-1.93,;-2.23,-2.7,;-.9,-1.93,;.44,-2.7,;.44,-4.24,;1.77,-5.01,;3.1,-4.24,;3.1,-2.7,;1.77,-1.93,;.44,-1.16,;.44,.38,;-3.56,-.39,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(F)CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.7,;5.33,1.93,;4,2.7,;2.67,1.93,;1.33,2.7,;1.33,4.24,;,5.01,;-1.33,4.24,;-1.33,2.7,;,1.93,;-2.67,5.01,;-4,4.23,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.39,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;,-1.16,;,-4.24,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;-4,-.39,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(C)CCS(=O)(=O)CC2)n1 |r,wU:9.12,wD:6.5,3.3,(8,3.36,;6.67,4.13,;5.33,3.36,;4,4.13,;4,5.67,;2.67,3.36,;1.33,4.13,;1.33,5.67,;,6.44,;-1.33,5.67,;-1.33,4.13,;,3.36,;-2.67,6.44,;-4,5.67,;-4,4.13,;-5.33,3.36,;-6.67,4.13,;-8,3.36,;-6.67,5.67,;-5.33,6.44,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-2.67,-2.8,;-1.33,-3.57,;-1.33,-2.03,;-1.33,-5.11,;,-5.88,;1.33,-5.11,;2.87,-5.11,;2.1,-6.44,;1.33,-3.57,;,-2.8,;-4,1.05,)|
CCN(CC)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:8.11,wD:5.4,(6.67,1.93,;5.33,2.69,;4,1.93,;4,.39,;5.33,-.38,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-6.67,1.92,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.39,;-5.33,-1.93,;-4,-2.7,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;1.33,-1.15,;1.33,.38,;-2.67,-.39,)|
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC(CO)CO)n1 |r,wU:9.12,wD:6.5,3.3,(8,1.92,;6.67,2.69,;5.33,1.92,;4,2.69,;4,4.23,;2.67,1.92,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.92,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.39,;-6.67,-1.93,;-5.33,-2.7,;-5.33,-4.24,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;,-4.23,;1.33,-5,;1.33,-1.93,;2.67,-2.7,;-4,-.39,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCNCC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C(=O)OC(C)(C)C |t:23|
CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:12|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)S(C)(=O)=O |t:23|
CS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4NCc1c23 |c:7|
CCCN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)S(C)(=O)=O |t:25|
CS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(CC4CCOCC4)Cc1c23 |c:7|
CCC1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCN(CC1)C(=O)OC(C)(C)C |t:25|
CCC1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCNCC1 |t:25|
CN1C(c2cnn(C)c2)c2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCNCC1 |t:30|
CCC1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCN(CC1)S(C)(=O)=O |t:25|
CN(C)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:9|
CNC(=O)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:7|
Fc1ccc2OCc3c([nH]c4nccc(-c2c1)c34)C1=CCNCC1 |t:22|
CS(=O)(=O)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4OCc1c23 |c:7|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(O)=O)CC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:23|
CN(CCO)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:11|
CC1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCN(CC1)S(C)(=O)=O |t:24|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1CCNCC1
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1CCN(CC(=O)OC(C)(C)C)CC1
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1CCN(CC(O)=O)CC1
CN(C1CC(O)C1)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:14,(-4.45,-8.23,;-2.91,-8.27,;-2.18,-9.62,;-.7,-10.06,;-1.14,-11.53,;-.4,-12.89,;-2.62,-11.1,;-2.11,-6.95,;-.57,-6.99,;-2.84,-5.6,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
CNS(=O)(=O)CC(=O)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:11|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1CCN(CC(=O)N2CCC[C@H]2CO)CC1
CN(CCO)C(=O)CN1CCC(CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23
CCOC(=O)C1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCNCC1 |t:28|
CC(C)[C@@H](NC1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23)C(O)=O |c:8|
C[C@H](NC1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23)C(O)=O |c:6|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)NCC(O)=O |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)N[C@H](C(O)=O)c1ccccc1 |t:23|
CN1C(C(O)=O)c2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCNCC1 |t:26|
CC(C)[C@H](NC1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23)C(O)=O |c:8|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)N[C@@H](Cc1ccccc1)C(O)=O |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)N[C@H](C(O)=O)C(C)(C)C |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)N1CCC[C@H]1C(O)=O |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)N[C@@H](CO)C(O)=O |t:23|
CCC[C@H](NC1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23)C(O)=O |c:8|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)N[C@@H](Cc1ccc(O)cc1)C(O)=O |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)C(O)=O |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CC[C@H](O)C2)CC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)-c1ccc(cc1)S(C)(=O)=O
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)-c1ccncc1
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)-c1ccc(nc1)S(C)(=O)=O
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)-c1cnc(N)nc1
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)-c1ccc(cc1)C(O)=O
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCNCC1 |t:24|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC1)C(=O)OC(C)(C)C |t:24|
CN(C)C(=O)C1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:8|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCC(CC1)C(=O)N1CC(O)C1 |t:23|
CNC(=O)C1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:7|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N(CCO)CCO)CC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CC(F)(F)C2)CC1 |t:23|
CN(C)C(=O)CN1[C@H]2CC[C@@H]1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:12,THB:14:12:6:8.9|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O |t:23,TLB:4:19:26:23.22|
CNC(=O)N1[C@H]2CC[C@@H]1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:10,THB:12:10:4:6.7|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@H]2CC[C@@H](C1)N2CC(O)=O |t:23,TLB:4:19:26:23.22|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CC2CNCC2C1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)-c1cccnc1
CCOC(=O)C1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:8|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@H]2CC[C@@H](C1)N2 |t:23,TLB:4:19:26:23.22|
CN(CC(O)CO)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:13|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CCC[C@@H]2CO)CC1 |t:23|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)OC(C)(C)C)CC1 |t:24|
CN(C)C(=O)CN1CCC(=CC1)c1[nH]c2ncc(F)c3-c4cc(F)ccc4N(C)Cc1c23 |c:9|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC(O)=O)CC1 |t:24|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC1)S(C)(=O)=O |t:24|
COCCS(=O)(=O)N1CC2CC(=CC2C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:11|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |t:24|
CN(CCO)C(=O)CN1CCC(=CC1)c1[nH]c2ncc(F)c3-c4cc(F)ccc4N(C)Cc1c23 |c:11|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:24|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CC[C@H](O)C2)CC1 |t:24|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CC(CO)C2)CC1 |t:24|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CCC[C@@H]2CO)CC1 |t:24|
CNC(=O)N1CC2CC(=CC2C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:8|
CN(C)C(=O)CN1CC2CC(=CC2C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:10|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CC2CN(CC2C1)S(C)(=O)=O |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H]1CO |t:23,TLB:4:19:26:23.22|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@H]2CC[C@@H](C1)N2CC(=O)N1CC(O)C1 |t:23,TLB:4:19:26:23.22|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)-c1ccc(CC(O)=O)cc1
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)-c1cccc(CC(O)=O)c1
CN(CC(O)CO)C(=O)CN1[C@H]2CC[C@@H]1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:16,THB:18:16:10:12.13|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CC2CN(CC(=O)N3CC(O)C3)CC2C1 |t:23|
CN(CC(O)CO)C(=O)CN1CC2CC(=CC2C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:14|
CN(CCO)C(=O)CN1CC2CC(=CC2C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:12|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCNCC1 |t:23|
CN(C)C(=O)CN1CCC=C(CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:9|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCN(CC1)S(C)(=O)=O |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCN(CC(O)=O)CC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCN(CC(=O)N2CC(O)C2)CC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCNCC1(C)C |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCNC1 |t:23|
CN(C1CC(O)C1)C(=O)CN1CC2CC(=CC2C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:15,(-5.32,-9.64,;-6.05,-8.29,;-7.59,-8.25,;-8.71,-9.31,;-9.77,-8.19,;-11.31,-8.15,;-8.65,-7.13,;-5.25,-6.97,;-5.98,-5.62,;-3.71,-7.01,;-2.91,-5.7,;-3.49,-4.28,;-2.32,-3.28,;-1.96,-1.78,;-.43,-1.66,;.16,-3.08,;-1.01,-4.08,;-1.37,-5.58,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCN(C1)S(C)(=O)=O |t:23|
CNC(=O)N1CCC=C(C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:7|
CN(C)C(=O)CN1CCC=C(C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:9|
CN(C1CC(O)C1)C(=O)CN1[C@H]2CC[C@@H]1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |wU:14.15,wD:11.11,c:17,THB:18:16:10:12.13,(5.93,-9.21,;6.94,-8.05,;8.45,-8.35,;9.73,-7.49,;10.59,-8.77,;12.1,-9.06,;9.31,-9.62,;6.44,-6.59,;7.46,-5.43,;4.93,-6.29,;4.43,-4.84,;4.49,-3.3,;5.72,-2.2,;4.44,-2.65,;3.58,-3.82,;1.88,-3.49,;1.94,-1.94,;2.72,-2.92,;1.46,-.48,;;,1.54,;-1.14,2.57,;-.82,4.08,;.64,4.55,;1.87,3.5,;3.29,4.11,;3.24,5.64,;4.55,6.45,;4.51,7.99,;5.91,5.72,;5.96,4.19,;4.65,3.38,;4.92,1.86,;6.41,1.45,;3.91,.7,;2.37,.77,;1.46,2.02,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CC2CCCC(C1)N2S(C)(=O)=O |t:23,TLB:4:19:27:24.23.22|
CNC(=O)N1C2CCCC1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:11,THB:13:11:4:6.7.8|
CN(C)C(=O)CN1C2CCCC1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:13,THB:15:13:6:8.9.10|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CC2CCCC(C1)N2C(=O)CC#N |t:23,TLB:4:19:27:24.23.22|
CN(CCO)C(=O)CN1C2CCCC1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:15,THB:17:15:8:10.11.12|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CC2CCCC(C1)N2CC(=O)N1CCC[C@H]1CO |t:23,TLB:4:19:27:24.23.22|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CC2CCCC(C1)N2CC(=O)N1CC(O)C1 |t:23,TLB:4:19:27:24.23.22|
CN(C1CC(O)C1)C(=O)CN1C2CCCC1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:18,THB:19:17:10:12.13.14,(2.98,-10.12,;1.48,-9.77,;.43,-10.9,;.49,-12.44,;-1.05,-12.49,;-2.1,-13.62,;-1.11,-10.95,;1.03,-8.3,;-.47,-7.95,;2.08,-7.17,;1.63,-5.7,;.69,-4.5,;-.73,-3.32,;.06,-1.97,;.34,-3.27,;1.72,-4.39,;2.88,-3.13,;1.94,-1.94,;1.89,-3.17,;1.46,-.48,;;,1.54,;-1.14,2.57,;-.82,4.08,;.64,4.55,;1.87,3.5,;3.29,4.11,;3.24,5.64,;4.55,6.45,;4.51,7.99,;5.91,5.72,;5.96,4.19,;4.65,3.38,;4.92,1.86,;6.41,1.45,;3.91,.7,;2.37,.77,;1.46,2.02,)|
CN(CC(O)CO)C(=O)CN1C2CCCC1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:17,THB:19:17:10:12.13.14|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CC2CCCC(C1)N2CC(O)=O |t:23,TLB:4:19:27:24.23.22|
CN(C1CC(O)C1)C(=O)CN1CCC(=CC1)c1[nH]c2ncc(F)c3-c4cc(F)ccc4N(C)Cc1c23 |c:14,(-4.45,-8.23,;-2.91,-8.27,;-2.18,-9.62,;-.7,-10.06,;-1.14,-11.53,;-.4,-12.89,;-2.62,-11.1,;-2.11,-6.95,;-.57,-6.99,;-2.84,-5.6,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
CN(CC(O)CO)C(=O)CN1CCC(=CC1)c1[nH]c2ncc(F)c3-c4cc(F)ccc4N(C)Cc1c23 |c:13|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(O)=O)CC1(C)C |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCN(CC(O)=O)C1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1(C)C)S(C)(=O)=O |t:23|
CN(C)C(=O)CN1CC=C(c2[nH]c3nccc4-c5cc(F)ccc5N(C)Cc2c34)C(C)(C)C1 |t:8|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1(C)C |t:23|
CN(CCO)C(=O)CN1CC=C(c2[nH]c3nccc4-c5cc(F)ccc5N(C)Cc2c34)C(C)(C)C1 |t:10|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC(=O)N2CC(O)C2)CC1(C)C |t:23|
CN(C1CC(O)C1)C(=O)CN1CC=C(c2[nH]c3nccc4-c5cc(F)ccc5N(C)Cc2c34)C(C)(C)C1 |t:13,(-4.45,-8.23,;-2.91,-8.27,;-2.18,-9.62,;-.7,-10.06,;-1.14,-11.53,;-.4,-12.89,;-2.62,-11.1,;-2.11,-6.95,;-.57,-6.99,;-2.84,-5.6,;-2.04,-4.29,;-2.77,-2.93,;-1.97,-1.62,;-.43,-1.66,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,;.31,-3.01,;1.51,-2.05,;1.46,-4.03,;-.5,-4.33,)|
CN(CC(O)CO)C(=O)CN1CC=C(c2[nH]c3nccc4-c5cc(F)ccc5N(C)Cc2c34)C(C)(C)C1 |t:12|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCN(CC(=O)N2CCC[C@H]2CO)C1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCN(CC(=O)N2CC(O)C2)C1 |t:23|
CN(C1CC(O)C1)C(=O)CN1CCC=C(C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:14,(-7.39,-2.81,;-6.66,-4.17,;-7.46,-5.48,;-7.1,-6.98,;-8.6,-7.34,;-9.4,-8.65,;-8.96,-5.84,;-5.12,-4.21,;-4.38,-5.56,;-4.31,-2.89,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-.43,-1.66,;-1.97,-1.62,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
CN(CC(O)CO)C(=O)CN1CCC=C(C1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:13|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.33,25.29,t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=C[C@@H]2COC(=O)N2CC1 |t:24|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=C[C@H](CO)NCC1 |t:24|
CN1CCc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCNCC1 |t:24|
CN1CCc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)S(C)(=O)=O |t:24|
CN(C)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)CCc1c23 |c:9|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.33,wD:25.29,t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=CCN(CC1)S(C)(=O)=O |t:24|
CN(C)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)c(F)cc4N(C)Cc1c23 |c:9|
COC(=O)CC1CC[C@@H](CC1)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)c(F)cc4N(C)Cc1c23 |r,wD:8.11,c:15,(-1.89,-12.02,;-2.98,-10.93,;-4.52,-10.89,;-5.33,-12.21,;-5.26,-9.54,;-4.45,-8.23,;-5.19,-6.87,;-4.38,-5.56,;-2.84,-5.6,;-2.11,-6.95,;-2.91,-8.27,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;9.44,-.17,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
COC(=O)CC1CC[C@@H](CC1)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)c(F)cc4N(C)Cc1c23 |r,wU:8.11,c:15,(-1.89,-12.02,;-2.98,-10.93,;-4.52,-10.89,;-5.33,-12.21,;-5.26,-9.54,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;9.44,-.17,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
CN1Cc2c([nH]c3nccc(-c4cccnc14)c23)C1=CCNCC1 |t:22|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:29.34,26.30,t:24,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;9.44,-.17,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:24|
CN1Cc2c([nH]c3nccc(-c4cccnc14)c23)C1=CCN(CC1)S(C)(=O)=O |t:22|
CNC(=O)N1CCC(=CC1)c1[nH]c2nccc3-c4cccnc4N(C)Cc1c23 |c:7|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CC(CC(O)=O)C1 |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.34,-5.96,;-3.98,-7.46,;-4.79,-8.77,;-4.05,-10.12,;-2.51,-10.16,;-4.86,-11.44,;-2.48,-7.1,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.36,wD:25.29,t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,)|
CC[C@@H]1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCNCC1 |t:25|
CC[C@H]1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCNCC1 |t:25|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=CCNCC1 |t:24|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=CCN(CC(O)=O)CC1 |t:24|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:29.34,wD:26.30,t:24,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;9.44,-.17,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |t:24|
CN(C1CC(O)C1)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)c(F)cc4N(C)Cc1c23 |c:14,(-4.45,-8.23,;-2.91,-8.27,;-2.18,-9.62,;-.7,-10.06,;-1.14,-11.53,;-.4,-12.89,;-2.62,-11.1,;-2.11,-6.95,;-.57,-6.99,;-2.84,-5.6,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;9.44,-.17,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
CN(C)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cccnc4N(C)Cc1c23 |c:9|
CN1Cc2c([nH]c3nccc(-c4cc(F)c(F)cc14)c23)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.37,wD:26.30,t:24,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;9.44,-.17,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@@H]2COC(=O)N2CC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@H]2COC(=O)N2CC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN2[C@@H](COC2=O)C1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@H](CO)NCC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=C[C@@H](CO)NCC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN[C@@H](CO)C1 |t:23|
CN(CCO)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)c(F)cc4N(C)Cc1c23 |c:11|
CN1Cc2c([nH]c3nccc(-c4ccccc14)c23)C1=CCNCC1 |t:22|
CN1Cc2c([nH]c3ncc(F)c(-c4ccccc14)c23)C1=CCNCC1 |t:23|
CN1Cc2c([nH]c3nccc(-c4ccccc14)c23)C1=CCN(CC1)S(C)(=O)=O |t:22|
CN1Cc2c([nH]c3ncc(F)c(-c4ccccc14)c23)C1=CCN(CC1)S(C)(=O)=O |t:23|
CN(C)C(=O)CN1CCC(=CC1)c1[nH]c2nccc3-c4ccccc4N(C)Cc1c23 |c:9|
CN(C)C(=O)CN1CCC(=CC1)c1[nH]c2ncc(F)c3-c4ccccc4N(C)Cc1c23 |c:9|
OCC(O)CN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4OCc1c23 |c:8|
OC(=O)CC1CCC(CC1)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4OCc1c23 |c:14,(-2.98,-10.93,;-4.52,-10.89,;-5.33,-12.21,;-5.26,-9.54,;-4.45,-8.23,;-5.19,-6.87,;-4.38,-5.56,;-2.84,-5.6,;-2.11,-6.95,;-2.91,-8.27,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.37,wD:26.30,t:24,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,)|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:29.34,wD:26.30,t:24,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CC[C@@H]1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCN(CC(=O)N(C)C)CC1 |t:25|
