SMILES for Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]

C[C@@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(C=C(C)C)cc12 |r,wU:1.0,(5.92,-.1,;4.89,-1.25,;3.4,-.85,;2.31,-1.94,;2.71,-3.42,;4.2,-3.82,;5.29,-2.73,;.82,-1.54,;.42,-.05,;-1.06,.35,;-2.15,-.74,;-1.75,-2.23,;-.27,-2.63,;-1.46,1.83,;-.56,3.08,;-1.46,4.33,;-2.93,3.85,;-4.26,4.62,;-5.59,3.85,;-5.59,2.31,;-6.93,1.54,;-6.93,0,;-8.26,-.77,;-5.59,-.77,;-4.26,1.54,;-2.93,2.31,)|

BDBM239509

CC(C)=Cc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1 |(-8.26,-.77,;-6.93,0,;-5.59,-.77,;-6.93,1.54,;-5.59,2.31,;-5.59,3.85,;-4.26,4.62,;-2.93,3.85,;-1.46,4.33,;-.56,3.08,;-1.46,1.83,;-1.06,.35,;.42,-.05,;.82,-1.54,;-.27,-2.63,;-1.75,-2.23,;-2.15,-.74,;2.31,-1.94,;2.71,-3.42,;4.2,-3.82,;5.29,-2.73,;4.89,-1.25,;3.4,-.85,;6.77,-3.13,;7.17,-4.62,;7.17,-1.65,;8.26,-2.73,;-2.93,2.31,;-4.26,1.54,)|

BDBM239510

CN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(C=C(C)C)cc12 |(7.52,-3.53,;6.03,-3.13,;4.94,-4.22,;3.45,-3.82,;3.05,-2.34,;4.14,-1.25,;5.63,-1.65,;1.57,-1.94,;1.17,-.45,;-.32,-.05,;-1.41,-1.14,;-1.01,-2.63,;.48,-3.03,;-.72,1.44,;.19,2.68,;-.72,3.93,;-2.18,3.45,;-3.52,4.22,;-4.85,3.45,;-4.85,1.91,;-6.18,1.14,;-6.18,-.4,;-7.52,-1.17,;-4.85,-1.17,;-3.52,1.14,;-2.18,1.91,)|

BDBM239511

CN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(C=C(C)C)cc12 |(7.52,-3.53,;6.03,-3.13,;4.94,-4.22,;3.45,-3.82,;3.05,-2.34,;4.14,-1.25,;5.63,-1.65,;6.72,-.56,;1.57,-1.94,;1.17,-.45,;-.32,-.05,;-1.41,-1.14,;-1.01,-2.63,;.48,-3.03,;-.72,1.44,;.19,2.68,;-.72,3.93,;-2.18,3.45,;-3.52,4.22,;-4.85,3.45,;-4.85,1.91,;-6.18,1.14,;-6.18,-.4,;-7.52,-1.17,;-4.85,-1.17,;-3.52,1.14,;-2.18,1.91,)|

BDBM239512

C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(C=C(C)C)cc12 |r,wU:5.5,1.0,(5.74,-4.97,;5.34,-3.48,;3.85,-3.08,;3.45,-1.59,;4.54,-.5,;6.03,-.9,;7.12,.19,;6.43,-2.39,;1.97,-1.19,;1.57,.29,;.08,.69,;-1.01,-.4,;-.61,-1.88,;.88,-2.28,;-.32,2.18,;.59,3.43,;-.32,4.67,;-1.78,4.2,;-3.12,4.97,;-4.45,4.2,;-4.45,2.66,;-5.78,1.89,;-5.78,.35,;-7.12,-.42,;-4.45,-.42,;-3.12,1.89,;-1.78,2.66,)|

BDBM239513

CC(C)=Cc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |(-6.77,-1.17,;-5.44,-.4,;-4.11,-1.17,;-5.44,1.14,;-4.11,1.91,;-4.11,3.45,;-2.77,4.22,;-1.44,3.45,;.03,3.93,;.93,2.68,;.03,1.44,;.42,-.05,;1.91,-.45,;2.31,-1.94,;1.22,-3.03,;-.27,-2.63,;-.66,-1.14,;3.8,-2.34,;4.2,-3.82,;5.68,-4.22,;6.77,-3.13,;6.37,-1.65,;4.89,-1.25,;-1.44,1.91,;-2.77,1.14,)|