CN1Cc2c([nH]c3nccc(-c4ccccc14)c23)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.32,wD:24.28,t:22,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CN1Cc2c([nH]c3nccc(-c4ccccc14)c23)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.32,24.28,t:22,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CN1Cc2c([nH]c3nccc(-c4ccccc14)c23)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:27.35,wD:24.28,t:22,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,)|
CN1Cc2c([nH]c3nccc(-c4ccccc14)c23)C1=CCN(CC1)C1CCC(CC1)C(O)=O |t:22,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CCC(CC1)=CC#N |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-4.52,-10.89,;-3.79,-12.25,)|
COC(=O)C(C)=C1CCC(CC1)N1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:16,(-4.59,-13.56,;-5.33,-12.21,;-4.52,-10.89,;-2.98,-10.93,;-5.26,-9.54,;-6.8,-9.5,;-4.45,-8.23,;-5.19,-6.87,;-4.38,-5.56,;-2.84,-5.6,;-2.11,-6.95,;-2.91,-8.27,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;4.4,-1.46,;5.05,-2.85,;2.86,-1.44,;1.91,-.23,;2.27,1.27,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CCC(CC1)=CC(=O)OC(C)(C)C |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-7.6,-10.81,;-7.53,-8.15,;-9.07,-8.15,;-10.61,-8.15,;-9.07,-9.69,;-9.07,-6.61,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CCC(CC1)=C(C)C(O)=O |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CCC(CC1)=CC(O)=O |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,)|
CN(C)S(=O)(=O)CCN1CCC(=CC1)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |c:11|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CCS(N)(=O)=O)CC1 |t:23|
CN1Cc2c([nH]c3ncc(F)c(-c4ccccc14)c23)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.33,wD:25.29,t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CN1Cc2c([nH]c3ncc(F)c(-c4ccccc14)c23)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.36,wD:25.29,t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,)|
CN1Cc2c([nH]c3ncc(F)c(-c4ccccc14)c23)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.33,25.29,t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-5.26,-9.54,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,;-2.91,-8.27,;-2.11,-6.95,)|
CN1Cc2c([nH]c3ncc(F)c(-c4ccccc14)c23)C1=CCN(CC1)[C@H]1CC[C@H](CC1)C(O)=O |r,wU:28.36,25.29,t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-2.11,-6.95,;-2.91,-8.27,;-4.45,-8.23,;-5.19,-6.87,;-4.38,-5.56,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCCN(CC1)C1CCC(CC1)=CC(O)=O |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;.4,-2.95,;-.09,-4.41,;-1.54,-4.94,;-2.85,-4.13,;-3.04,-2.61,;-1.96,-1.5,;-4.14,-4.97,;-5.51,-4.26,;-6.81,-5.1,;-6.73,-6.64,;-5.36,-7.34,;-4.07,-6.51,;-8.03,-7.47,;-7.95,-9.01,;-6.58,-9.71,;-9.25,-9.84,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CCC(CC1)C(C)(C)C(O)=O |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-3.94,-10.34,;-6.57,-8.73,;-6.06,-10.85,;-7.6,-10.81,;-5.33,-12.21,)|
CC[C@@H]1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCN(CC1)[C@H]1C[C@H](C1)C(=O)OC |wU:29.36,27.31,2.1,t:25,(3.03,-4.1,;2.17,-2.82,;2.86,-1.44,;4.4,-1.46,;5.05,-2.85,;5.37,-.26,;6.84,-.74,;7.98,.3,;7.65,1.8,;8.79,2.84,;6.19,2.28,;5.04,1.24,;3.67,1.92,;3.66,3.55,;2.35,4.35,;1,3.62,;.96,2.08,;-.21,1.08,;.38,-.35,;1.91,-.23,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-2.48,-7.1,;-3.98,-7.46,;-4.34,-5.96,;-4.79,-8.77,;-4.05,-10.12,;-6.33,-8.73,;-7.13,-10.04,)|
CC[C@@H]1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCN(CC1)[C@H]1C[C@H](C1)C(O)=O |wU:29.36,27.31,2.1,t:25,(3.03,-4.1,;2.17,-2.82,;2.86,-1.44,;4.4,-1.46,;5.05,-2.85,;5.37,-.26,;6.84,-.74,;7.98,.3,;7.65,1.8,;8.79,2.84,;6.19,2.28,;5.04,1.24,;3.67,1.92,;3.66,3.55,;2.35,4.35,;1,3.62,;.96,2.08,;-.21,1.08,;.38,-.35,;1.91,-.23,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-2.48,-7.1,;-3.98,-7.46,;-4.34,-5.96,;-4.79,-8.77,;-6.33,-8.73,;-4.05,-10.12,)|
CN1CCc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)[C@H]1C[C@H](C1)C(O)=O |r,wU:28.35,26.30,t:24,(6.2,4.49,;5.13,3.39,;3.7,3.95,;2.29,3.33,;1.72,1.9,;.19,1.75,;-.14,.25,;1.19,-.53,;1.5,-2.04,;2.96,-2.53,;4.11,-1.51,;3.77,-.08,;5.18,.54,;6.14,-.66,;7.67,-.43,;8.63,-1.64,;8.23,1,;7.27,2.2,;5.75,1.97,;2.34,.49,;-.83,2.9,;-.34,4.36,;-1.37,5.52,;-2.87,5.21,;-3.36,3.75,;-2.34,2.59,;-3.9,6.36,;-5.43,6.45,;-5.34,7.99,;-3.8,7.9,;-6.36,9.14,;-5.88,10.6,;-7.87,8.83,)|
CC[C@@H]1N(C)c2ccc(F)cc2-c2ccnc3[nH]c(c1c23)C1=CCN(CC1)[C@H]1C[C@@H](C1)C(O)=O |wU:29.36,2.1,wD:27.31,t:25,(3.03,-4.1,;2.17,-2.82,;2.86,-1.44,;4.4,-1.46,;5.05,-2.85,;5.37,-.26,;6.84,-.74,;7.98,.3,;7.65,1.8,;8.79,2.84,;6.19,2.28,;5.04,1.24,;3.67,1.92,;3.66,3.55,;2.35,4.35,;1,3.62,;.96,2.08,;-.21,1.08,;.38,-.35,;1.91,-.23,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.34,-5.96,;-3.98,-7.46,;-2.48,-7.1,;-4.79,-8.77,;-6.33,-8.73,;-4.05,-10.12,)|
CN1CCc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)[C@H]1C[C@@H](C1)C(O)=O |r,wU:28.35,wD:26.30,t:24,(6.2,4.49,;5.13,3.39,;3.7,3.95,;2.29,3.33,;1.72,1.9,;.19,1.75,;-.14,.25,;1.19,-.53,;1.5,-2.04,;2.96,-2.53,;4.11,-1.51,;3.77,-.08,;5.18,.54,;6.14,-.66,;7.67,-.43,;8.63,-1.64,;8.23,1,;7.27,2.2,;5.75,1.97,;2.34,.49,;-.83,2.9,;-.34,4.36,;-1.37,5.52,;-2.87,5.21,;-3.36,3.75,;-2.34,2.59,;-3.9,6.36,;-3.8,7.9,;-5.34,7.99,;-5.43,6.45,;-6.36,9.14,;-5.88,10.6,;-7.87,8.83,)|
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CCC(CC1)C(C#N)C(O)=O |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-8.34,-9.46,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,)|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CC(CC(O)=O)C1 |t:24,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.34,-5.96,;-3.98,-7.46,;-4.79,-8.77,;-4.05,-10.12,;-2.51,-10.16,;-4.86,-11.44,;-2.48,-7.1,)|
CN1Cc2c([nH]c3ncc(F)c(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CC(C1)C(O)=O |t:24,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;5.01,4.3,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.34,-5.96,;-3.98,-7.46,;-2.48,-7.1,;-4.79,-8.77,;-6.33,-8.73,;-4.05,-10.12,)|
CS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N
C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N |r|
C[S@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N |r|
CS(=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F
C[S@@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F |r|
C[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F |r|
CS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
CS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N
CS(=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
C[S@@](=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r|
C[S@](=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r|
CS(=O)(Cc1cc(Cl)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N
CS(=N)(=O)Cc1cc(Cl)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Cc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Cc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
CS(=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N
CS(=N)(=O)Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
COCCS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N
C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O |r|
C[S@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O |r|
NCCS(=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F
CS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC#N
C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC#N |r|
C[S@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC#N |r|
C[S@@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F |r|
C[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F |r|
C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC(N)=O |r|
C[S@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC(N)=O |r|
Cc1cc(C[S@@](C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r|
Cc1cc(C[S@](C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r|
Cc1cc(C[S@](C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r|
Cc1cc(C[S@@](C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r|
C[S@@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N |r|
C[S@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N |r|
C[S@@](=N)(=O)Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r|
C[S@](=N)(=O)Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r|
NCC[S@@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F |r|
NCC[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F |r|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)NCC22CCCCC2)nc1
CN1CC2(CCCCC2)N(C1=O)c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)N(Cc3ccccc3)CC22CCCCC2)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC2=O)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC(=O)C2)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccccc2)nc1 |c:21|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccoc2)nc1 |c:21|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccsc2)nc1 |c:21|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1 |c:17,t:19|
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
C[C@H](COCc1nn[nH]n1)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:11.11,wD:1.0,14.18,(-10.54,-10.9,;-9.21,-10.13,;-9.21,-8.59,;-10.54,-7.82,;-11.87,-8.59,;-13.21,-7.82,;-13.37,-6.29,;-14.88,-5.97,;-15.65,-7.31,;-14.62,-8.45,;-7.87,-10.9,;-6.54,-10.13,;-6.54,-8.59,;-5.21,-7.82,;-3.87,-8.59,;-3.87,-10.13,;-5.21,-10.9,;-2.54,-7.82,;-1.21,-8.59,;-1.21,-10.13,;.13,-10.9,;1.46,-10.13,;2.79,-10.9,;1.46,-8.59,;.13,-7.82,;.13,-12.44,;1.46,-13.21,;1.46,-14.75,;.13,-15.52,;-1.21,-14.75,;-2.54,-15.52,;-3.87,-14.75,;-5.21,-15.52,;-6.54,-14.75,;-7.87,-15.52,;-7.87,-17.06,;-6.54,-17.83,;-5.21,-17.06,;-5.21,-13.98,;-5.21,-12.44,;-1.21,-13.21,)|
C[C@@H](COCc1nn[nH]n1)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:11.11,1.0,wD:14.18,(-9.44,-27.77,;-8.11,-27,;-8.11,-25.46,;-9.44,-24.69,;-10.77,-25.46,;-12.11,-24.69,;-12.27,-23.16,;-13.77,-22.84,;-14.54,-24.17,;-13.51,-25.32,;-6.77,-27.77,;-5.44,-27,;-5.44,-25.46,;-4.1,-24.69,;-2.77,-25.46,;-2.77,-27,;-4.1,-27.77,;-1.44,-24.69,;-.1,-25.46,;-.1,-27,;1.23,-27.77,;2.56,-27,;3.9,-27.77,;2.56,-25.46,;1.23,-24.69,;1.23,-29.31,;2.56,-30.08,;2.56,-31.62,;1.23,-32.39,;-.1,-31.62,;-1.44,-32.39,;-2.77,-31.62,;-4.1,-32.39,;-5.44,-31.62,;-6.77,-32.39,;-6.77,-33.93,;-5.44,-34.7,;-4.1,-33.93,;-4.1,-30.85,;-4.1,-29.31,;-.1,-30.08,)|
CCOC(=O)COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:11.10,wD:8.8,14.17,(-10.75,-3.86,;-9.41,-3.09,;-8.08,-3.86,;-6.68,-3.05,;-6.68,-1.43,;-5.35,-3.82,;-4.01,-3.05,;-2.68,-3.82,;-2.68,-5.36,;-4.01,-6.13,;-1.35,-6.13,;-.01,-5.36,;-.01,-3.82,;1.32,-3.05,;2.65,-3.82,;2.65,-5.36,;1.32,-6.13,;3.99,-3.05,;5.32,-3.82,;5.32,-5.36,;6.66,-6.13,;7.99,-5.36,;9.32,-6.13,;7.99,-3.82,;6.66,-3.05,;6.66,-7.67,;7.99,-8.44,;7.99,-9.98,;6.66,-10.75,;5.32,-9.98,;3.99,-10.75,;2.65,-9.98,;1.32,-10.75,;-.01,-9.98,;-1.35,-10.75,;-1.35,-12.29,;-.01,-13.06,;1.32,-12.29,;1.32,-9.21,;1.32,-7.67,;5.32,-8.44,)|
CCOC(=O)COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:11.10,8.8,wD:14.17,(-10.75,-3.86,;-9.41,-3.09,;-8.08,-3.86,;-6.68,-3.05,;-6.68,-1.43,;-5.35,-3.82,;-4.01,-3.05,;-2.68,-3.82,;-2.68,-5.36,;-4.01,-6.13,;-1.35,-6.13,;-.01,-5.36,;-.01,-3.82,;1.32,-3.05,;2.65,-3.82,;2.65,-5.36,;1.32,-6.13,;3.99,-3.05,;5.32,-3.82,;5.32,-5.36,;6.66,-6.13,;7.99,-5.36,;9.32,-6.13,;7.99,-3.82,;6.66,-3.05,;6.66,-7.67,;7.99,-8.44,;7.99,-9.98,;6.66,-10.75,;5.32,-9.98,;3.99,-10.75,;2.65,-9.98,;1.32,-10.75,;-.01,-9.98,;-1.35,-10.75,;-1.35,-12.29,;-.01,-13.06,;1.32,-12.29,;1.32,-9.21,;1.32,-7.67,;5.32,-8.44,)|
C[C@H](COCC(O)=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.8,wD:1.0,12.15,(-9.23,-5.55,;-7.9,-4.78,;-7.9,-3.24,;-9.23,-2.47,;-10.56,-3.24,;-11.9,-2.47,;-13.3,-3.28,;-11.9,-.86,;-6.56,-5.55,;-5.23,-4.78,;-5.23,-3.24,;-3.9,-2.47,;-2.56,-3.24,;-2.56,-4.78,;-3.9,-5.55,;-1.23,-2.47,;.1,-3.24,;.1,-4.78,;1.44,-5.55,;2.77,-4.78,;4.1,-5.55,;2.77,-3.24,;1.44,-2.47,;1.44,-7.09,;2.77,-7.86,;2.77,-9.4,;1.44,-10.17,;.1,-9.4,;-1.23,-10.17,;-2.56,-9.4,;-3.9,-10.17,;-5.23,-9.4,;-6.56,-10.17,;-6.56,-11.71,;-5.23,-12.48,;-3.9,-11.71,;-3.9,-8.63,;-3.9,-7.09,;.1,-7.86,)|
C[C@@H](COCC(O)=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:12.15,wD:9.8,1.0,(.54,-18.24,;.54,-16.7,;1.88,-15.93,;3.21,-16.7,;4.55,-15.93,;5.88,-16.7,;5.88,-18.24,;7.21,-15.93,;-.79,-15.93,;-2.12,-16.7,;-3.46,-15.93,;-4.79,-16.7,;-4.79,-18.24,;-3.46,-19.01,;-2.12,-18.24,;-6.12,-19.01,;-6.12,-20.55,;-4.79,-21.32,;-4.79,-22.86,;-6.12,-23.63,;-6.12,-25.17,;-7.46,-22.86,;-7.46,-21.32,;-3.46,-23.63,;-2.12,-22.86,;-.79,-23.63,;-.79,-25.17,;-2.12,-25.94,;-2.12,-27.48,;-.79,-28.25,;-.79,-29.79,;-.26,-31.24,;-1.25,-32.42,;-2.77,-32.15,;-3.3,-30.7,;-2.31,-29.52,;.73,-29.52,;2.24,-29.26,;-3.46,-25.17,)|
C[C@H](Cc1nnn[nH]1)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.9,wD:1.0,12.16,(-6.24,1.71,;-4.91,2.48,;-4.91,4.02,;-6.24,4.79,;-6.4,6.32,;-7.91,6.64,;-8.68,5.31,;-7.65,4.16,;-3.57,1.71,;-2.24,2.48,;-2.24,4.02,;-.91,4.79,;.43,4.02,;.43,2.48,;-.91,1.71,;1.76,4.79,;3.1,4.02,;3.1,2.48,;4.43,1.71,;5.76,2.48,;7.1,1.71,;5.76,4.02,;4.43,4.79,;4.43,.17,;5.76,-.6,;5.76,-2.14,;4.43,-2.91,;3.1,-2.14,;1.76,-2.91,;.43,-2.14,;-.91,-2.91,;-2.24,-2.14,;-3.57,-2.91,;-3.57,-4.45,;-2.24,-5.22,;-.91,-4.45,;-.91,-1.37,;-.91,.17,;3.1,-.6,)|
C[C@@H](Cc1nnn[nH]1)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.9,1.0,wD:12.16,(-3.33,-14.99,;-2,-14.22,;-2,-12.68,;-3.33,-11.91,;-3.49,-10.38,;-5,-10.06,;-5.77,-11.39,;-4.74,-12.54,;-.66,-14.99,;.67,-14.22,;.67,-12.68,;2.01,-11.91,;3.34,-12.68,;3.34,-14.22,;2.01,-14.99,;4.67,-11.91,;6.01,-12.68,;6.01,-14.22,;7.34,-14.99,;8.67,-14.22,;10.01,-14.99,;8.67,-12.68,;7.34,-11.91,;7.34,-16.53,;8.67,-17.3,;8.67,-18.84,;7.34,-19.61,;6.01,-18.84,;4.67,-19.61,;3.34,-18.84,;2.01,-19.61,;.67,-18.84,;-.66,-19.61,;-.66,-21.15,;.67,-21.92,;2.01,-21.15,;2.01,-18.07,;2.01,-16.53,;6.01,-17.3,)|
CC(C)OC(=O)COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:12.11,wD:9.9,15.18,(-10.74,-1.82,;-9.41,-1.05,;-9.41,.49,;-8.08,-1.82,;-6.74,-1.05,;-6.74,.49,;-5.41,-1.82,;-4.08,-1.05,;-2.74,-1.82,;-2.74,-3.36,;-4.08,-4.13,;-1.41,-4.13,;-.08,-3.36,;-.08,-1.82,;1.26,-1.05,;2.59,-1.82,;2.59,-3.36,;1.26,-4.13,;3.93,-1.05,;5.26,-1.82,;5.26,-3.36,;6.59,-4.13,;7.93,-3.36,;9.26,-4.13,;7.93,-1.82,;6.59,-1.05,;6.59,-5.67,;7.93,-6.44,;7.93,-7.98,;6.59,-8.75,;5.26,-7.98,;3.93,-8.75,;2.59,-7.98,;1.26,-8.75,;-.08,-7.98,;-1.41,-8.75,;-1.41,-10.29,;-.08,-11.06,;1.26,-10.29,;1.26,-7.21,;1.26,-5.79,;5.26,-6.44,)|
CC(C)OC(=O)COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:12.11,9.9,wD:15.18,(-9.89,-19.68,;-8.56,-18.91,;-8.56,-17.37,;-7.22,-19.68,;-5.89,-18.91,;-5.89,-17.37,;-4.56,-19.68,;-3.22,-18.91,;-1.89,-19.68,;-1.89,-21.22,;-3.22,-21.99,;-.56,-21.99,;.78,-21.22,;.78,-19.68,;2.11,-18.91,;3.44,-19.68,;3.44,-21.22,;2.11,-21.99,;4.78,-18.91,;6.11,-19.68,;6.11,-21.22,;7.45,-21.99,;8.78,-21.22,;10.11,-21.99,;8.78,-19.68,;7.45,-18.91,;7.45,-23.53,;8.78,-24.3,;8.78,-25.84,;7.45,-26.61,;6.11,-25.84,;4.78,-26.61,;3.44,-25.84,;2.11,-26.61,;.78,-25.84,;-.56,-26.61,;-.56,-28.15,;.78,-28.92,;2.11,-28.15,;2.11,-25.07,;2.11,-23.74,;6.11,-24.3,)|
C[C@H](COCC(=O)OC(C)(C)C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:13.12,wD:1.0,16.19,(-4.08,-4.13,;-2.74,-3.36,;-2.74,-1.82,;-4.08,-1.05,;-5.41,-1.82,;-6.74,-1.05,;-6.74,.49,;-8.08,-1.82,;-9.41,-1.05,;-10.74,-1.82,;-9.41,.49,;-10.74,-.28,;-1.41,-4.13,;-.08,-3.36,;-.08,-1.82,;1.26,-1.05,;2.59,-1.82,;2.59,-3.36,;1.26,-4.13,;3.93,-1.05,;5.26,-1.82,;5.26,-3.36,;6.59,-4.13,;7.93,-3.36,;9.26,-4.13,;7.93,-1.82,;6.59,-1.05,;6.59,-5.67,;7.93,-6.44,;7.93,-7.98,;6.59,-8.75,;5.26,-7.98,;3.93,-8.75,;2.59,-7.98,;1.26,-8.75,;-.08,-7.98,;-1.41,-8.75,;-1.41,-10.29,;-.08,-11.06,;1.26,-10.29,;1.26,-7.21,;1.26,-5.79,;5.26,-6.44,)|
C[C@@H](COCC(=O)OC(C)(C)C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:13.12,1.0,wD:16.19,(-3.22,-21.99,;-1.89,-21.22,;-1.89,-19.68,;-3.22,-18.91,;-4.56,-19.68,;-5.89,-18.91,;-5.89,-17.37,;-7.22,-19.68,;-8.56,-18.91,;-9.89,-19.68,;-8.56,-17.37,;-9.89,-18.14,;-.56,-21.99,;.78,-21.22,;.78,-19.68,;2.11,-18.91,;3.44,-19.68,;3.44,-21.22,;2.11,-21.99,;4.78,-18.91,;6.11,-19.68,;6.11,-21.22,;7.45,-21.99,;8.78,-21.22,;10.11,-21.99,;8.78,-19.68,;7.45,-18.91,;7.45,-23.53,;8.78,-24.3,;8.78,-25.84,;7.45,-26.61,;6.11,-25.84,;4.78,-26.61,;3.44,-25.84,;2.11,-26.61,;.78,-25.84,;-.56,-26.61,;-.56,-28.15,;.78,-28.92,;2.11,-28.15,;2.11,-25.07,;2.11,-23.74,;6.11,-24.3,)|
CCOC(=O)O[C@H](C)n1nnc(COC[C@@H](C)N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2cccc(NCC3(CCOCC3)C#N)n2)n1 |r,wU:18.17,6.6,wD:15.15,21.24,(-13.89,-2.48,;-12.8,-3.57,;-11.31,-3.17,;-10.22,-4.26,;-10.62,-5.75,;-8.73,-3.86,;-7.64,-4.95,;-8.04,-6.44,;-6.16,-4.55,;-5.39,-3.22,;-3.88,-3.54,;-3.72,-5.07,;-2.39,-5.84,;-1.05,-5.07,;.28,-5.84,;.28,-7.38,;-1.05,-8.15,;1.62,-8.15,;2.95,-7.38,;2.95,-5.84,;4.28,-5.07,;5.62,-5.84,;5.62,-7.38,;4.28,-8.15,;6.95,-5.07,;8.28,-5.84,;8.28,-7.38,;9.62,-8.15,;10.95,-7.38,;12.28,-8.15,;10.95,-5.84,;9.62,-5.07,;9.62,-9.69,;10.95,-10.46,;10.95,-12,;9.62,-12.77,;8.28,-12,;6.95,-12.77,;5.62,-12,;4.28,-12.77,;2.95,-12,;1.62,-12.77,;1.62,-14.31,;2.95,-15.08,;4.28,-14.31,;4.28,-11.23,;4.28,-9.69,;8.28,-10.46,;-5.13,-5.7,)|
CCOC(=O)O[C@H](C)n1nnc(COC[C@H](C)N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2cccc(NCC3(CCOCC3)C#N)n2)n1 |r,wU:18.17,15.15,6.6,wD:21.24,(-10.49,-18.25,;-9.4,-19.34,;-7.91,-18.94,;-6.82,-20.03,;-7.22,-21.52,;-5.34,-19.63,;-4.25,-20.72,;-4.65,-22.21,;-2.76,-20.32,;-1.99,-18.99,;-.48,-19.31,;-.32,-20.84,;1.01,-21.61,;2.34,-20.84,;3.68,-21.61,;3.68,-23.15,;2.34,-23.92,;5.01,-23.92,;6.34,-23.15,;6.34,-21.61,;7.68,-20.84,;9.01,-21.61,;9.01,-23.15,;7.68,-23.92,;10.35,-20.84,;11.68,-21.61,;11.68,-23.15,;13.01,-23.92,;14.35,-23.15,;15.68,-23.92,;14.35,-21.61,;13.01,-20.84,;13.01,-25.46,;14.35,-26.23,;14.35,-27.77,;13.01,-28.54,;11.68,-27.77,;10.35,-28.54,;9.01,-27.77,;7.68,-28.54,;6.34,-27.77,;5.01,-28.54,;5.01,-30.08,;6.34,-30.85,;7.68,-30.08,;7.68,-27,;7.68,-25.46,;11.68,-26.23,;-1.73,-21.47,)|
CCOC(=O)O[C@@H](C)n1nnc(COC[C@@H](C)N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2cccc(NCC3(CCOCC3)C#N)n2)n1 |r,wU:18.17,wD:15.15,6.6,21.24,(-13.89,-2.48,;-12.8,-3.57,;-11.31,-3.17,;-10.22,-4.26,;-10.62,-5.75,;-8.73,-3.86,;-7.64,-4.95,;-8.04,-6.44,;-6.16,-4.55,;-5.39,-3.22,;-3.88,-3.54,;-3.72,-5.07,;-2.39,-5.84,;-1.05,-5.07,;.28,-5.84,;.28,-7.38,;-1.05,-8.15,;1.62,-8.15,;2.95,-7.38,;2.95,-5.84,;4.28,-5.07,;5.62,-5.84,;5.62,-7.38,;4.28,-8.15,;6.95,-5.07,;8.28,-5.84,;8.28,-7.38,;9.62,-8.15,;10.95,-7.38,;12.28,-8.15,;10.95,-5.84,;9.62,-5.07,;9.62,-9.69,;10.95,-10.46,;10.95,-12,;9.62,-12.77,;8.28,-12,;6.95,-12.77,;5.62,-12,;4.28,-12.77,;2.95,-12,;1.62,-12.77,;1.62,-14.31,;2.95,-15.08,;4.28,-14.31,;4.28,-11.23,;4.28,-9.69,;8.28,-10.46,;-5.13,-5.7,)|
CCOC(=O)O[C@@H](C)n1nnc(COC[C@H](C)N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2cccc(NCC3(CCOCC3)C#N)n2)n1 |r,wU:18.17,15.15,wD:6.6,21.24,(-13.89,-2.48,;-12.8,-3.57,;-11.31,-3.17,;-10.22,-4.26,;-10.62,-5.75,;-8.73,-3.86,;-7.64,-4.95,;-8.04,-6.44,;-6.16,-4.55,;-5.39,-3.22,;-3.88,-3.54,;-3.72,-5.07,;-2.39,-5.84,;-1.05,-5.07,;.28,-5.84,;.28,-7.38,;-1.05,-8.15,;1.62,-8.15,;2.95,-7.38,;2.95,-5.84,;4.28,-5.07,;5.62,-5.84,;5.62,-7.38,;4.28,-8.15,;6.95,-5.07,;8.28,-5.84,;8.28,-7.38,;9.62,-8.15,;10.95,-7.38,;12.28,-8.15,;10.95,-5.84,;9.62,-5.07,;9.62,-9.69,;10.95,-10.46,;10.95,-12,;9.62,-12.77,;8.28,-12,;6.95,-12.77,;5.62,-12,;4.28,-12.77,;2.95,-12,;1.62,-12.77,;1.62,-14.31,;2.95,-15.08,;4.28,-14.31,;4.28,-11.23,;4.28,-9.69,;8.28,-10.46,;-5.13,-5.7,)|
CCOC(=O)O[C@H](C)n1nnnc1COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:19.19,6.6,wD:16.17,22.26,(-12.97,-7.38,;-11.48,-6.98,;-10.4,-8.07,;-8.91,-7.67,;-8.51,-6.19,;-7.82,-8.76,;-6.33,-8.36,;-5.24,-9.45,;-5.93,-6.88,;-6.96,-5.73,;-6.19,-4.4,;-4.69,-4.72,;-4.53,-6.25,;-3.19,-7.02,;-1.86,-6.25,;-.53,-7.02,;-.53,-8.56,;-1.86,-9.33,;.81,-9.33,;2.14,-8.56,;2.14,-7.02,;3.48,-6.25,;4.81,-7.02,;4.81,-8.56,;3.48,-9.33,;6.14,-6.25,;7.48,-7.02,;7.48,-8.56,;8.81,-9.33,;10.14,-8.56,;11.48,-9.33,;10.14,-7.02,;8.81,-6.25,;8.81,-10.87,;10.14,-11.64,;10.14,-13.18,;8.81,-13.95,;7.48,-13.18,;6.14,-13.95,;4.81,-13.18,;3.48,-13.95,;2.14,-13.18,;.81,-13.95,;.81,-15.49,;2.14,-16.26,;3.48,-15.49,;3.48,-12.41,;3.48,-10.87,;7.48,-11.64,)|
CCOC(=O)O[C@H](C)n1nnnc1COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:19.19,16.17,6.6,wD:22.26,(-12.97,-7.38,;-11.48,-6.98,;-10.4,-8.07,;-8.91,-7.67,;-8.51,-6.19,;-7.82,-8.76,;-6.33,-8.36,;-5.24,-9.45,;-5.93,-6.88,;-6.96,-5.73,;-6.19,-4.4,;-4.69,-4.72,;-4.53,-6.25,;-3.19,-7.02,;-1.86,-6.25,;-.53,-7.02,;-.53,-8.56,;-1.86,-9.33,;.81,-9.33,;2.14,-8.56,;2.14,-7.02,;3.48,-6.25,;4.81,-7.02,;4.81,-8.56,;3.48,-9.33,;6.14,-6.25,;7.48,-7.02,;7.48,-8.56,;8.81,-9.33,;10.14,-8.56,;11.48,-9.33,;10.14,-7.02,;8.81,-6.25,;8.81,-10.87,;10.14,-11.64,;10.14,-13.18,;8.81,-13.95,;7.48,-13.18,;6.14,-13.95,;4.81,-13.18,;3.48,-13.95,;2.14,-13.18,;.81,-13.95,;.81,-15.49,;2.14,-16.26,;3.48,-15.49,;3.48,-12.41,;3.48,-10.87,;7.48,-11.64,)|
CCOC(=O)O[C@@H](C)n1nnnc1COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:19.19,wD:16.17,6.6,22.26,(-12.97,-7.38,;-11.48,-6.98,;-10.4,-8.07,;-8.91,-7.67,;-8.51,-6.19,;-7.82,-8.76,;-6.33,-8.36,;-5.24,-9.45,;-5.93,-6.88,;-6.96,-5.73,;-6.19,-4.4,;-4.69,-4.72,;-4.53,-6.25,;-3.19,-7.02,;-1.86,-6.25,;-.53,-7.02,;-.53,-8.56,;-1.86,-9.33,;.81,-9.33,;2.14,-8.56,;2.14,-7.02,;3.48,-6.25,;4.81,-7.02,;4.81,-8.56,;3.48,-9.33,;6.14,-6.25,;7.48,-7.02,;7.48,-8.56,;8.81,-9.33,;10.14,-8.56,;11.48,-9.33,;10.14,-7.02,;8.81,-6.25,;8.81,-10.87,;10.14,-11.64,;10.14,-13.18,;8.81,-13.95,;7.48,-13.18,;6.14,-13.95,;4.81,-13.18,;3.48,-13.95,;2.14,-13.18,;.81,-13.95,;.81,-15.49,;2.14,-16.26,;3.48,-15.49,;3.48,-12.41,;3.48,-10.87,;7.48,-11.64,)|
CCOC(=O)O[C@@H](C)n1nnnc1COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:19.19,16.17,wD:6.6,22.26,(-12.97,-7.38,;-11.48,-6.98,;-10.4,-8.07,;-8.91,-7.67,;-8.51,-6.19,;-7.82,-8.76,;-6.33,-8.36,;-5.24,-9.45,;-5.93,-6.88,;-6.96,-5.73,;-6.19,-4.4,;-4.69,-4.72,;-4.53,-6.25,;-3.19,-7.02,;-1.86,-6.25,;-.53,-7.02,;-.53,-8.56,;-1.86,-9.33,;.81,-9.33,;2.14,-8.56,;2.14,-7.02,;3.48,-6.25,;4.81,-7.02,;4.81,-8.56,;3.48,-9.33,;6.14,-6.25,;7.48,-7.02,;7.48,-8.56,;8.81,-9.33,;10.14,-8.56,;11.48,-9.33,;10.14,-7.02,;8.81,-6.25,;8.81,-10.87,;10.14,-11.64,;10.14,-13.18,;8.81,-13.95,;7.48,-13.18,;6.14,-13.95,;4.81,-13.18,;3.48,-13.95,;2.14,-13.18,;.81,-13.95,;.81,-15.49,;2.14,-16.26,;3.48,-15.49,;3.48,-12.41,;3.48,-10.87,;7.48,-11.64,)|
C[C@H](COCc1nnn(C)n1)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:12.12,wD:1.0,15.19,(-4.13,-6.83,;-2.79,-6.06,;-2.79,-4.52,;-4.13,-3.75,;-5.46,-4.52,;-6.8,-3.75,;-6.96,-2.22,;-8.46,-1.9,;-9.23,-3.23,;-10.72,-3.63,;-8.2,-4.38,;-1.46,-6.83,;-.13,-6.06,;-.13,-4.52,;1.21,-3.75,;2.54,-4.52,;2.54,-6.06,;1.21,-6.83,;3.87,-3.75,;5.21,-4.52,;5.21,-6.06,;6.54,-6.83,;7.88,-6.06,;9.21,-6.83,;7.88,-4.52,;6.54,-3.75,;6.54,-8.37,;7.88,-9.14,;7.88,-10.68,;6.54,-11.45,;5.21,-10.68,;3.87,-11.45,;2.54,-10.68,;1.21,-11.45,;-.13,-10.68,;-1.46,-11.45,;-1.46,-12.99,;-.13,-13.76,;1.21,-12.99,;1.21,-9.91,;1.21,-8.48,;5.21,-9.14,)|
C[C@@H](COCc1nnn(C)n1)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:12.12,1.0,wD:15.19,(-4.13,-6.83,;-2.79,-6.06,;-2.79,-4.52,;-4.13,-3.75,;-5.46,-4.52,;-6.8,-3.75,;-6.96,-2.22,;-8.46,-1.9,;-9.23,-3.23,;-10.72,-3.63,;-8.2,-4.38,;-1.46,-6.83,;-.13,-6.06,;-.13,-4.52,;1.21,-3.75,;2.54,-4.52,;2.54,-6.06,;1.21,-6.83,;3.87,-3.75,;5.21,-4.52,;5.21,-6.06,;6.54,-6.83,;7.88,-6.06,;9.21,-6.83,;7.88,-4.52,;6.54,-3.75,;6.54,-8.37,;7.88,-9.14,;7.88,-10.68,;6.54,-11.45,;5.21,-10.68,;3.87,-11.45,;2.54,-10.68,;1.21,-11.45,;-.13,-10.68,;-1.46,-11.45,;-1.46,-12.99,;-.13,-13.76,;1.21,-12.99,;1.21,-9.91,;1.21,-8.48,;5.21,-9.14,)|
C[C@H](COCc1nnnn1C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:12.12,wD:1.0,15.19,(-14.13,-14.2,;-12.8,-13.43,;-12.8,-11.89,;-14.13,-11.12,;-15.47,-11.89,;-16.8,-11.12,;-16.96,-9.59,;-18.47,-9.27,;-19.24,-10.6,;-18.21,-11.74,;-18.6,-13.23,;-11.46,-14.2,;-10.13,-13.43,;-10.13,-11.89,;-8.8,-11.12,;-7.46,-11.89,;-7.46,-13.43,;-8.8,-14.2,;-6.13,-11.12,;-4.8,-11.89,;-4.8,-13.43,;-3.46,-14.2,;-2.13,-13.43,;-.8,-14.2,;-2.13,-11.89,;-3.46,-11.12,;-3.46,-15.74,;-2.13,-16.51,;-2.13,-18.05,;-3.46,-18.82,;-4.8,-18.05,;-6.13,-18.82,;-7.46,-18.05,;-8.8,-18.82,;-10.13,-18.05,;-11.46,-18.82,;-11.46,-20.36,;-10.13,-21.13,;-8.8,-20.36,;-8.8,-17.28,;-8.8,-15.74,;-4.8,-16.51,)|
C[C@@H](COCc1nnnn1C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:12.12,1.0,wD:15.19,(-14.13,-14.2,;-12.8,-13.43,;-12.8,-11.89,;-14.13,-11.12,;-15.47,-11.89,;-16.8,-11.12,;-16.96,-9.59,;-18.47,-9.27,;-19.24,-10.6,;-18.21,-11.74,;-18.6,-13.23,;-11.46,-14.2,;-10.13,-13.43,;-10.13,-11.89,;-8.8,-11.12,;-7.46,-11.89,;-7.46,-13.43,;-8.8,-14.2,;-6.13,-11.12,;-4.8,-11.89,;-4.8,-13.43,;-3.46,-14.2,;-2.13,-13.43,;-.8,-14.2,;-2.13,-11.89,;-3.46,-11.12,;-3.46,-15.74,;-2.13,-16.51,;-2.13,-18.05,;-3.46,-18.82,;-4.8,-18.05,;-6.13,-18.82,;-7.46,-18.05,;-8.8,-18.82,;-10.13,-18.05,;-11.46,-18.82,;-11.46,-20.36,;-10.13,-21.13,;-8.8,-20.36,;-8.8,-17.28,;-8.8,-15.74,;-4.8,-16.51,)|
C[C@H](COCCNS(=O)(=O)C(F)(F)F)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:15.14,wD:1.0,18.21,(-7.61,-23.09,;-6.28,-22.32,;-6.28,-20.78,;-7.61,-20.01,;-8.95,-20.78,;-10.28,-20.01,;-11.61,-20.78,;-12.95,-20.01,;-12.18,-18.68,;-13.72,-21.34,;-14.28,-19.24,;-15.62,-20.01,;-14.28,-17.7,;-15.62,-18.47,;-4.95,-23.09,;-3.61,-22.32,;-3.61,-20.78,;-2.28,-20.01,;-.94,-20.78,;-.94,-22.32,;-2.28,-23.09,;.39,-20.01,;1.72,-20.78,;1.72,-22.32,;3.06,-23.09,;4.39,-22.32,;5.72,-23.09,;4.39,-20.78,;3.06,-20.01,;3.06,-24.63,;4.39,-25.4,;4.39,-26.94,;3.06,-27.71,;1.72,-26.94,;.39,-27.71,;-.94,-26.94,;-2.28,-27.71,;-3.61,-26.94,;-4.95,-27.71,;-4.95,-29.25,;-3.61,-30.02,;-2.28,-29.25,;-2.28,-26.17,;-2.28,-24.82,;1.72,-25.4,)|
CC(COCCNS(=O)(=O)C(F)F)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:14.13,wD:17.20,(-2.67,-6.2,;-1.33,-5.43,;-1.33,-3.89,;-2.67,-3.12,;-4,-3.89,;-5.33,-3.12,;-6.67,-3.89,;-8,-3.12,;-7.23,-1.78,;-8.77,-4.45,;-9.34,-2.35,;-10.67,-3.12,;-9.34,-.81,;0,-6.2,;1.33,-5.43,;1.33,-3.89,;2.67,-3.12,;4,-3.89,;4,-5.43,;2.67,-6.2,;5.34,-3.12,;6.67,-3.89,;6.67,-5.43,;8,-6.2,;9.34,-5.43,;10.67,-6.2,;9.34,-3.89,;8,-3.12,;8,-7.74,;9.34,-8.51,;9.34,-10.05,;8,-10.82,;6.67,-10.05,;5.34,-10.82,;4,-10.05,;2.67,-10.82,;1.33,-10.05,;0,-10.82,;0,-12.36,;1.33,-13.13,;2.67,-12.36,;2.67,-9.28,;2.67,-7.74,;6.67,-8.51,)|
NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|
CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|
CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|
CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)Nc1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)C(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CS(=N)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3NNC(=O)C4(CCCCC4)n3c2n1
Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3C(=O)NCC4(CCCCC4)n3c2n1
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)Cc2cscn2)ncc1Cl |r|
COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NS(C)(=O)=O)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCOCC2)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCN(C)CC2)ncc1Cl |r|
CNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N(C)C)ncc1Cl |r|
CCNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CONC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1Cl |r|
CC(O)CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CC(=O)N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2nc3CCC(C)(C)n3c2c1 |r|
CCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CCC(=O)N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2nc3CCC(C)(C)n3c2c1 |r|
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r|
COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NS(C)(=O)=O)ncc1Cl |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1C |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CC[C@H](C2)NC(C)=O)ncc1C |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc2c(N=C(C)C22CCCC2)c(F)c1 |r,t:26|
CC(C)c1snc2ccc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC1CCn2nc3ccc(cc3c12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N(C)C)ncc1C |r|
CCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r|
CC(C)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r|
COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CN(C)C)ncc1C |r|
COC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NS(C)(=O)=O)ncc1C |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(F)CC2)ncc1C |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1C |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2CN(C)C2)ncc1C |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@H]2C[C@H](O)C2)ncc1C |r,wU:28.30,wD:19.20,23.27,30.33,(-1.26,5.26,;-2.29,4.11,;-1.82,2.65,;-3.8,4.43,;-4.43,5.84,;-5.96,5.68,;-6.28,4.17,;-7.61,3.4,;-8.95,4.17,;-7.61,1.86,;-6.28,1.09,;-4.94,1.86,;-4.94,3.4,;-6.28,-.45,;-4.94,-1.22,;-4.94,-2.76,;-3.61,-3.53,;-2.28,-2.76,;-2.28,-1.22,;-.94,-3.53,;-.94,-5.07,;.39,-5.84,;1.72,-5.07,;1.72,-3.53,;.39,-2.76,;3.06,-2.76,;4.39,-3.53,;4.39,-5.07,;5.73,-2.76,;6.12,-1.27,;7.61,-1.67,;8.95,-.9,;7.21,-3.16,;-6.28,-3.53,;-7.61,-2.76,;-7.61,-1.22,;-8.95,-.45,)|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CO)ncc1C |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C3COC3)c2c1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C3CC3)c2c1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(CC3CC3)c2c1 |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CC[C@H](O)C2)ncc1C |r|
CNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCOCC2)ncc1C |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCN(C)CC2)ncc1C |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NS(C)(=N)=O)ncc1C |r|
CNC(=O)[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)C2CCCC(C2)C#N)ncc1C
CC(n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N(C)C)ncc1C)C(F)(F)F |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2nn3CCC(C)(C)c3c2c1 |r|
CC(CO)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(c2c1)C(C)(C)O |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C3CC3)c2c1 |r|
CC(C)c1n(C)nc2ccc(nc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1C |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(F)CC2)ncc1Cl |r|
COc1ncccc1C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)c2cc(C)on2)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)c2ccc(C)nc2)ncc1Cl |r|
COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2C[C@H](O)C2)ncc1C |r,wD:20.21,24.28,29.31,31.34,(-1.26,4.59,;-2.29,3.44,;-1.82,1.98,;-3.8,3.76,;-4.43,5.17,;-3.66,6.51,;-5.96,5.01,;-6.28,3.5,;-7.61,2.73,;-8.95,3.5,;-7.61,1.19,;-6.28,.42,;-4.94,1.19,;-4.94,2.73,;-6.28,-1.12,;-4.94,-1.89,;-4.94,-3.43,;-3.61,-4.2,;-2.28,-3.43,;-2.28,-1.89,;-.94,-4.2,;-.94,-5.74,;.39,-6.51,;1.72,-5.74,;1.72,-4.2,;.39,-3.43,;3.06,-3.43,;4.39,-4.2,;4.39,-5.74,;5.73,-3.43,;6.12,-1.94,;7.61,-2.34,;8.95,-1.57,;7.21,-3.82,;-6.28,-4.2,;-7.61,-3.43,;-7.66,-1.86,;-8.99,-1.09,)|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)c2cc(C)on2)ncc1C |r|
COc1ncccc1C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1C |r|
CCNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCC2)c1 |r|
COC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)OC2CCOCC2)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)OCc2ccn(C)n2)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)OCC2CC2(F)F)ncc1Cl |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(c2c1)C(C)(O)C(F)(F)F |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(c2c1)C(C)(O)C(F)F |r|
Cc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)cc1-c1cc(F)c2nn(C)c(c2c1)[C@@](C)(O)C(F)(F)F |r|
Cc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)cc1-c1cc(F)c2nn(C)c(c2c1)[C@](C)(O)C(F)(F)F |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2nn(C)c(c2c1)C(C)(O)C(F)(F)F |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2nn(C)c(c2c1)C(C)(O)C(F)F |r|
Cc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)cc1-c1cc(F)c2nn(C)c(c2c1)C(C)(O)C(F)F |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1C |r|
COc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)cc1-c1cc(F)c2ncn(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C23CC(C2)C3)ncc1Cl |r|
CC(C)n1nnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(C)n1cnc2ccc(nc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC1(C)COCc2nc3c(F)cc(cc3n12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1Cl |r|
Cn1nc2c(F)cc(cc2c1C(C)(C)O)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1Cl |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(C)n1cnc2c(F)cc(cc12)-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCCC1=O |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCC1=O |r|
CN1CCC[C@@H](C1)Nc1ncc(c(n1)-c1c[nH]c2cc(ccc12)N1CCCC1=O)C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCOC1=O |r|
CC1(C)COC(Nc2ccc3c(c[nH]c3c2Br)-c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)=N1 |r,c:37|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(NC(=O)C3CC3)ccc12 |r|
CC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CC(=O)Nc1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(NC(=O)C3CC3)ccc12 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCOC1=O |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)N1CCCC1=O |r|
COC(=O)Nc1ccc2c(c[nH]c2c1P(C)(C)=O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CC(=O)Nc1ccc2c(c[nH]c2c1P(C)(C)=O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCC1=O |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3(CNC3)C2)ncc1C(F)(F)F
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@H](N)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H](N)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@H](N)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@@H](N)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2[C@H]3CNC[C@@H]23)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2[C@H]3CNC[C@@H]23)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2C3CCNC23)ncc1C(F)(F)F
COC(=O)Nc1ccc2c(c[nH]c2c1C#N)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3CNCC3C2)ncc1C(F)(F)F
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H](O)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3(CC(N)C3)C2)ncc1C(F)(F)F |(-8.58,5.38,;-8.58,3.84,;-7.25,3.07,;-7.25,1.53,;-5.91,3.84,;-4.58,3.07,;-4.58,1.53,;-3.25,.76,;-1.91,1.53,;-.45,1.06,;.46,2.3,;-.45,3.55,;-1.91,3.07,;-3.25,3.84,;-3.25,5.38,;-.05,-.43,;1.44,-.83,;1.84,-2.32,;3.32,-2.72,;4.41,-1.63,;5.95,-1.63,;5.95,-.09,;7.49,-.09,;7.49,1.45,;8.58,2.54,;5.95,1.45,;4.41,-.09,;.75,-3.41,;-.74,-3.01,;-1.14,-1.52,;-2.63,-1.12,;-3.03,.36,;-3.72,-2.21,;-4.11,-.72,)|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(F)(F)F |r|
CC(C)OC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1-c1ccccc1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COCCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)(=O)C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)(=O)C(C)C)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1SC(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H]2N)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1-c1cnn(C)c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1Br |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1COC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|
COC(=O)Nc1ccc2c(c[nH]c2c1CC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1Cl |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC(F)(F)C1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCC(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=O)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=O)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
CCOc1c(NC(=O)OC)ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|
CCOc1c(NC(=O)OC)ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(N[C@@H]2CCC[C@@]2(C)O)n1 |r|
CS(=O)(=O)N1CCC(CC1)Sc1ncc2ccnc(C3CCCC3O)c2n1
Cc1cn(C)nc1Nc1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C(F)F
Cn1cc(Cl)c(Nc2nc(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)F)n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@H]3CCCC3(F)F)c2n1)C(F)F |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@@H]3CCCC3(F)F)c2n1)C(F)F |r|
C[C@@H]1CN(CC[C@@H]1Nc1ncc2cc(nc(N[C@H]3CCCC3(F)F)c2n1)C(F)F)C(=O)OC(C)(C)C |r|