BDBM239514

C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccnc1

BDBM239515

CS(=O)(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccnc1

BDBM239517

FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccoc1

BDBM239518

FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccsc1

BDBM239519

FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)C1=CCNCC1 |t:27|

BDBM239520

COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)CC3)c2c1

BDBM239521

CC1(C)CC(=O)C=C(C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)CC3)c2c1 |c:6|

BDBM239522

FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cc[nH]n1

BDBM239523

FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1

BDBM239524

C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccoc1

BDBM239525

C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccsc1

BDBM239526

Cc1ncc(s1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

BDBM239527

CC1(C)CC(=O)C=C(C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |c:6|

BDBM239528

C1CC(=CCN1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |c:2|

BDBM239529

COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

BDBM239530

C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccn[nH]1

BDBM239531

Cc1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

BDBM239532

C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1

BDBM239533

O=C1CCCC(=C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |c:5|

BDBM239534

Clc1cc(ccn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

BDBM239535

Cc1n[nH]c(C)c1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

BDBM239536

COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1

BDBM239537

CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccs1

BDBM239538

CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccoc1

BDBM239539

COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(C)C)c2c1

BDBM239540

CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1

BDBM239541

CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccn[nH]1

BDBM239542

COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|

BDBM239543

C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1 |r|

BDBM239544

C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccn[nH]1 |r|

BDBM239545

C[C@@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1c(C)n[nH]c1C |r|

BDBM239546

CC(C)Cc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

BDBM239547

C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccccc12

BDBM254918

COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12

BDBM254919

Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12

BDBM254920

CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12

BDBM254921

N#Cc1c[nH]c2nccc(-c3ccsc3)c12

BDBM254922

N#Cc1c[nH]c2nccc(-c3ccc(CN4CCOCC4)cc3)c12

BDBM254923

N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12

BDBM254924

Cc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12

BDBM254925

CN(C)Cc1ccc(cc1C)-c1ccnc2[nH]cc(C#N)c12

BDBM254926

CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12

BDBM254927

COc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12

BDBM254928

Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N

BDBM254929

Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12

BDBM254930

Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1

BDBM254931

Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12

BDBM254932

Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12

BDBM254933

Cn1cc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)cn1

BDBM254934

N#Cc1c[nH]c2nc(Nc3ccccn3)cc(-c3ccccc3)c12

BDBM254935

Cc1cncc(c1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12

BDBM254936

Cc1ccnc(c1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12

BDBM254937

Cc1cn(C)nc1Nc1cc(-c2cccc(C)n2)c2c(c[nH]c2n1)C#N

BDBM254938

Cc1cccc(n1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12

BDBM254939

Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12

BDBM254940

Cc1cn(C)nc1Nc1cc(-c2ccnc(C)c2)c2c(c[nH]c2n1)C#N

BDBM593001

N[C@H]1CC[C@@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wD:4.4,1.0,(10,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-3.33,.77,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-10,3.08,;-8.67,3.85,;-7.34,3.08,;.67,-1.54,;6,-3.08,;7.34,-3.85,)|

BDBM593003

N[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:1.0,wD:4.4,(10,-3.85,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-3.33,.77,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-10,3.08,;-8.67,3.85,;-7.34,3.08,;.67,-1.54,;7.34,-.77,;8.67,-1.54,)|

BDBM593004

Cn1ccc(Nc2nccc(OC[C@@H]3CC[C@H](N)CC3)n2)n1 |r,wD:13.12,16.16,(-8.65,.74,;-7.12,.9,;-6.35,2.24,;-4.84,1.92,;-4.68,.38,;-3.35,-.38,;-2.02,.38,;-2.02,1.93,;-.68,2.69,;.65,1.93,;.65,.38,;1.98,-.38,;3.32,.38,;4.65,-.38,;5.99,.38,;7.32,-.38,;7.32,-1.93,;8.65,-2.69,;5.99,-2.69,;4.65,-1.93,;-.68,-.38,;-6.09,-.24,)|