C1CC1c1cnn2ccc(nc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:18.20,wD:21.27,(6.45,-6.29,;7.79,-5.52,;6.45,-4.75,;5.68,-3.42,;6.59,-2.18,;5.68,-.93,;4.22,-1.41,;2.88,-.64,;1.55,-1.41,;1.55,-2.95,;2.88,-3.72,;4.22,-2.95,;.22,-3.72,;.22,-5.26,;-1.12,-6.03,;-2.45,-5.26,;-2.45,-3.72,;-3.78,-2.95,;-3.78,-1.41,;-5.12,-.64,;-5.12,.9,;-3.78,1.67,;-2.45,.9,;-2.45,-.64,;-3.78,3.21,;-5.12,3.98,;-6.45,3.21,;-7.79,3.98,;-7.79,5.52,;-6.45,6.29,;-5.12,5.52,;-1.12,-2.95,)|
C1CC(C1)c1cnn2ccc(nc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:19.21,wD:22.28,(7.46,-6.47,;5.98,-6.07,;6.38,-4.58,;7.86,-4.98,;5.61,-3.25,;6.51,-2,;5.61,-.76,;4.14,-1.23,;2.81,-.46,;1.47,-1.23,;1.47,-2.77,;2.81,-3.54,;4.14,-2.77,;.14,-3.54,;.14,-5.08,;-1.19,-5.85,;-2.53,-5.08,;-2.53,-3.54,;-3.86,-2.77,;-3.86,-1.23,;-5.2,-.46,;-5.2,1.08,;-3.86,1.85,;-2.53,1.08,;-2.53,-.46,;-3.86,3.39,;-5.2,4.16,;-6.53,3.39,;-7.86,4.16,;-7.86,5.7,;-6.53,6.47,;-5.2,5.7,;-1.19,-2.77,)|
CC(C)c1cnn2ccc(nc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:18.19,wD:21.26,(7.68,-5.44,;6.19,-5.04,;5.1,-6.13,;5.79,-3.56,;6.7,-2.31,;5.79,-1.06,;4.33,-1.54,;2.99,-.77,;1.66,-1.54,;1.66,-3.08,;2.99,-3.85,;4.33,-3.08,;.33,-3.85,;.33,-5.39,;-1.01,-6.16,;-2.34,-5.39,;-2.34,-3.85,;-3.68,-3.08,;-3.68,-1.54,;-5.01,-.77,;-5.01,.77,;-3.68,1.54,;-2.34,.77,;-2.34,-.77,;-3.68,3.08,;-5.01,3.85,;-6.34,3.08,;-7.68,3.85,;-7.68,5.39,;-6.34,6.16,;-5.01,5.39,;-1.01,-3.08,)|
O[C@@H]1CNCC[C@H]1CNc1nccc(n1)-c1ccn2ncc(C3CC3)c2n1 |r|
O[C@@H]1CNCC[C@H]1CNc1nccc(n1)-c1ccn2ncc(C3CCC3)c2n1 |r|
CC(C)c1cnn2ccc(nc12)-c1ccnc(NC[C@@H]2CCNC[C@H]2O)n1 |r|
O[C@@H]1CNCC[C@H]1CNc1nccc(n1)-c1ccn2nccc2n1 |r|
C1CC(CCN1)Nc1nccc(n1)-c1ccn2nccc2n1
N[C@H]1CC[C@H](C1)Nc1nccc(n1)-c1ccn2nccc2n1 |r|
C1CC(CCO1)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1ccn2nccc2n1 |r,wU:10.14,wD:7.7,(-5.85,6.16,;-4.52,5.39,;-4.52,3.85,;-5.85,3.08,;-7.19,3.85,;-7.19,5.39,;-3.19,3.08,;-3.19,1.54,;-4.52,.77,;-4.52,-.77,;-3.19,-1.54,;-1.85,-.77,;-1.85,.77,;-3.19,-3.08,;-1.85,-3.85,;-1.85,-5.39,;-.52,-6.16,;.82,-5.39,;.82,-3.85,;-.52,-3.08,;2.15,-3.08,;2.15,-1.54,;3.48,-.77,;4.82,-1.54,;6.28,-1.06,;7.19,-2.31,;6.28,-3.56,;4.82,-3.08,;3.48,-3.85,)|
N[C@H]1CC[C@@H](C1)Nc1nccc(n1)-c1ccn2nccc2n1 |r|
Cc1cnn2ccc(nc12)-c1ccnc(N[C@H]2CC[C@H](N)C2)n1 |r|
Cc1cc2nc(ccn2n1)-c1ccnc(N[C@H]2CC[C@H](N)C2)n1 |r|
CC(C)c1cnn2ccc(nc12)-c1ccnc(N[C@H]2CC[C@H](N)C2)n1 |r|
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
C[C@H](C(=O)NO)NC(=O)[C@H](CCN(CC1CCCC1)CC(=O)O)NC(=O)C
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=N)=O)ccn2)ncc1F
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
COCCN[C@H]1CCC(CC1)Nc1nccc(n1)-c1ccc2C(=O)NCCc2c1 |r,wD:5.4,(4.5,-3.86,;4.1,-5.35,;2.62,-5.75,;1.53,-4.66,;.04,-5.06,;-1.05,-3.97,;-.65,-2.48,;-1.74,-1.39,;-3.23,-1.79,;-3.63,-3.28,;-2.54,-4.37,;-4.32,-.7,;-3.92,.78,;-5.01,1.87,;-4.61,3.36,;-3.12,3.76,;-2.03,2.67,;-2.43,1.18,;-.54,3.07,;-.15,4.56,;1.34,4.95,;2.43,3.86,;3.92,4.26,;4.32,5.75,;5.01,3.17,;4.61,1.69,;3.12,1.29,;2.03,2.38,;.54,1.98,)|
COCCN[C@H]1CCC(CC1)Nc1nccc(n1)-c1ccc2C(=O)NCC(C)(C)c2c1 |r,wD:5.4,(4.5,-3.86,;4.1,-5.35,;2.62,-5.75,;1.53,-4.66,;.04,-5.06,;-1.05,-3.97,;-.65,-2.48,;-1.74,-1.39,;-3.23,-1.79,;-3.63,-3.28,;-2.54,-4.37,;-4.32,-.7,;-3.92,.78,;-5.01,1.87,;-4.61,3.36,;-3.12,3.76,;-2.03,2.67,;-2.43,1.18,;-.54,3.07,;-.15,4.56,;1.34,4.95,;2.43,3.86,;3.92,4.26,;4.32,5.75,;5.01,3.17,;4.61,1.69,;3.12,1.29,;2.03,.2,;3.52,-.2,;2.03,2.38,;.54,1.98,)|
COCCN[C@H]1CCC(CC1)Nc1ncc(F)c(n1)-c1ccc2C(=O)NC(C)(C)c2c1 |r,wD:5.4,(6,-5.59,;4.67,-4.82,;3.33,-5.59,;2,-4.82,;.67,-5.59,;-.67,-4.82,;-.67,-3.28,;-2,-2.51,;-3.33,-3.28,;-3.33,-4.82,;-2,-5.59,;-4.67,-2.51,;-4.67,-.97,;-6,-.2,;-6,1.34,;-4.67,2.11,;-4.67,3.65,;-3.33,1.34,;-3.33,-.2,;-2,2.11,;-2,3.65,;-.67,4.42,;.67,3.65,;2.13,4.13,;2.61,5.59,;3.04,2.88,;2.13,1.63,;2.61,.17,;3.62,1.24,;.67,2.11,;-.67,1.34,)|
COCCN[C@H]1CCC(CC1)Nc1ncc(Cl)c(n1)-c1ccc2C(=O)NC(C)(C)c2c1 |r,wD:5.4,(6,-5.59,;4.67,-4.82,;3.33,-5.59,;2,-4.82,;.67,-5.59,;-.67,-4.82,;-.67,-3.28,;-2,-2.51,;-3.33,-3.28,;-3.33,-4.82,;-2,-5.59,;-4.67,-2.51,;-4.67,-.97,;-6,-.2,;-6,1.34,;-4.67,2.11,;-4.67,3.65,;-3.33,1.34,;-3.33,-.2,;-2,2.11,;-2,3.65,;-.67,4.42,;.67,3.65,;2.13,4.13,;2.61,5.59,;3.04,2.88,;2.13,1.63,;2.61,.17,;3.62,1.24,;.67,2.11,;-.67,1.34,)|
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2cccc(CS(N)(=O)=O)c2)n1
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
CN(C)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccc3C(=O)NCC(C)(C)c3c2)c1
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)n1
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2ccc(F)c(NS(C)(=O)=O)c2)n1
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2ccc(F)c(CS(C)(=O)=O)c2)n1
CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2ccc3C(=O)NCC(C)(C)c3c2)c1
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc3C(=O)NCC(C)(C)c3c2)cc1
CN1CCC(CC1)NC(=O)c1cc(Nc2nccc(n2)-c2ccc3C(=O)NCC(C)(C)c3c2)ccc1F
Cc1ccc(Nc2nccc(n2)-c2ccc3C(=O)NCC(C)(C)c3c2)cc1CS(C)(=O)=O
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2ccc(c(CS(C)(=O)=O)c2)C(F)(F)F)n1
CC1(C)NC(=O)c2ccc(cc12)-c1ccnc(Nc2ccc(F)c(CS(C)(=O)=O)c2)n1
CC1(C)NC(=O)c2ccc(cc12)-c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
CC1(C)NC(=O)c2ccc(cc12)-c1nc(Nc2ccc(F)c(CS(C)(=O)=O)c2)ncc1F
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2ccnc(CS(C)(=O)=O)c2)n1
CN1CCN(CC1)c1cc(Nc2ncc(F)c(n2)-c2ccc3C(=O)NCC(C)(C)c3c2)ccc1F
CN1CCN(CC1)c1cc(Nc2nccc(n2)-c2ccc3C(=O)NCC(C)(C)c3c2)ccc1C
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2C(=O)NCC(C)(C)c2c1 |r|
CC1(C)CNC(=O)c2ccc(cc12)-c1nc(Nc2ccc(CS(C)(=O)=O)cn2)ncc1Cl
CC1(C)CNC(=O)c2ccc(cc12)-c1nc(Nc2ccc(CS(C)(=O)=O)cn2)ncc1F
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(N[C@@H]2CCCN(C2)S(C)(=O)=O)n1 |r|
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(NC2CCN(CC2)S(C)(=O)=O)n1
CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(NC2CCN(CC(O)=O)CC2)n1
CC(C)c1noc2ccc3cnc(N[C@H]4CC[C@@H](CC4)NC4CCOCC4)nc3c12 |r,wU:14.13,wD:17.20,(1.86,19.83,;1.38,21.29,;-.12,21.61,;2.42,22.44,;3.95,22.27,;4.57,23.68,;3.43,24.71,;3.43,26.25,;2.1,27.02,;.76,26.25,;-.57,27.02,;-1.91,26.25,;-1.91,24.71,;-3.24,23.94,;-3.24,22.4,;-1.91,21.63,;-1.91,20.09,;-3.24,19.32,;-4.57,20.09,;-4.57,21.63,;-3.24,17.78,;-1.91,17.01,;-1.91,15.47,;-.57,14.7,;.76,15.47,;.76,17.01,;-.57,17.78,;-.57,23.94,;.76,24.71,;2.1,23.94,)|
CC(C)c1noc2ccc3cnc(N[C@H]4CC[C@@H](CC4)NC4CCNCC4)nc3c12 |r,wU:14.13,wD:17.20,(1.86,4.34,;1.38,5.81,;-.12,6.13,;2.42,6.95,;3.95,6.79,;4.57,8.2,;3.43,9.23,;3.43,10.77,;2.1,11.54,;.76,10.77,;-.57,11.54,;-1.91,10.77,;-1.91,9.23,;-3.24,8.46,;-3.24,6.92,;-1.91,6.15,;-1.91,4.61,;-3.24,3.84,;-4.57,4.61,;-4.57,6.15,;-3.24,2.3,;-1.91,1.53,;-1.91,-.01,;-.57,-.78,;.76,-.01,;.76,1.53,;-.57,2.3,;-.57,8.46,;.76,9.23,;2.1,8.46,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)NC4CCOCC4)nc3c12 |r,wU:14.13,wD:17.20,(-.15,.8,;1.36,.47,;1.82,-1,;2.39,1.61,;3.93,1.45,;4.55,2.85,;3.41,3.88,;3.41,5.42,;2.07,6.19,;.74,5.42,;-.59,6.19,;-1.93,5.42,;-1.93,3.88,;-3.22,3.05,;-3.22,1.51,;-1.88,.74,;-1.88,-.8,;-3.22,-1.57,;-4.55,-.8,;-4.55,.74,;-3.22,-3.11,;-1.88,-3.88,;-1.88,-5.42,;-.55,-6.19,;.78,-5.42,;.78,-3.88,;-.55,-3.11,;-.59,3.11,;.74,3.88,;2.07,3.11,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)N4CCN(CC5CCCC5)CC4)nc3c12 |r,wU:14.13,wD:17.20,(-.15,2.91,;1.36,2.58,;1.82,1.11,;2.39,3.72,;3.93,3.56,;4.55,4.96,;3.41,5.99,;3.41,7.53,;2.07,8.3,;.74,7.53,;-.59,8.3,;-1.93,7.53,;-1.93,5.99,;-3.22,5.16,;-3.22,3.62,;-1.88,2.85,;-1.88,1.31,;-3.22,.54,;-4.55,1.31,;-4.55,2.85,;-3.22,-1,;-4.55,-1.77,;-4.55,-3.31,;-3.22,-4.08,;-3.22,-5.62,;-1.88,-6.39,;-1.78,-7.93,;-.28,-8.3,;.53,-7,;-.46,-5.82,;-1.88,-3.31,;-1.88,-1.77,;-.59,5.22,;.74,5.99,;2.07,5.22,)|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(Cl)cnn12)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2ccnn12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C#N)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
C[C@@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
C[C@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C1CCCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C1CC1)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(F)cnn12)C(C1CC1)C1CC1 |r|
CCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3nccc3n2)CC1 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C=C |r|
CCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)CC2)n2nccc2n1 |r,wU:9.9,wD:12.13,(-2.56,-4.62,;-2.56,-3.08,;-3.9,-2.31,;-5.44,-2.31,;-4.67,-.98,;-1.23,-2.31,;-1.23,-.77,;.1,,;.1,1.54,;1.44,2.31,;1.44,3.85,;2.77,4.62,;4.1,3.85,;5.44,4.62,;4.1,2.31,;2.77,1.54,;1.44,-.77,;2.9,-.29,;3.81,-1.54,;2.9,-2.79,;1.44,-2.31,;.1,-3.08,)|
CC(C1CC1)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC(F)(F)C2)nc2ccnn12 |r|
CC(C)c1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC(c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
C[C@@H](c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
C[C@H](c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
CC(c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
C[C@@H](c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
C[C@H](c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3ncc(Cl)c3n2)CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC(C1CC1)c1cc(NC2CCNC2)n2ncc(F)c2n1
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C(F)(F)F)C(C1CC1)C1CC1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C1CC1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(F)c2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)(F)C1CC1 |r|
CC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC(C)(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)[C@@H](F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)[C@H](F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CCCC1 |r|
CCC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C1CC1)c1cc(NC2CCN(N)C2)n2ncc(Cl)c2n1
COC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
COC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CCC2)nc2ccnn12 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CCC3)nc12 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CC3)nc12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2c(F)cnn12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2c(Cl)cnn12 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C)(CC=C)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(F)c2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C=C)c2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(Cl)cnn12)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,wD:11.12,(-3.99,-5.66,;-3.99,-4.12,;-5.32,-3.35,;-6.86,-3.35,;-6.09,-2.02,;-2.65,-3.35,;-2.65,-1.81,;-1.32,-1.04,;-1.32,.5,;.01,1.27,;.41,2.76,;1.96,2.34,;3.31,3.09,;1.5,.87,;.01,-1.81,;1.48,-1.33,;2.38,-2.58,;1.48,-3.82,;.01,-3.35,;-1.32,-4.12,)|
C[C@@H](C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,1.0,wD:11.12,(-2.17,-4.39,;-2.17,-2.85,;-3.51,-2.08,;-4.28,-.75,;-5.05,-2.08,;-.84,-2.08,;-.84,-.54,;.49,.23,;.49,1.77,;1.83,2.54,;2.23,4.02,;3.71,3.62,;5.05,4.39,;3.32,2.14,;1.83,-.54,;3.29,-.07,;4.2,-1.31,;3.29,-2.56,;1.83,-2.08,;.49,-2.85,)|
C[C@H](C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,wD:11.12,1.0,(-2.17,-4.39,;-2.17,-2.85,;-3.51,-2.08,;-4.28,-.75,;-5.05,-2.08,;-.84,-2.08,;-.84,-.54,;.49,.23,;.49,1.77,;1.83,2.54,;2.23,4.02,;3.71,3.62,;5.05,4.39,;3.32,2.14,;1.83,-.54,;3.29,-.07,;4.2,-1.31,;3.29,-2.56,;1.83,-2.08,;.49,-2.85,)|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
C[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
C[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2ncc(Cl)c2n1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2nccc2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C(F)(F)F)C(C1CC1)C1CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(C)=N)n2nccc2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2ncc(F)c2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(C)=N)n2ncc(F)c2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(F)cnn12)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@@H]2C[C@H](N)C2)n2nccc2n1 |r,wD:9.9,11.12,(-3.85,1.94,;-2.53,2.73,;-2.53,4.27,;-3.3,5.61,;-1.76,5.61,;-1.19,1.99,;-1.19,.45,;.15,-.32,;.15,-1.86,;-.94,-2.95,;-.94,-4.49,;-2.48,-4.49,;-3.54,-5.61,;-2.48,-2.95,;1.48,.45,;2.95,-.02,;3.85,1.22,;2.95,2.47,;1.48,1.99,;.15,2.76,)|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r|
C[C@@H]1CN([C@H](C)CO1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
OC1CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
OCC1CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2COCC2C1 |r|
CC1(O)CCN(C1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCC2(CCOC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(COC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(CCOC2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCC2(CCOCC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(C1)CCOC2 |r|
C[C@@H]1OCC2(CCN(CC2)c2ccc3c(c[nH]c3n2)-c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)[C@@H]1N |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1C[C@@H]2C[C@H]1CO2 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(COC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(COC2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(CCO2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(C1)CCCOC2 |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
C[C@@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC(CC1)C#N |r|
CC1(CN(C1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F)C#N |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCOCC1 |r|
CC1(O)CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCN(CC1)C1COC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCS(=O)(=O)CC1 |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCOCC1 |r,t:30|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCOCC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCOC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCCCO1
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C12CC1COCC2 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2CCC1CO2 |r|
FC(F)(F)[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2CC(C1)O2 |r|
FC(F)(F)c1cnc(N[C@@H]2[C@@H]3CC[C@H]2NC3)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r|
FC(F)(F)c1cnc(N[C@@H]2CN3CCC2CC3)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r,wD:9.8,(4.34,1.3,;4.82,-.17,;6.33,-.49,;5.85,.98,;3.79,-1.31,;4.27,-2.78,;3.23,-3.92,;1.73,-3.6,;.7,-4.74,;-.81,-4.42,;-1.84,-5.57,;-3.35,-5.25,;-3.82,-3.78,;-2.79,-2.64,;-1.28,-2.96,;-2.44,-3.28,;-3.14,-3.87,;1.25,-2.14,;2.28,-.99,;1.81,.47,;2.71,1.72,;1.81,2.97,;.34,2.49,;-.99,3.26,;-2.32,2.49,;-2.32,.95,;-.99,.18,;.34,.95,;-3.66,3.26,;-3.66,4.8,;-4.99,5.57,;-6.33,4.8,;-6.33,3.26,;-4.99,2.49,)|
CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCOCC1)C(F)(F)F |r|
C[C@H]1CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCCOC[C@@H]1C)C(F)(F)F |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNCC(F)(F)C2)ncc1C(F)(F)F |r|
C[C@H]1CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCCOC[C@@H]1C)C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNC[C@@H](F)C2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNC[C@H](F)C2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1nc2[nH]cc(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c2cc1F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)N1CCCC1
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1C2CC1COC2 |r|
CC[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCOC1 |r,t:30|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCCCO1 |r,t:30|
CC1COCCC1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CP(C)(=O)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
C[C@@H]1CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCOC[C@@H]1C)C(F)(F)F |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3CCCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(O[C@H]3CCCC[C@H]3O)n2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(O[C@H]3CCCC[C@@H]3O)n2)cc1 |r|
C[C@@]1(O)CCC[C@@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CC(F)(F)C[C@@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CC(F)(F)C[C@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@@H]1Oc1nc(N[C@@H]2CCN(C[C@@H]2F)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@@H]1Oc1nc(N[C@@H]2CCN(C[C@H]2F)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@H]1Oc1nc(N[C@@H]2CCN(C[C@@H]2F)S(C)(=O)=O)ncc1C#N |r|
C[C@@]1(O)CCC[C@H]1Oc1nc(N[C@@H]2CCN(C[C@H]2F)S(C)(=O)=O)ncc1C#N |r|
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(O[C@H]2CCC(F)(F)C[C@@]2(C)O)n1 |r|
CC1(COc2nc(NC3CCN(CC3)S(=O)(=O)c3cn[nH]c3)ncc2C#N)CCCC1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3CCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3)n2)cc1
CC1CCCC1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
CC1(COc2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2C#N)CCCC1
CC1(COc2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2C#N)CCCCC1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3(CO)CCCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3(CO)CCCCC3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3CO)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OCC3CCCC3O)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3O)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC(O)C3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCCCC3O)n2)cc1
CC1(O)CCCC1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
CC1(O)CCCCC1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
O[C@@H]1CCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CCC2)ncc1C#N |r|
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCC[C@H]3O)n2)cc1 |r|
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCC[C@H]3O)n2)cc1 |r|
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3)n2)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCC(O)C3)n2)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCCC3O)n2)cc1
OC1CCCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2C[C@H](F)C2)ncc1C#N |r,wD:24.26,(5.28,3.85,;3.95,3.08,;2.62,3.85,;1.28,3.08,;1.28,1.54,;2.62,.77,;3.95,1.54,;5.28,.77,;5.28,-.77,;3.95,-1.54,;3.95,-3.08,;2.62,-3.85,;1.28,-3.08,;1.28,-1.54,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;-2.72,-.77,;-2.72,.77,;-3.81,-1.86,;-4.21,-.37,;-5.69,-.77,;-6.46,-2.1,;-7.8,-1.33,;-9.28,-1.73,;-7.03,,;5.28,-3.85,;6.62,-3.08,;6.62,-1.54,;7.95,-.77,;9.28,,)|
OC1CCCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC(F)C2)ncc1C#N |(5.28,3.85,;3.95,3.08,;2.62,3.85,;1.28,3.08,;1.28,1.54,;2.62,.77,;3.95,1.54,;5.28,.77,;5.28,-.77,;3.95,-1.54,;3.95,-3.08,;2.62,-3.85,;1.28,-3.08,;1.28,-1.54,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;-2.72,-.77,;-2.72,.77,;-3.81,-1.86,;-4.21,-.37,;-5.69,-.77,;-7.03,,;-7.8,-1.33,;-9.28,-1.73,;-6.46,-2.1,;5.28,-3.85,;6.62,-3.08,;6.62,-1.54,;7.95,-.77,;9.28,,)|
OC1CCCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC(F)(F)C2)ncc1C#N
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCOCC3)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)cc1
CCS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
CC1(O)CCCC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CF)ncc1C#N
CC1(O)CCCC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CC2CC2)ncc1C#N
CC(C)CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
CC1(O)CCCC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CC2CCOC2)ncc1C#N
COCCS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
CC1(O)CCCC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CC(F)(F)F)ncc1C#N
CC1(O)CC(F)(F)CC1Oc1nc(NC2CCN(CC2)S(=O)(=O)CC2CC2)ncc1C#N
CC1(O)COCCC1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N
CC1(O)CCC(F)(F)CC1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N
CC1(O)CC(F)(F)CCC1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(Nc2ncc(C#N)c(OC3CCCC3(C)O)n2)C(F)C1
Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2(C)O)n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CCCC2)n1
CC1(COc2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2C#N)CCC1
CC1(COc2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2C#N)CCCC1
CNS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCCC2)n1
CC1(COc2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2C#N)CCCC1
CC1(COc2nc(NC3CCN(CC3)S(=O)(=O)CCO)ncc2C#N)CCCC1
COCCS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCCC2)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OC2CC3(CCC3)C2)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCC2)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CC(F)(F)C2)n1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCCC2)n1
Cn1ccc(n1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(OCC2(C)CCCC2)n1
CO[C@H]1CC(C)(COc2nc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)ncc2C#N)C1 |r,wU:2.1,(1.96,5.71,;3.3,4.94,;3.3,3.4,;4.38,2.31,;3.3,1.22,;1.96,.45,;3.3,-.32,;4.63,-1.09,;4.63,-2.63,;3.3,-3.4,;3.3,-4.94,;1.96,-5.71,;.63,-4.94,;.63,-3.4,;-.7,-2.63,;-2.04,-3.4,;-2.04,-4.94,;-.7,-5.71,;-3.37,-2.63,;-2.6,-1.3,;-4.14,-3.96,;-4.71,-1.86,;-4.87,-.33,;-6.37,-.01,;-7.14,-1.34,;-8.63,-1.74,;-6.11,-2.49,;4.63,-5.71,;5.96,-4.94,;6.01,-3.37,;7.34,-2.6,;8.68,-1.83,;2.21,2.31,)|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCC2)cc1
O=S(=O)(NC1COC1)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@H](O)C2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@@H](O)C2)cc1 |r|
C[C@H]1CCCN(C1)c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1CCCN(C1)c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1CCCCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@H]1CCCCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1C[C@H](O)CCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1C[C@@H](O)CCN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
C[C@@H]1CC[C@H](O)CN1c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@H](CO)C2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@@H](CO)C2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC[C@H](F)C2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCC(O)CC2)cc1
CC1(C)CCCN(C1)c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCC(C2)c2ccccc2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(F)c(n2)N2CCCCC2)cc1
CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)N1CCCCC1
CNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)N2CCCCC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2ccc(O)cc2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Cc1cccc(c1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2cccc(c2)C2CC2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(C#N)c(n2)-c2cccc(O)c2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCC[C@H]3O)n2)C(F)(F)F)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(c(O[C@@H]3CCC[C@H]3O)n2)C(F)(F)F)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCOC[C@H]3O)n2)C(F)(F)F)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@@H]3CCOC[C@H]3O)n2)C(F)(F)F)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCOC[C@H]3O)n2)C(F)(F)F)c(F)c1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3CCCOC[C@H]3O)n2)C(F)(F)F)cc1 |r|
C[C@@]1(O)COC[C@@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F |r|
C[C@@]1(O)COC[C@H]1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F |r|
CNS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCC3O)n2)C(F)(F)F)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCC3O)n2)C(F)(F)F)cc1
OC1CCCC1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC2)ncc1C(F)(F)F
CNS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCC3)n2)C(F)(F)F)cc1
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCCC3O)n2)C(F)(F)F)cc1
CC1CCCC(O)C1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C(F)(F)F
NS(=O)(=O)c1ccc(Nc2ncc(c(O[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3O)n2)C(F)(F)F)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCOCC3O)n2)C(F)(F)F)cc1
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3COCCC3O)n2)C(F)(F)F)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCOCC3O)n2)C(F)(F)F)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(c(OC3COCCC3O)n2)C(F)(F)F)cc1
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCCCC3O)n2)C(F)(F)F)cc1
CS(=O)(=O)C1CCC(CC1)Nc1ncc(c(OC2CCCC2O)n1)C(F)(F)F |(-6.75,-.37,;-5.26,-.77,;-6.35,-1.85,;-5.26,.77,;-3.92,-1.54,;-3.92,-3.08,;-2.59,-3.85,;-1.26,-3.08,;-1.26,-1.54,;-2.59,-.77,;.08,-3.85,;1.41,-3.08,;2.74,-3.85,;4.08,-3.08,;4.08,-1.54,;2.74,-.77,;2.74,.77,;1.41,1.54,;0,.92,;-1.03,2.06,;-.26,3.4,;1.25,3.08,;2.58,3.85,;1.41,-1.54,;5.41,-.77,;5.41,.77,;6.75,0,;6.75,-1.54,)|
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCC2O)n1)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCCC2O)n1)C(F)(F)F
NS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCCC2O)n1)C(F)(F)F
CNS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCCC2O)n1)C(F)(F)F
CC1(O)COCCC1Oc1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C(F)(F)F
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCOCC2(C)O)n1)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCC2)n1)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCC2)n1)C(F)(F)F
CC1(COc2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2C(F)(F)F)CCCC1
CNS(=O)(=O)N1CCC(CC1)Nc1ncc(c(OC2CCCCCC2)n1)C(F)(F)F
O[C@@H]1CCC[C@@H]1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CCOCC2)ncc1Cl |r|
O[C@@H]1CCC[C@H]1Oc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CCOCC2)ncc1Cl |r|
CC1(COC1)NS(=O)(=O)c1ccc(Nc2ncc(Br)c(O[C@H]3CCC[C@H]3O)n2)cc1 |r|
CC1(COC1)NS(=O)(=O)c1ccc(Nc2ncc(Br)c(O[C@@H]3CCC[C@H]3O)n2)cc1 |r|
Cc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1O[C@H]1CCC[C@H]1O |r|
Cc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1O[C@@H]1CCC[C@H]1O |r|
CCc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1O[C@H]1CCC[C@H]1O |r|
CCc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1O[C@@H]1CCC[C@H]1O |r|
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C3CC3)c(O[C@H]3CCC[C@H]3O)n2)cc1 |r|
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C3CC3)c(O[C@@H]3CCC[C@H]3O)n2)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)=C)c(O[C@H]3CCC[C@H]3O)n2)cc1 |r|
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)=C)c(O[C@@H]3CCC[C@H]3O)n2)cc1 |r|
NS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCC3O)n2)C(F)(F)F)cc1
NS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
CN1CCC(CC1)NS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3CCCC3O)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(OC3COCC3(C)O)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(Br)c(OC3CCCC3O)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(OC3CCCC3O)n2)cc1
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(Br)c(OC2CCCCC2O)n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc(Br)c(OC2CCCCCC2O)n1
Cc1cnc(Nc2ccc(cc2)S(=O)(=O)NC2CC2)nc1OC1CCCC1O
CC(C)NS(=O)(=O)c1ccc(Nc2ncc(C)c(OC3CCCC3O)n2)cc1
CNS(=O)(=O)c1ccc(Nc2ncc(C)c(OC3CCCC3O)n2)cc1
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1CCCC1O
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1COCC1(C)O
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1CCOCC1O
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1CCOCC1(C)O
CCc1cnc(Nc2ccc(cc2)S(=O)(=O)NC)nc1OC1COCCC1(C)O
CC1(O)CCCC1Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C1CC1
NS(=O)(=O)c1ccc(Nc2ncc(C=C)c(OC3CCCC3O)n2)cc1
CN(C)C1CCC(CC1)Nc1cc2c3ccc(F)cc3nn2cn1 |(-7.58,-5.43,;-6.25,-4.66,;-4.92,-5.43,;-6.25,-3.12,;-7.58,-2.35,;-7.58,-.81,;-6.25,-.04,;-4.92,-.81,;-4.92,-2.35,;-6.25,1.5,;-4.92,2.27,;-3.58,1.5,;-2.25,2.27,;-.79,1.8,;-.16,.39,;1.37,.23,;2.28,1.47,;3.81,1.31,;1.65,2.88,;.12,3.04,;-.78,4.29,;-2.25,3.81,;-3.58,4.58,;-4.92,3.81,)|
N[C@@H]1CCC(C1)Nc1cc2c3ccc(F)cc3nn2cn1 |r|
N[C@H]1CCC(C1)Nc1cc2c3ccc(F)cc3nn2cn1 |r|
N[C@H]1CCC(CC1)Nc1cc2c3ccc(F)cc3nn2cn1 |r,wD:1.0,(-6.25,-4.66,;-6.25,-3.12,;-4.92,-2.35,;-4.92,-.81,;-6.25,-.04,;-7.58,-.81,;-7.58,-2.35,;-6.25,1.5,;-4.92,2.27,;-3.58,1.5,;-2.25,2.27,;-.79,1.8,;-.16,.39,;1.37,.23,;2.28,1.47,;3.81,1.31,;1.65,2.88,;.12,3.04,;-.78,4.29,;-2.25,3.81,;-3.58,4.58,;-4.92,3.81,)|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Fc1ccc2c(c1)nn1cnc(NC3CCOCC3)cc21
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]2)cc1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cc1
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cc1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cc1
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
COc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
COc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
FC(F)(F)Oc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
COc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cn1
Cc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cn1
Cc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cn1
CC(C)n1c(C(C)(C)O)nc2c(F)cc(-c3nc(NC4C[C@H]5CO[C@H](O5)[C@H]4O)ncc3Cl)cc21
CC(C)n1c(C(C)(C)O)nc2c(F)cc(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc21
Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)c2ccsc2n1
Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)c2sccc2n1
C=CC(=O)Nc1ccc2c(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)C3CCOCC3)C4(C)C)nccc2c1
C=CC(=O)Nc1cccc2c(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)C3CCOCC3)C4(C)C)nccc12
C=CC(=O)Nc1ccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)nc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)cc1
C=CC(=O)Nc1cnc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)nc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC2CN(C)Cc4ccccc42)C3(C)C)cc1
Cc1nccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)n1
C=CC(=O)Nc1ccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)cc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H]2CCCN(C)C2)C3(C)C)cc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC2(CN(C)C)CC2)C3(C)C)cc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC(CN(C)C)C2CCOC2)C3(C)C)cc1
O=C1NCCOCCN2CC[C@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3cc1ccc23
O=C1NCCCCN2CC[C@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3cc1ccc23
CP(C)(=O)c1c2ccc3c(c[nH]c13)-c1nc(ncc1C(F)(F)F)N[C@H]1CC[C@@H](C1)NCCCCNC2=O
CP(C)(=O)c1c2ccc3c(c[nH]c13)-c1nc(ncc1C(F)(F)F)N[C@H]1CC[C@@H](C1)NCCOCCNC2=O
CN1CC(F)(F)CCN(C)[C@@H]2CC[C@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3c(P(C)(C)=O)c(ccc23)C1=O
CN1CC(F)CCN(C)[C@@H]2CC[C@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3c(P(C)(C)=O)c(ccc23)C1=O
COC[C@H]1C[C@@H]1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)NC(C)C)C2)[nH]n1
COCc5cc(C(=O)NC4=NCC([C@H]3CC[C@@H](OC(=O)N[C@@H]2COC1(CCC1)C2)C3)=C4)n(C)n5
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C3CC(C)N(S(C)(=O)=O)C3)n[nH]2)C1
C#C[C@H]1C[C@@H]1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)COC3)C2)[nH]n1
CCC(C)(C)NC(=O)O[C@@H]1CO[C@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1
COc1cc2ncnc(Nc3cc(-c4ccccc4)n(n3)-c3ccccc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(Cl)cc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(F)cc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccccc3)c2cc1OC
COc1cc2ncnc(Nc3cc(O)[nH]n3)c2cc1OC
COc1ccc(cc1)-c1cc(Nc2ncnc3cc(OC)c(OC)cc23)n[nH]1
COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC
CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1
C(Cc1ccccc1)Nc1nccc(n1)-c1c[nH]c2ncccc12
C(Cc1c[nH]c2ccccc12)Nc1nccc(n1)-c1c[nH]c2ncccc12
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cc2ccccc2s1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccsc1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccnc1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(F)cc1
COc1ccc(cc1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
COc1ccc(CCNc2nccc(n2)-c2c[nH]c3ncccc23)cc1OC
COc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cc2ccccc2o1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccoc1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(OC(F)(F)F)cc1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)C(F)(F)F
CSc1ccccc1-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
CSc1ccc(cc1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
C1CN(CCO1)c1nccc(n1)-c1c[nH]c2ncccc12
C1CCN(CC1)c1nccc(n1)-c1c[nH]c2ncccc12
Nc1nccc(n1)-c1c[nH]c2ncccc12
C1CCN(C1)c1nccc(n1)-c1c[nH]c2ncccc12
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc(F)c1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(F)(F)F
COc1ccc2ccccc2c1-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
Cc1cccc(c1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
CCc1ccccc1-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc2ccccc12
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(Cl)cc1
CN1CCN(CC1)c1nccc(n1)-c1c[nH]c2ncccc12
COc1ccc2[nH]c(cc2c1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
COc1ccc(CCNc2nccc(n2)-c2c[nH]c3ncccc23)cc1
OCCN1CCN(CC1)c1ccc2ncc(-c3cccc(Cl)c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r|
Fc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
FC(F)(F)c1cccc(\C=C\c2cnc3ccc(Cl)nn23)c1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|
COc1ccc2ncc(-c3ccnc(N)n3)n2n1
COc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|
CSc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Clc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
COc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1
Clc1cccc(c1)-c1cnc2ccc(nn12)N1CCC(CC1)N1CCCCC1
Clc1cccc(c1)-c1cnc2ccc(Cl)nn12
COc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)S(C)(=O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|
Clc1ccc2ncc(-c3cccc(C=O)c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@@H](CC)CO)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r|
CCOC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1
COc1ccc2ncc(-c3ccnc(SC)n3)n2n1
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1
CC[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)S(C)(=O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc4ccccc4[nH]3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(SC)n3)n2n1 |r|
COc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|
COc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
FC(F)(F)c1cccc(c1)-c1cnc2ccc(Cl)nn12
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|
Nc1ccc(Cl)cc1-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|
COc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Nc1cccc(c1)-c1cnc2ccc(Cl)nn12
CSc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
FC(F)(F)c1ccc(cc1)-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1 |r|
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1
Fc1ccc2ncc(-c3cccc(C=O)c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1 |r|
CC[C@@H](CO)N(C(C)=O)c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(N)n3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(SC)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1 |r|
CC[C@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@H](CC)CO)c3)n2n1 |r|
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1 |r|
CCOC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
O\N=C\c1cccc(c1)-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(N)c3)n2n1 |r|
Clc1ccc2ncc(-c3cccnc3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cc(Cl)ccc3N)n2n1 |r|
CCOC(=O)Nc1ccc2ncc(-c3cccnc3)n2n1
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r,wU:12.15,10.10,(26.01,-22.02,;24.92,-23.11,;23.43,-22.71,;22.35,-23.8,;22.75,-25.29,;24.23,-25.68,;25.32,-24.6,;24.63,-27.17,;26.14,-27.49,;23.6,-28.32,;22.09,-28,;20.8,-28.83,;19.97,-27.54,;21.26,-26.71,;18.46,-27.22,;17.83,-25.81,;16.3,-25.98,;15.98,-27.48,;14.65,-28.26,;13.31,-27.48,;11.98,-28.26,;10.65,-27.48,;10.65,-25.94,;9.31,-25.18,;7.98,-25.94,;7.98,-27.48,;6.64,-28.26,;9.31,-28.26,;14.65,-29.8,;15.98,-30.56,;17.31,-29.8,;17.31,-28.26,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r,wU:12.15,10.10,(36.41,-23.55,;35.32,-24.63,;33.83,-24.23,;32.74,-25.33,;33.14,-26.81,;34.63,-27.21,;35.72,-26.12,;35.02,-28.69,;36.54,-29.01,;33.99,-29.84,;32.49,-29.52,;31.2,-30.36,;30.36,-29.07,;31.65,-28.23,;28.86,-28.74,;28.23,-27.34,;26.7,-27.5,;26.37,-29.01,;25.04,-29.78,;23.71,-29.01,;22.38,-29.78,;21.04,-29.01,;21.04,-27.47,;19.7,-26.7,;18.37,-27.47,;18.37,-29.01,;17.04,-29.78,;19.7,-29.78,;25.04,-31.32,;26.37,-32.09,;27.71,-31.32,;27.71,-29.78,)|