BDBM593005

Cn1ccc(Nc2nccc(OC[C@H]3CC[C@H](N)CC3)n2)n1 |r,wU:16.16,wD:13.12,(-8.65,.74,;-7.12,.9,;-6.35,2.24,;-4.84,1.92,;-4.68,.38,;-3.35,-.38,;-2.02,.38,;-2.02,1.93,;-.68,2.69,;.65,1.93,;.65,.38,;1.98,-.38,;3.32,.38,;4.65,-.38,;4.65,-1.93,;5.99,-2.69,;7.32,-1.93,;8.65,-2.69,;7.32,-.38,;5.99,.38,;-.68,-.38,;-6.09,-.24,)|

BDBM593023

N[C@H]1CC[C@H](COc2ccnc(Nc3ccn(CC(F)F)n3)n2)CC1 |r,wU:1.0,wD:4.4,(9.89,-3.04,;8.55,-2.27,;7.22,-3.04,;5.89,-2.27,;5.89,-.73,;4.55,.04,;3.22,-.73,;1.88,.04,;1.88,1.58,;.55,2.35,;-.78,1.58,;-.78,.04,;-2.12,-.73,;-3.45,.04,;-3.61,1.57,;-5.12,1.89,;-5.89,.56,;-7.42,.4,;-8.36,1.62,;-9.89,1.41,;-7.78,3.04,;-4.86,-.59,;.55,-.73,;7.22,.04,;8.55,-.73,)|

BDBM593024

N[C@H]1CC[C@H](COc2ccnc(Nc3cccc(c3)N3CCOCC3)n2)CC1 |r,wU:1.0,wD:4.4,(10,-2.7,;8.67,-1.93,;7.34,-2.7,;6,-1.93,;6,-.39,;4.67,.38,;3.33,-.39,;2,.38,;2,1.92,;.67,2.69,;-.67,1.92,;-.67,.38,;-2,-.39,;-3.33,.38,;-3.33,1.92,;-4.67,2.7,;-6,1.92,;-6,.38,;-4.67,-.39,;-7.34,-.39,;-8.67,.38,;-10,-.39,;-10,-1.93,;-8.67,-2.7,;-7.34,-1.93,;.67,-.39,;7.34,.38,;8.67,-.39,)|

BDBM593025

N[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2C(F)(F)F)CC1 |r,wU:1.0,wD:4.4,(10,-3.85,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;.67,-1.54,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-10,3.08,;-10,1.54,;-8.67,.77,;-.67,.77,;.67,1.54,;2.05,.8,;3.38,1.57,;4.72,2.34,;2.61,2.9,;4.15,.23,;7.34,-.77,;8.67,-1.54,)|

BDBM593026

COc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OC[C@H]1CC[C@H](N)CC1 |r,wU:26.29,wD:23.25,(4.67,.77,;3.33,1.54,;2,.77,;.67,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-10,3.08,;-10,1.54,;-8.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;10,-3.85,;8.67,-1.54,;7.34,-.77,)|

BDBM593027

N[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1 |r,wU:1.0,wD:4.4,(10,-3.85,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;.67,-1.54,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-10,3.08,;-10,1.54,;-8.67,.77,;-.67,.77,;.67,1.54,;2,.77,;3.33,1.54,;7.34,-.77,;8.67,-1.54,)|

BDBM593028

N[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1 |r,wU:1.0,wD:4.4,(10,-3.85,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;.67,-1.54,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-10,3.08,;-10,1.54,;-8.67,.77,;-.67,.77,;.67,1.54,;2,.77,;3.33,1.54,;7.34,-.77,;8.67,-1.54,)|

BDBM593029

NC1CCCC(COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)C1

BDBM593030

NC[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:2.1,wD:5.5,(10.67,-3.08,;9.34,-3.85,;8,-3.08,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;,-1.54,;6.67,-.77,;8,-1.54,)|

BDBM593031

COc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OC[C@H]1CC[C@H](CN)CC1 |r,wU:26.29,wD:23.25,(4,.77,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;8,-1.54,;6.67,-.77,)|

BDBM593032

NC[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1 |r,wU:2.1,wD:5.5,(10.67,-3.08,;9.34,-3.85,;8,-3.08,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;6.67,-.77,;8,-1.54,)|