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1F)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(Cl)c1)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c3ccccc3cc3ccccc13)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccc(Cl)cc1)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1Cl)cc2=O |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)nc2n1C1CCCC1
CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
NC(=O)c1c(O)cc(O)c2c3nc[nH]c(=O)c3oc12
NC(=O)c1c(O)cc(O)c2c1oc1c2[nH]c(=O)[nH]c1=O
NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21
Cn1c(cccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(12.97,-30.07,;12.2,-31.41,;12.97,-32.74,;12.2,-34.08,;10.66,-34.08,;9.88,-32.74,;10.66,-31.41,;9.88,-30.07,;14.51,-32.74,;15.28,-34.08,;16.83,-34.08,;17.59,-32.74,;16.83,-31.41,;15.28,-31.41,;19.14,-32.74,;19.91,-31.41,;19.14,-30.07,;19.91,-28.74,;21.45,-28.74,;22.22,-30.07,;21.45,-31.41,;22.22,-27.4,;23.76,-27.4,;24.53,-26.07,;26.08,-26.07,;26.85,-27.4,;26.08,-28.74,;24.53,-28.74,;28.39,-27.4,;29.93,-27.4,;19.91,-34.08,;19.14,-35.41,;21.45,-34.08,;22.22,-35.41,;23.76,-35.41,;24.53,-34.08,;26.08,-34.08,;26.85,-35.41,;26.08,-36.75,;24.53,-36.75,)|
Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|
CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12 |r|
Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wD:16.21,13.14,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|
O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccccc1 |r,wU:11.11,wD:14.18,(25.33,-38.6,;25.33,-37.05,;26.66,-36.28,;27.99,-37.05,;29.32,-36.28,;29.32,-34.75,;30.66,-33.97,;31.99,-34.75,;31.99,-36.28,;30.66,-37.05,;23.99,-36.28,;22.66,-37.05,;22.66,-38.6,;21.33,-39.36,;20,-38.6,;20,-37.05,;21.33,-36.28,;18.67,-39.36,;17.34,-38.6,;16,-39.36,;14.67,-38.6,;14.67,-37.05,;16,-36.28,;17.34,-37.05,;13.34,-36.28,;12,-35.51,;23.99,-34.75,;22.66,-33.97,;22.66,-32.44,;23.99,-31.67,;25.33,-32.44,;25.33,-33.97,)|
O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccnc1 |r,wU:11.11,wD:14.18,(23.87,-32.62,;24.64,-31.28,;26.18,-31.28,;26.95,-32.62,;28.49,-32.62,;29.26,-31.28,;30.81,-31.28,;31.58,-32.62,;30.81,-33.95,;29.26,-33.95,;23.87,-29.95,;24.64,-28.61,;23.87,-27.28,;24.64,-25.95,;26.18,-25.95,;26.95,-27.28,;26.18,-28.61,;26.95,-24.61,;28.49,-24.61,;29.26,-23.28,;30.81,-23.28,;31.58,-24.61,;30.81,-25.95,;29.26,-25.95,;33.12,-24.61,;34.66,-24.61,;22.32,-29.95,;21.56,-31.28,;20.01,-31.28,;19.24,-29.95,;20.01,-28.61,;21.56,-28.61,;17.7,-29.95,;16.93,-31.28,;15.39,-31.28,;14.61,-29.95,;15.39,-28.61,;16.93,-28.61,)|
Cn1cccc(-c2ccc(cc2)N([C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)C(=O)NCc2ccccc2)c1=O |r,wU:13.13,wD:16.20,(21.82,-25.31,;22.6,-26.64,;21.82,-27.98,;22.6,-29.31,;24.13,-29.31,;24.91,-27.98,;26.45,-27.98,;27.22,-29.31,;28.76,-29.31,;29.53,-27.98,;28.76,-26.64,;27.22,-26.64,;31.08,-27.98,;31.85,-26.64,;31.08,-25.31,;31.85,-23.97,;33.39,-23.97,;34.16,-25.31,;33.39,-26.64,;34.16,-22.64,;35.7,-22.64,;36.47,-21.3,;38.02,-21.3,;38.79,-22.64,;38.02,-23.97,;36.47,-23.97,;40.33,-22.64,;41.87,-22.64,;31.85,-29.31,;31.08,-30.65,;33.39,-29.31,;34.16,-30.65,;35.7,-30.65,;36.47,-29.31,;38.02,-29.31,;38.79,-30.65,;38.02,-31.98,;36.47,-31.98,;24.13,-26.64,;24.91,-25.31,)|
Cn1ccc(cc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(13.41,-28.38,;14.96,-28.38,;15.73,-29.72,;17.27,-29.72,;18.04,-28.38,;17.27,-27.05,;15.73,-27.05,;14.96,-25.71,;19.58,-28.38,;20.35,-29.72,;21.9,-29.72,;22.67,-28.38,;21.9,-27.05,;20.35,-27.05,;24.21,-28.38,;24.98,-27.05,;24.21,-25.71,;24.98,-24.38,;26.52,-24.38,;27.29,-25.71,;26.52,-27.05,;27.29,-23.04,;28.84,-23.04,;29.6,-21.71,;31.15,-21.71,;31.92,-23.04,;31.15,-24.38,;29.6,-24.38,;33.46,-23.04,;35.01,-23.04,;24.98,-29.72,;24.21,-31.05,;26.52,-29.72,;27.29,-31.05,;28.84,-31.05,;29.6,-29.72,;31.15,-29.72,;31.92,-31.05,;31.15,-32.38,;29.6,-32.38,)|
c1ccc2c(c1)nc(c(n2)Nc3cccc(c3)O)C(=O)O
OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Nc1cccc(Nc2nc3ccccc3nc2C([O-])=O)c1
OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc12 |(32.15,-14.56,;33.17,-13.41,;34.68,-13.72,;32.68,-11.95,;33.59,-10.69,;32.67,-9.44,;31.2,-9.93,;29.86,-9.16,;29.86,-7.62,;31.19,-6.85,;31.18,-5.31,;32.52,-4.54,;32.52,-3,;31.18,-2.24,;29.84,-3.02,;29.85,-4.55,;28.53,-9.93,;28.53,-11.48,;27.2,-12.25,;25.86,-11.47,;25.86,-9.93,;24.54,-9.16,;23.2,-9.93,;21.87,-9.15,;23.2,-11.47,;24.53,-12.25,;29.87,-12.25,;31.21,-11.48,)|
CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCCCC3N)nc12
COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cc(F)c(c(F)c1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cccc(Cl)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
CCOc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1cc(F)ccc1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2noc3ccccc23)n1
COc1ccccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2noc(C)c2C)n1
Cc1noc(NS(=O)(=O)c2ccc(Nc3nccc(n3)-c3ccc(F)cc3Cl)cc2)c1C
Cc1noc(NS(=O)(=O)c2ccc(Nc3nccc(n3)-c3ccc(F)cc3F)cc2)c1C
CSc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
CCOc1cc(Cl)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
CCOc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
CCOc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cc(Cl)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cc(F)c(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1ccccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)C(O)=O)n1
COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1
CCOc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1
COc1ccccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1cc(F)c(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
CCOc1cc(Cl)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1cc(F)c(Nc2nccc(n2)-c2ccc(F)cc2OC)cc1C(N)=O
COc1cccc(F)c1-c1ccnc(Nc2cc(C(N)=O)c(OC)cc2F)n1
CCOc1cc(F)ccc1-c1ccnc(Nc2cc(C(N)=O)c(OC)cc2F)n1
CCOc1cc(Cl)ccc1-c1ccnc(Nc2cc(C(N)=O)c(OC)cc2F)n1
COc1cc(F)c(Nc2nccc(n2)-c2ccc(F)cc2F)cc1C(N)=O
COc1cccc(F)c1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1
CC(C)Oc1cccc(-c2ccnc(Nc3ccc(cc3)S(=O)(=O)Nc3onc(C)c3C)n2)c1F
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)C(=O)Nc2onc(C)c2C)n1
COc1ccc(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1ccccc1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1
COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1ccccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1
Cc1noc(NS(=O)(=O)c2ccc(Nc3nccc(n3)-c3ccc(Cl)cc3Cl)cc2)c1C
CC(C)Oc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1ccc(c(OC)c1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cc(F)ccc1-c1cc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)ncn1
CCOc1cc(Cl)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1
COc1ccc(c(OC)c1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
COc1cc(F)c(Nc2nccc(n2)-c2cc(F)c(F)cc2OC)cc1C(N)=O
COc1cc(F)c(Nc2nccc(n2)-c2ccc(F)cc2OC(C)C)cc1C(N)=O
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2noc(C)c2C)n1
COc1ccccc1-c1ccnc(Nc2cc(C(N)=O)c(OC)cc2F)n1
Cc1noc(NS(=O)(=O)c2ccc(Nc3nccc(n3)-c3ccc(F)cc3C)cc2)c1C
COc1ccc(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)-c2c(C)noc2C)n1
Oc1ccc(cc1)-c1cnc2[nH]nc(NC(=O)CCCl)c2c1
CCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccc(O)cc1
CCCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccc(O)cc1
O=C(Nc1n[nH]c2ncc(cc12)-c1cncnc1)C1CCCCC1
Oc1ccccc1-c1cnc2[nH]nc(NC(=O)C3CCCCC3)c2c1
Oc1ccc(cc1)-c1cnc2[nH]nc(NC(=O)C3CCCCC3)c2c1
Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1
CCC(CC)C(=O)Nc1n[nH]c2ncc(cc12)-c1ccc(O)cc1
CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|
ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4|
CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6|
CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:6|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:5|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4|
CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12 |t:5|
ON1C(=O)C2=C(C1=O)c1cn(CCCCCCn3cc2c2ccccc32)c2ccccc12 |c:4|
O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5|
ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|
ON1C(=O)C(=C(C1=O)c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:4|
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)|
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)|
CC(C)c1cnn2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.30,wD:25.26,(51.12,-22.52,;52.63,-22.18,;53.65,-23.33,;53.1,-20.71,;52.18,-19.48,;53.09,-18.23,;54.56,-18.7,;55.89,-17.92,;55.89,-16.38,;54.55,-15.61,;54.55,-14.07,;55.88,-13.31,;55.88,-11.77,;54.54,-10.99,;53.2,-11.78,;53.21,-13.32,;54.53,-9.46,;55.87,-8.69,;55.86,-7.15,;54.52,-6.38,;53.18,-7.17,;53.2,-8.71,;57.23,-18.68,;57.24,-20.23,;58.57,-21.01,;59.9,-20.23,;61.23,-21.01,;62.56,-20.24,;62.56,-18.7,;63.9,-17.93,;61.23,-17.93,;59.89,-18.69,;55.9,-21.01,;54.56,-20.24,)|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)C(C)(C)C
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccccc1
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
Cn1nc(N)c(\N=N\c2ccncc2)c1N
Nc1n[nH]c(N)c1\N=N\c1ccncc1
O\N=C1\C(\Nc2cc(F)c(F)cc\12)=C1\C(=O)Nc2ccc(OC(F)(F)F)cc12
COc1ccc2NC(=O)\C(=C3/Nc4cc(F)c(F)cc4/C/3=N\OCCO)c2c1
O\N=C1\C(\Nc2cc(F)c(F)cc\12)=C1\C(=O)Nc2ccc(F)cc12
Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
COc1ccc2NC(=O)\C(=C3/Nc4cc(F)c(F)cc4/C/3=N\O)c2c1
O\N=C1\C(\Nc2cc(F)c(F)cc\12)=C1\C(=O)Nc2ccc(Cl)cc12
O\N=C1\C(\Nc2cc(F)c(F)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
Cc1nc(sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1)N(C1CCCC1)C1CCCC1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C=O)n1
CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)ncc1F
CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCC(N)CC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCCC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccccn2)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Cc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(Nc3ccccc3)nc2C)nc1
CN(c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1)c1ccccc1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Clc1[nH]c2ccccc2c1\C=C1\C(=O)Nc2ccccc12
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
CC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO
COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
COc1ccc(OC)c2c1[nH]c1ccccc1c2=S
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9|
Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CCCCOc1c(c[nH]c2nncc12)C(=O)c1c(F)cc(C)cc1F
CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Nc1n[nH]c2nc3ccccc3nc12
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N
CCNc1cc(N[C@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,wD:7.6,(-2.06,7.78,;-2.83,6.45,;-4.37,6.45,;-5.14,5.11,;-4.37,3.78,;-5.14,2.45,;-4.37,1.11,;-5.14,-.22,;-6.68,-.22,;-7.45,-1.55,;-6.68,-2.89,;-7.45,-4.22,;-5.14,-2.89,;-4.37,-1.55,;-6.68,2.45,;-7.45,3.78,;-8.99,3.78,;-9.46,2.32,;-10.97,2,;-11.44,.53,;-10.41,-.61,;-10.57,-2.14,;-11.91,-2.91,;-13.24,-2.14,;-13.24,-.6,;-14.57,.17,;-15.91,-.6,;-15.91,-2.14,;-14.57,-2.91,;-9.17,-2.77,;-8.14,-1.63,;-8.91,-.29,;-8.43,1.17,;-6.68,5.11,)|
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
CC(C)c1cnc(NC(=O)Cc2ccccc2)s1
CCOC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)C(=C4)C#N)C5CCCC5
CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
CCOC(=O)CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12
NS(=O)(=O)c1ccc(N\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc23)cc1
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1N=O
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
CC(C)Oc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1)N1CCNCC1
CC(C)Oc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1)N1CCN(C)CC1
COc1cc(O)c2c(oc(cc2=O)-c2ccc(cc2)N2CCN(C)CC2)c1Oc1c(C)n[nH]c1C
COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1 |r|
CN1CCN(CC1)c1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(Oc3c(C)n[nH]c3C)c2o1
Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1)N1CCNCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCCCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3O)C(=O)NCCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3cccc(NC(=O)CCCCCCCN=C=S)c3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3F)C(=O)NCCCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3F)C(=O)NCCCCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3F)C(=O)NCCCCCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3O)C(=O)NCCCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3F)C(=O)NCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3O)C(=O)NCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCCN=C=S)cc3F)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCCN=C=S)cc3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCCCCCCN=C=S)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3F)C(=O)NCCCCN=C=S)nc2n1C1CCCC1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1 |r|
CC(C)Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnn(CC4CC4)c3)c2)CC1
Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
CN(C)c1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1 |r|
CN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
CC(C)Oc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1 |r|
FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)C#N)c2)CC1
FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)C(=O)NCC3CC3)c2)CC1
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1 |r|
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCC3)c2)c1 |r|
Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC3CC3)ncn2)c1 |r|
CCn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3)c2)c1 |r|
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
Cc1cccc(Nc2ncc3CCCCc3n2)c1
NS(=O)(=O)c1cccc(Nc2ncc3CCCCc3n2)c1
COc1cccc(Nc2ncc3CCCCc3n2)c1
Cc1ccccc1Nc1ncc2CCCCc2n1
Cc1ccc(Nc2ncc3CCCCc3n2)cc1
[O-][N+](=O)c1cccc(Nc2ncc3CCCCc3n2)c1
CCc1cccc(Nc2ncc3CCCCc3n2)c1
COc1cc(F)ccc1-c1cc(Nc2cc(C[S@](C)(=N)=O)ccn2)ncc1F |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CCc1cnn2c(Nc3cccc(NC(=O)C=C)c3)cc(nc12)N1CCCC[C@H]1CCO |r|
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@](C)(=N)=O)c2)n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1
Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1
COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1
COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
O=C(CCC(=O)N1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1)NCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(C)=O)c3)n2)nc1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3cccc(NC(=O)C=C)c3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC3)C(=O)C=C)s2)o1
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)Nc3ccc(NC(=O)C=C)cc3)s2)o1
C[C@@H]1[C@@H](CCCN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
CC(C)(C)c1cnc(CSc2cnc(NC3CN(CC(F)(F)C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
C[C@H]1CC[C@H](CN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cn3)s2)o1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)s2)o1 |r|
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(c3)C(F)(F)F)s2)o1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ccncc2)s1 |r|
FC(F)(F)c1ncc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)cn1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCC2CCOCC2)s1 |r|
CC(C)(C)c1cnc(CCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(CNCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(C[S+]([O-])c2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(C)c1cnc(CSc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2Cl)o1 |r|
CC(C)(C)c1cnc(CSc2nnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Cc1nc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)sc1SCc1ncc(o1)C(C)(C)C |r|
O=C1\C(CCc2ccccc12)=C\c1c[nH]c2ncccc12
Oc1ccc2C(=O)\C(CCc2c1)=C\c1c[nH]c2ncccc12
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cn[nH]c2CC(C)(C)CO)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)C(C)(C)Cc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cn[nH]c2CCCCO)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)CCCc23)c(Cl)cn1 |r|
CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl |r,wD:16.17,18.20,(1.65,4.74,;.32,3.97,;1.65,3.2,;-.16,2.51,;-1.7,2.51,;-2.94,1.6,;-4.19,2.51,;-3.71,3.97,;-2.17,3.97,;-.93,4.88,;-2.94,.06,;-1.61,-.71,;-1.61,-2.25,;-.28,-3.02,;1.06,-2.25,;1.06,-.71,;2.39,-3.02,;3.88,-2.62,;4.28,-4.11,;5.61,-4.88,;2.79,-4.51,;-2.94,-3.02,;-4.28,-2.25,;-4.28,-.71,;-5.61,.06,)|
CC(=O)N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
CC(=O)NC1CCCC(C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1
CC(=O)N[C@H]1CCC[C@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3CC(C)(C)Cn23)c(Cl)cn1 |r|
CC1Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(C)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(cn1)C#N |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CC(C)(C)Cc12 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCC(C)(C)Cc23)c(F)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCC(C)(C)Cc12 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCOc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCNc23)c(Cl)cn1 |r|
CN1CCn2ncc(c2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCOCc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCCc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3CCCn23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2nnn3ccccc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3ccccn23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc(C)n2C)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3CCCCn23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3ccccc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn(C)c2C)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(F)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCCCc12 |r|
CC(C)n1c(C)ncc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3CC4(CC(=O)NC4=O)N(C4CCCC4)c3n2)cc1F
CN1CCN(CC1)c1ccc(Nc2ncc3CC4(CCNC4=O)N(C4CCCC4)c3n2)cc1F
CN1CCN(CC1)c1ccc(Nc2ncc3CC4(CC(=O)NC4=O)N(C4CCCC4)c3n2)cc1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3CC4(CC(=O)NC4=O)N(C4CCCC4)c3n2)cc1
CN(C)CCN(C)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)cc1
CN(C)CCN(C)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(c3n2)C23CC(C2)C3)cc1
CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)cc1
CN(C)CCOc1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)cc1F
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1C12CC(C1)C2
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(CCO)CC4)c(F)c3)nc2n1C12CC(C1)C2
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC(CC4)N4CCN(C)CC4)c(F)c3)nc2n1C12CC(C1)C2
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1C12CC(C1)C2
Nc1n[nH]c(N)c1\N=N\c1ccc(cc1)S(N)(=O)=O
Nc1nn2cc([nH]c2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Cc1ccc(cc1)-c1cn2nc(N)c(\N=N\c3ccc(cc3)S(N)(=O)=O)c2[nH]1
Nc1nn2cc([nH]c2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Nc1nn2cc([nH]c2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Nc1nn2cc([nH]c2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
COc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(cc1)[N+]([O-])=O
Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1cccs1
Nc1nn2c(N)c(C#N)c(nc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Cc1ccc(cc1)-c1nc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn2c(N)c1C#N
Nc1nn2c(N)c(C#N)c(nc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Nc1nn2c(N)c(C#N)c(nc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Nc1nn2c(N)c(C#N)c(nc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Nc1nccc(n1)-c1c2cccnc2n2c(N)nccc12
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=O)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CCS(C)(=O)=O)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(c2)S(C)(=O)=O)n1
CS(=N)(=N)Cc1cc2Nc3ncc(F)c(n3)-c3ccc(F)cc3OCCCCOc(c1)c2
CS(=N)(=N)Cc1cc2Nc3ncc(F)c(n3)-c3cccc(F)c3OCCCCOc(c1)c2
Cc1cc(CS(C)(=O)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)c3ccoc23)c1
COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|
COc1ccc(F)cc1-c1ncnc2[nH]c(cc12)C1CCNCC1
Clc1cnc(NC(=O)[C@H]2CNCCO2)cc1-c1cc(NCC2CCOCC2)cnc1Cl |r|
Fc1cccc(CNc2cccc(n2)-c2cc(NC(=O)[C@H]3CNCCO3)ncc2Cl)c1 |r|
CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)C(F)(F)F)O
COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=N)c2)ncc1F
COc1cc(F)ccc1-c1cc(Nc2cc(C[S@@](C)(=N)=O)ccn2)ncc1F |r|
c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-]
Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
NC(=O)c1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
c1cn2c(n1)C(=CNC2=O)C3CCCCC3
NS(=O)(=O)c1ccc(Nc2nc(-c3cccc(c3)-c3ccccc3)c3nc[nH]c3n2)cc1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21
CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n2cc(nc12)C(C)(C)C
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc(c[nH]2)-c2ccccc2)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1Cl |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1Cl |c:4|
CC(=O)c1c(C)c2ccc(Nc3nccc(n3)-c3cccnc3)cc2oc1=O
COc1ccccc1-c1ccnc(Nc2ccc3c(C)c(C(C)=O)c(=O)oc3c2)n1
COc1ccccc1-c1cc(Nc2ccc3c(C)c(C(C)=O)c(=O)oc3c2)ncn1
COc1ccccc1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CCc1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccccc3OC)cc2oc1=O
COc1ccccc1-c1ccnc(Nc2ccc3c(cc(=O)oc3c2)N2CCOCC2)n1
COc1ccccc1-c1ccnc(Nc2ccc3c(cc(=O)oc3c2)N2CCNCC2)n1
COc1ccccc1-c1ccnc(Nc2ccc3c(cc(=O)oc3c2)N2CCCNCC2)n1
COc1cccc(c1)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
COc1ccc(cc1)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
COc1ccc(c(OC)c1)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccccc3)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3c(F)cccc3F)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccccc3C(F)(F)F)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccccc3[N+]([O-])=O)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccccc3C)cc2oc1=O
CCc1ccccc1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
COc1ccccc1-c1cc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncn1
COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
COc1ccc(F)cc1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
COc1cccc(F)c1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(N4CCN(C)CC4)c(C(C)=O)c(=O)oc3c2)n1
CCN1CCN(CC1)c1c(C(C)=O)c(=O)oc2cc(Nc3nccc(n3)-c3ccc(F)cc3OC)ccc12
COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(N4CCCCC4)c(C(C)=O)c(=O)oc3c2)n1
CCC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc(F)cc3OC)cc2oc1=O
COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(cc(=O)oc3c2)N2CCOCC2)n1
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCN(C)CC4)c(C(C)=O)c(=O)oc3c2)ncc1F
CCN1CCN(CC1)c1c(C(C)=O)c(=O)oc2cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)ccc12
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCCNCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
CCC(=O)c1c(N2CCOCC2)c2ccc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc2oc1=O
COc1cc(F)ccc1-c1nc(Nc2ccc3c(cc(=O)oc3c2)N2CCOCC2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1Cl
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCN(C)CC4)c(C(C)=O)c(=O)oc3c2)ncc1Cl
CCCCNc1nc2ccc(cc2[nH]1)[N+]([O-])=O
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccncc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cccnc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cncnc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cnc(N)nc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]ncc2c1
CN(C)c1nccn2c(-c3cnn(C)c3)c(nc12)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
CSc1nccc(n1)-c1c(nc2c(nccn12)N(C)C)-c1ccccc1
CN(C)c1nccn2c(c(nc12)-c1ccccc1)-c1ccnc(N)n1
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(nc2c(nccn12)N(C)C)-c1ccc(F)cc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccnc(N)n1
CSc1nccc(n1)-c1c(nc2c(N)nccn12)-c1ccc(F)cc1
Nc1nccc(n1)-c1c(nc2c(N)nccn12)-c1ccc(F)cc1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCCCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCCCCCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCCCCCCCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCC(=O)CCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCC(=O)CCC(=O)NCCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCCCCC(=O)NCCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)COCCOCCOCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)COCCOCCOCC(=O)NCCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCc3cn(CCCCCC(=O)NCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)nn3)c2)n1
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCc3cn(CCCCCCCC(=O)NCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)nn3)c2)n1
COc1cc(ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1)N1CCN(CCCCCC(=O)NCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
COc1cc(ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1)N1CCN(CCCCCCC(=O)NCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
COc1cc(ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1)N1CCN(CCCCCCCC(=O)NCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
COc1cc(ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1)N1CCN(CCCCCCCCCC(=O)NCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(O)c2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1Cl
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1Cl
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C
CC(=O)N1CCN(CC1)c1cccc(Nc2ncc3CCc4nc(N)sc4-c3n2)c1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)S(C)(=O)=O)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNC(=O)CC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN3CCC2CC3)ncc1C |THB:16:18:22.23:26.25,(4.01,-25.19,;4.78,-26.52,;4,-27.85,;2.46,-28,;2.12,-29.52,;.78,-30.28,;3.46,-30.3,;4.62,-29.27,;3.45,-31.83,;4.77,-32.61,;4.75,-34.15,;6.08,-34.92,;7.42,-34.16,;8.75,-34.92,;10.08,-34.16,;10.08,-32.61,;8.75,-31.85,;7.42,-32.62,;8.74,-30.31,;9.82,-31.09,;9.43,-29.51,;7.91,-28.84,;7.84,-27.32,;7.18,-28.55,;7.26,-30.38,;6.2,-31.14,;6.52,-29.6,;3.43,-34.91,;2.1,-34.14,;2.11,-32.6,;.78,-31.83,)|
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C(F)(F)F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1C=C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1Br
CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1)C(F)(F)F
CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)n1
CNc1nc(C(C)C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCCCCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cc(cc(c2)N2CCN(CC2)C(C)=O)N2CCN(CC2)C(C)=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(cc(c2)N2CCN(CC2)C(C)=O)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(cc(c2)N2CCN(CC2)C(C)=O)N2CCN(CC2)C(C)=O)ncc1C
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Br)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(C2CC2)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cn2)nc1-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(N2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|
C\C=C\C(=O)Nc1cc(F)c(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
COc1cc(NC(=O)\C=C\C)c(C)cc1N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3cccc4ccoc34)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3cccc4OCOc34)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3cccc4cc[nH]c34)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc4[nH]ccc4c3)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc4nccn4c3)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc4ocnc4c3)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc4scnc4c3)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc4n(C)ncc4c3)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3c[nH]c4ccccc34)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3cn(C)c4ccccc34)cc2oc1=O
CC(C)n1cc(-c2ccnc(Nc3ccc4c(N5CCOCC5)c(C(C)=O)c(=O)oc4c3)n2)c2ccccc12
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-n3ccc4ccccc34)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-n3ccc4cccnc34)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-n3cnc4ccccc34)cc2oc1=O
CC(C)n1nnc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc4nn(C)cc4c3)cc2oc1=O
CC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc4nn(C)c(C)c4c3)cc2oc1=O
CCc1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CCCc1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CCCCc1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ncnc3c2)N2CCOCC2)n1
CC(C)c1[nH]nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ncnc3c2)N2CCCC2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ncnc3c2)N2CCNCC2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
CCN1CCN(CC1)c1ncnc2cc(Nc3nccc(n3)-c3ccc4nn(C)c(C(C)C)c4c3)ccc12
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ncnc3c2)N2CCN(C)C(=O)C2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ncnc3c2)N2CCCNCC2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ncnc3c2)N2CCCN(C)CC2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ncnc3c2)N2CC3CC2CN3)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(NC4CCN(C)CC4)ncnc3c2)n1
COCCNc1ncnc2cc(Nc3nccc(n3)-c3ccc4nn(C)c(C(C)C)c4c3)ccc12
COCCCNc1ncnc2cc(Nc3nccc(n3)-c3ccc4nn(C)c(C(C)C)c4c3)ccc12
CNCCNc1ncnc2cc(Nc3nccc(n3)-c3ccc4nn(C)c(C(C)C)c4c3)ccc12
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(NCCN(C)C)ncnc3c2)n1
Fc1cc2[nH]ncc2c2c3CCCCc3c(nc12)-c1c[nH]nc1C(F)(F)F
Fc1cc2[nH]ncc2c2c3CCCCc3c(nc12)-c1cn[nH]c1
Fc1cc2[nH]ncc2c2c3C4CCC(C4)c3c(nc12)-c1c[nH]nc1C(F)(F)F
OCc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
Cc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
Cc1n[nH]c2cc(F)c3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
OCC(Nc1cncc(n1)-c1ccc2occc2c1)c1ccccc1
Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1
Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccc(F)cc2)n1
Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccc(F)c(F)c2)n1
Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2cccc(OC(F)(F)F)c2)n1
Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2cccc(c2)C(F)(F)F)n1
Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2cccc(C)c2)n1
Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2F)n1
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@H](CO)c2ccccc2)n1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(Cl)cc2)n1 |r|
COc1ccc(cc1)[C@H](CO)Nc1cncc(n1)-c1ccc2[nH]nc(C)c2c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)c(F)c2)n1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
C[C@@H](Nc1cncc(n1)-c1ccc2[nH]nc(C)c2c1)c1ccccc1 |r|
C[C@@H](Nc1cncc(n1)-c1ccc2[nH]nc(C)c2c1)c1ccc(F)cc1 |r|
Cc1n[nH]c2ncc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
OC[C@H](Nc1cncc(n1)-c1ccc2[nH]ncc2c1)c1ccccc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
CC(CO)Nc1cncc(n1)-c1ccc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccc(F)cc2)cnc1Cl |r|
CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)C#N |r|
CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
CS(=O)(=O)c1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CC1(C)CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
CP(C)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
Cc1noc(C)c1-c1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CS(=O)(=O)c1c(ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F)C#N |r|
CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(c(ccc12)C#N)S(C)(=O)=O |r|
Cc1noc(C)c1-c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F
CC1(C)CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cn(C(C)C)c4ncccc34)nc2)CC1
OCc1ccn(n1)-c1ccc(Nc2cc3nc(OC4CCNCC4)ccc3cn2)c(F)c1
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCOCC3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCN(CC3)C(C)=O)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCOCC3)cc2n1 |r|
C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCCC3)cc2n1 |r|
CC(C)Nc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(OC4CCC4)ncc3F)cc2n1 |r|
CCc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(F)(F)F)cc2n1 |r|
CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|
CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(c(cc3F)C#N)C(F)(F)F)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CC5CCC(C4)O5)c(cc3F)C#N)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(N)=O)cc2n1 |r|
CC(C)N1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2C(=O)NCCc2c1
CCN1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
CN1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)Nc2c(Cl)cccc2Cl)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccccc2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccccc2Cl)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc(Cl)cc2Cl)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ncccc2Cl)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(F)cccc2F)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(F)cccc2C(F)(F)F)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(C)cc(C)cc2C)cc1
C[C@H]1CCC[C@@H](C)N1C(=O)c1sc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N
CN1CCN(CC1)c1ccc(Nc2nc(Cl)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1
CNc1nc(Nc2ccc(cc2)N2CCN(C)CC2)sc1C(=O)c1c(Cl)cccc1Cl
CN1CCN(CC1)c1ccc(Nc2nc(NC(C)=O)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1
CN1CCN(CC1)c1cccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c1
COc1cc(ccc1Nc1nc(N)c(s1)C(=O)c1c(Cl)cccc1Cl)N1CCN(C)CC1
COc1cc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)ccc1N1CCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)c1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)nc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)cn1
CN1CCN(CC1)C(=O)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1
CN1CCN(Cc2ccc(Nc3nc(N)c(s3)C(=O)c3c(Cl)cccc3Cl)cc2)CC1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
CN1CCN(CC1)c1cnc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)c1
CN1CCN(CC1)c1ncc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
Cc1nc(ccc1Nc1nc(N)c(s1)C(=O)c1c(Cl)cccc1Cl)N1CCOCC1
Cc1nc(ccc1Nc1nc(N)c(s1)C(=O)c1c(Cl)cccc1Cl)N1CCNCC1
CC1CN(C)CCN1c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
CC(C)C1CN(CCN1C)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
Cc1nc(ccc1Nc1nc(N)c(s1)C(=O)c1c(Cl)cccc1Cl)N1CCC(O)CC1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)|
CN1CC[C@@H]([C@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br
CN1CC[C@H]([C@@H](O)C1)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CCC(CC)c1cc(n2c(n1)ccn2)N[C@H]3CC[C@@H](C3)N
CC(O)CSc1nc(NCc2ccc(cc2)-n2cccn2)c2n[nH]c(C(C)C)c2n1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3cnccn3)nc(SCCN)nc12
NCCSc1nc(NCc2ccc(cc2)-n2cccn2)c2[nH]nc(C3CCC3)c2n1
NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCC3)c2n1
NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCCC3)c2n1
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3nccc(n3)-c3cccnc3)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3nccc(n3)-c3ccc(F)cc3OCc3ccccc3)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3nccc(n3)-c3cn(C)c4ccccc34)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3nccc(n3)-c3ccc4nn(C)c(C(C)C)c4c3)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3nccc(n3)-c3ccc4nc(C)n(C(C)C)c4c3)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3nccc(n3)-c3ccc4nnn(C(C)C)c4c3)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3nccc(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3cc(c(F)cn3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3cc(c(Cl)cn3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCN(C)CC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1CCN(Cc2cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc3N(CC)C(=O)COc23)CC1
CCN1C(=O)COc2c(CN3CCN(CC3)C(C)C)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCCCC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN(C)CCOC)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCSCC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN(C)CCNC)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCNCC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCS(=O)(=O)CC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCC(CC3)N3CCOCC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCN(CC3)C(C)=O)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCN(CC3)S(C)(=O)=O)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN(CC)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)cc2N(CC)C(=O)COc12
CCN1C(=O)COc2c(CN3CCC(C3)N(C)C)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCN(CC3)C3COC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1C(=O)COc2c(CN3CCOC[C@H]3C)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12 |r|
CCN1C(=O)COc2c(CN(C)CCN(C)C)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CN1CCN(CC1)c1ccc(Nc2ncc3nc(C(C)=O)c(=O)n(C4CCCC4)c3n2)cc1
CCN1CCN(CC1)c1ccc(Nc2ncc3nc(C(C)=O)c(=O)n(C4CCCC4)c3n2)cc1
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r|
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1
O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1
[O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
CC(C)c1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
CSc1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
CS(=O)c1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2n1C1CCCC1
COc1ccnc2c1c(-c1ccnc(N)n1)c1ccnc(N)n21
COc1ccnc2[nH]cc(-c3ccncn3)c12
COc1ccnc2[nH]cc(-c3ccnc(SC)n3)c12
Nc1nccc(n1)-c1c[nH]c2nc(Br)ccc12
COc1ccnc2n(C)cc(-c3ccnc(N)n3)c12
Cn1cc(-c2ccnc(N)n2)c2c(O)ccnc12
COCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
CCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nccc(n1)-c1c[nH]c2nccc(O)c12
Oc1ccnc2[nH]cc(-c3ccncn3)c12
Nc1nccc(n1)-c1c[nH]c2nccc(Cl)c12
CC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
Cn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
Cn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
CCn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
CCn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
CCCn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2nn(Cc3cccnc3)c3ccccc23)cc1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2nn(Cc3cccnc3)c3ccccc23)c1
NS(=O)(=O)c1ccc(Nc2nccc(n2)-n2ncc3ccccc23)cc1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-n2ncc3ccccc23)c1
CCCn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|
COc1ccc2c(c1)[nH]c1c(C)nccc21
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NC[C@@H](O)CO)nc12 |r|
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCC[C@H](O)[C@@H]3O)nc12 |r|
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO |r|
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12 |r|
CC(C)[C@H](N)C(=O)OC[C@H](O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
Cc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Nc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Cc1nc2CCc3cnc(Nc4cccc(O)c4)nc3-c2s1
Nc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
CN(C)c1ccc(Nc2ncc3CCc4nc(N)sc4-c3n2)cc1
Cc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(O)cc4)nc3-c2s1
CN(C)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Cc1nc2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c2s1
COC(=O)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1
Cc1nc2CCc3cnc(Nc4ccc(Cl)nc4)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c2s1
CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
Cc1nc2CCc3cnc(N)nc3-c2s1
CN(c1cccc(c1)[N+]([O-])=O)c1ncc2ccc3nc(C)sc3c2n1
Cc1nc2ccc3cnc(Nc4ccccc4)nc3c2s1
Cc1nc2ccc3cnc(NC(=O)c4ccccc4)nc3c2s1
Cc1nc2ccc3cnc(NCc4ccccc4)nc3c2s1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(CC(=O)N3CCCNCC3)c2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(O)cc2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCOCC2)ncc1C#N
CNc1nc(c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1)-c1ccccc1
CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1)-c1ccccc1
CC[C@@H](CO)Nc1nc(Cc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12 |r|
CC[C@H](CO)Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r|
CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r|
CC[C@H](CO)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12 |(21.22,-29.22,;22.26,-28.08,;23.76,-28.41,;21.78,-26.61,;22.69,-25.37,;21.78,-24.12,;20.31,-24.6,;18.98,-23.83,;18.96,-22.29,;20.3,-21.52,;20.29,-19.99,;21.61,-19.22,;21.59,-17.7,;22.92,-16.92,;20.27,-16.94,;18.94,-17.71,;18.95,-19.25,;17.63,-20.03,;17.65,-24.6,;17.65,-26.15,;16.3,-26.92,;16.3,-28.46,;14.96,-29.23,;14.95,-30.77,;16.29,-31.56,;16.28,-33.09,;17.63,-30.79,;17.64,-29.24,;18.98,-26.92,;20.31,-26.15,)|
CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12 |(10.04,-28.94,;11.08,-27.8,;12.58,-28.12,;10.6,-26.33,;11.51,-25.08,;10.6,-23.83,;9.13,-24.32,;7.79,-23.55,;7.78,-22.01,;9.12,-21.24,;9.11,-19.71,;10.43,-18.94,;10.41,-17.41,;11.74,-16.64,;9.08,-16.65,;7.76,-17.42,;7.77,-18.96,;6.45,-19.75,;6.47,-24.32,;6.47,-25.86,;5.12,-26.63,;5.12,-28.18,;3.78,-28.95,;3.77,-30.49,;5.11,-31.27,;5.1,-32.81,;6.45,-30.5,;6.46,-28.95,;7.79,-26.63,;9.13,-25.86,)|
CC(C)CNc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCC(C)(C)O)nc12
CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC(C)n1cnc2c(NCc3ccccc3N)nc(NCCC(C)(C)O)nc12
CC(C)n1cnc2c(NCc3ccccc3N)nc(NCC(C)(C)O)nc12
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCN(CC2)C(C)=O)ncc1C#N
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1O
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F
CNc1ncc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C#N
CCCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1Cl
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)|
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N
CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cc(ccc2Cl)C(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C(=O)N2CCOCC2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1F
CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Cc1nc(N)sc1-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
NCCOCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:21.21,t:18|
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15|
NCCOCCOCCO
O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Fc1cnc2[nH]cc(-c3nnc(N[C@H](C4CC4)c4cccnc4F)o3)c2c1 |r|
Fc1ccc2c(c[nH]c2n1)-c1nnc(N[C@H](C2CC2)c2cccnc2F)o1 |r|
Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncncc12)C1CC1 |r|
Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Fc1ncccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
CCOP(=O)(Cc1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1)OCC
CCOP(=O)(OCC)C(O)c1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
CCOP(=O)(Cc1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1)OCC
CCOP(=O)(Cc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C)OCC
OP(O)(=O)Cc1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
Nc1cccc(c1)-c1cc(Nc2ccc(CP(O)(O)=O)cc2)ncn1
CCOP(=O)(CC)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1)OCC
CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1)c1ccccc1
CCOP(=O)(CC)Cc1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1)OCC
CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1)c1ccccc1
CCOP(=O)(CC)Cc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1)OCC
CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1)c1ccccc1
CCOP(=O)(CC)Cc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1
CCCP(=O)(Cc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1)OCC
CCOP(=O)(CC)Cc1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
CCCP(=O)(Cc1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1)OCC
CCOP(=O)(CC)Cc1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1
CCCP(=O)(Cc1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1)OCC
CCOP(=O)(CC)Cc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C
CCOP(=O)(CC)Cc1cc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)ccc1C
CCOP(=O)(CC)Cc1cc(Nc2cc(ncn2)-c2cccc(N)c2)ccc1C
CCCP(O)(=O)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1
CCOP(=O)(CC)c1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1
CCOP(=O)(CC)c1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1
CCOP(=O)(CC)c1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1
CCOP(=O)(CC)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1
CCCP(=O)(OCC)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1
CCOP(=O)(c1ccccc1)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1
CCOP(=O)(CC)c1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
CCCP(=O)(OCC)c1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
CCOP(=O)(c1ccccc1)c1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
CCOP(=O)(CC)c1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1
CCCP(=O)(OCC)c1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1
CCOP(=O)(c1ccccc1)c1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1
CCOP(=O)(OCC)c1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1
CCOP(=O)(OCC)c1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1
CCOP(=O)(OCC)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1
CCOP(=O)(OCC)c1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
CCOP(=O)(OCC)c1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1
COc1ccccc1-c1cc(Nc2cccc(c2)P(O)(O)=O)ncn1
OP(O)(=O)c1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1
COc1ccccc1-c1cc(Nc2ccc(cc2)P(O)(O)=O)ncn1
Nc1cccc(c1)-c1cc(Nc2ccc(cc2)P(O)(O)=O)ncn1
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCC)c1)OCC
CCCOc1ccccc1-c1cc(Nc2cccc(CP(=O)(CCC)OCC)c2)ncn1
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC(C)C)c1)OCC
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2Oc2ccccc2)c1)OCC
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1)OCC
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(OC)c2)c1)OCC
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccc(OC)cc2)c1)OCC
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(OC)c2OC)c1)OCC
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)c1)OCC
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(OCc3ccccc3)c2)c1)OCC
CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2CC)c1)OCC
CCOP(=O)(CC)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1
CCP(O)(=O)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1
CCCP(O)(=O)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1
Cc1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1NS(C)(=O)=O
COc1ccccc1-c1cc(Nc2cccc(NS(N)(=O)=O)c2)ncn1
COc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
CCOP(=O)(CC)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C
CCCP(=O)(Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C)OC(C)C
CCOP(=O)(Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C)c1ccccc1
CCOP(=O)(CC)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C
CCCP(=O)(OC(C)C)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C
CCOP(=O)(Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C)c1ccccc1
CCOP(=O)(CC)Oc1cc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)ccc1C
CCCP(=O)(OC(C)C)Oc1cc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)ccc1C
CCOP(=O)(CC)Oc1cc(Nc2cc(ncn2)-c2cccc(N)c2)ccc1C
CCCP(=O)(OC(C)C)Oc1cc(Nc2cc(ncn2)-c2cccc(N)c2)ccc1C
CCOP(=O)(CC)Oc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1
CCCP(=O)(OC(C)C)Oc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1
CCOP(=O)(Oc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1)c1ccccc1
CCOP(=O)(CC)Oc1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1
CCCP(=O)(OC(C)C)Oc1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1
CCOP(=O)(Oc1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1)c1ccccc1
CCOP(=O)(CC)Oc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1
CCCP(=O)(OC(C)C)Oc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1
CCOP(=O)(Oc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1)c1ccccc1
CCOP(=O)(CC)Oc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1
CCCP(=O)(OC(C)C)Oc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1
CCOP(=O)(Oc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1)c1ccccc1
CCOP(=O)(CC)Oc1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
CCCP(=O)(OC(C)C)Oc1ccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)cc1
CCOP(=O)(CC)Oc1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1
CCCP(=O)(OC(C)C)Oc1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1
CCP(O)(=O)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C
CCCP(O)(=O)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C
CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1)OCC
CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1)OCC
CCOP(=O)(OCC)C(O)c1cccc(Nc2cc(ncn2)-c2cccc(c2)[N+]([O-])=O)c1
CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1)OCC
CCOP(=O)(OCC)C(O)c1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1
CCOP(=O)(Cc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1)OCC
CCOP(=O)(OCC)C(O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1
COc1ccccc1-c1cc(Nc2cccc(c2)S(N)(=O)=O)ncn1
NC(=O)c1sc(nc1-c1ccc(Cl)cc1Cl)-c1ccnc(N)n1
COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
O=C(\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12)c1ccccc1
O=C(Nc1ccccc1)\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12
COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(F)ccc1C
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)S(C)(=O)=O
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O
COc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(Cl)nc12)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(C)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
COc1ccc(cc1OC)-c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1
CN(\N=C\c1cnn2ccc(nc12)-c1cccnc1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
COc1ccc(cn1)-c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1
CN(\N=C\c1cnn2ccc(nc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
COc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1
CN(C)c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1
CN(\N=C\c1cnn2ccc(nc12)N1CCOCC1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Cc1ccc(cc1S(=O)(=O)NCCc1cnn2ccc(Cl)nc12)[N+]([O-])=O
CN(CCc1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(CCc1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C#N
Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O
Cc1ccc(cc1S(=O)(=O)n1ccc(n1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O
Cc1ccc(cc1S(=O)(=O)n1ccc(c1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccccc1
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccccc1C
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(C)c1
COc1cccc(c1)S(=O)(=O)N(C)\N=C\c1cnn2ccc(Cl)nc12
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(OC(F)(F)F)c1
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(c1)C#N
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(F)c1
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccc(F)cc1
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccc(F)c(F)c1
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccnc1
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccc[n+]([O-])c1
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(Br)ccc1C
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C(O)=O
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C(N)=O
CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C#N
C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r|
c1cc(ccc1Nc2c3cn[nH]c3ncn2)I
CCOC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C
Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
CN1CCN(CC1)C(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
CN1CCC(CC1)C(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Fc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1c(F)cccc1F
CN(C)CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
CC(=O)N1CCCN(CC1)C(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
COc1ccc(cc1Nc1ncc(F)c(Nc2ccc(F)cc2)n1)N1CCN(C)CC1
CN(C)CCNC(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
COCC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Fc1ccc(Nc2nc(Nc3cccc(NC(=O)c4ccncc4)c3)ncc2F)cc1
NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(N)c2s1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccncc1 |r|
Clc1cnc(NC2CCCC2)cc1-c1cnc(N2CCOCC2)c(NCC2CCOCC2)c1
CC(C)Oc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl |r|
Fc1ccc(nc1NCC1CCOCC1)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl |r|
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:19.20,wD:22.27,(35.27,-22.33,;36.78,-22.65,;37.26,-24.11,;37.81,-21.5,;39.33,-21.66,;40.11,-23,;39.96,-20.26,;38.81,-19.23,;38.82,-17.69,;37.48,-16.91,;36.15,-17.69,;36.15,-19.23,;37.48,-20,;34.82,-16.92,;34.82,-15.37,;33.48,-14.61,;32.15,-15.38,;32.15,-16.92,;30.81,-17.69,;30.81,-19.23,;32.15,-19.99,;32.14,-21.54,;30.8,-22.3,;29.47,-21.52,;29.48,-19.99,;30.79,-23.84,;29.46,-24.61,;28.13,-23.83,;26.8,-24.58,;26.78,-26.12,;28.11,-26.9,;29.46,-26.14,;33.48,-17.69,)|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Br)cc1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(F)cc1 |r|
CS(=O)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
NCCCNc1cc(c(Cl)cn1)-c1cncc(NCC2CCOCC2)c1
OCCNc1cc(c(Cl)cn1)-c1cncc(NCc2cccc(F)c2)c1
CS(=O)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1)C(F)(F)F |r|
OCCNc1cc(c(Cl)cn1)-c1cnc(N2CCOCC2)c(NCc2cccc(F)c2)c1
CS(=O)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(c2)C(F)(F)F)c1
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CC[C@@H](C2)NC(C)=O)c1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(C=C)cc1 |r|
COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1F |r|
C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1
NS(=O)(=O)c1ccc(Nc2ncc3nc[nH]c3n2)cc1
CCC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3nc[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nn[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cn[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cc[nH]c3n2)cc1