BDBM593034

N[C@H]1CC[C@@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)C1 |r|

BDBM593035

N[C@H]1CC[C@@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)C1 |r|

BDBM593039

C(Oc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)C1CCNCC1

BDBM593040

CC(C)(C#N)n1cc(Nc2ncc(F)c(OCC3CCNCC3)n2)cn1

BDBM593041

Cc1nn(cc1Nc1nccc(OCC2(F)CCNCC2)n1)C(C)(C)C#N

BDBM593042

Cc1nn(cc1Nc1ncc(Cl)c(OCC2(F)CCNCC2)n1)C(C)(C)C#N

BDBM593043

Cc1nn(cc1Nc1ncc(Cl)c(OCC2(F)CCNCC2)n1)C1CC(C1)C#N |(-.43,2.82,;-1.57,1.79,;-3.08,2.11,;-3.85,.78,;-2.82,-.37,;-1.41,.26,;-.08,-.51,;1.26,.26,;1.26,1.8,;2.59,2.57,;3.92,1.8,;5.26,2.57,;3.92,.26,;5.26,-.51,;6.59,.26,;7.92,-.51,;7.92,1.03,;7.92,-2.05,;9.26,-2.82,;10.59,-2.05,;10.59,-.51,;9.26,.26,;2.59,-.51,;-5.38,.62,;-6.61,1.55,;-7.56,.32,;-6.31,-.61,;-9.09,.11,;-10.61,-.09,)|

BDBM593044

Cc1c(Nc2ncc(Cl)c(OCC3(F)CCNCC3)n2)cnn1C1CC(C1)C#N |(-3.14,-1.75,;-2.82,-.24,;-1.41,.38,;-.08,-.38,;1.26,.38,;1.26,1.93,;2.59,2.69,;3.92,1.93,;5.26,2.69,;3.92,.38,;5.26,-.38,;6.59,.38,;7.92,-.38,;7.92,1.15,;7.92,-1.93,;9.26,-2.69,;10.59,-1.93,;10.59,-.38,;9.26,.39,;2.59,-.38,;-1.57,1.92,;-3.08,2.24,;-3.85,.9,;-5.38,.74,;-6.61,1.67,;-7.56,.45,;-6.31,-.48,;-9.09,.24,;-10.61,.03,)|

BDBM593045

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3(F)CCNCC3)n2)cc1 |r|

BDBM593046

Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1(F)CCNCC1

BDBM593047

Cc1nn(cc1Nc1ncc(F)c(OCC2(F)CCNCC2)n1)C(C)(C)C#N

BDBM593048

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CCNCC2F)n1)C1CC(C1)C#N |(-.43,2.82,;-1.57,1.79,;-3.08,2.11,;-3.85,.78,;-2.82,-.37,;-1.41,.26,;-.08,-.51,;1.26,.26,;1.26,1.8,;2.59,2.57,;3.92,1.8,;5.26,2.57,;3.92,.26,;5.26,-.51,;6.59,.26,;7.92,-.51,;7.92,-2.05,;9.26,-2.82,;10.59,-2.05,;10.59,-.51,;9.26,.26,;9.26,1.8,;2.59,-.51,;-5.38,.62,;-6.61,1.55,;-7.56,.32,;-6.31,-.61,;-9.09,.11,;-10.61,-.09,)|

BDBM593049

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CNC2)n1)C(C)(C)C#N

BDBM593050

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CC3(CNC3)C2)n1)C(C)(C)C#N

BDBM593051

Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCNCC1(F)F

BDBM593052

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCNCC3(F)F)n2)cc1 |r|

BDBM593053

CN[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:2.1,wD:5.5,(10.67,-3.08,;9.34,-3.85,;8,-3.08,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;,-1.54,;6.67,-.77,;8,-1.54,)|

BDBM593054

CN[C@H]1CC[C@H](COc2ccnc(Nc3cn(nc3C)C(C)(C)C#N)n2)CC1 |r,wU:5.5,wD:2.1,(3.45,10.74,;2.12,9.97,;2.12,8.43,;.79,7.66,;.79,6.12,;2.12,5.35,;2.12,3.81,;.79,3.04,;.79,1.5,;2.12,.73,;2.12,-.81,;.79,-1.58,;-.55,-.81,;-1.88,-1.58,;-1.88,-3.12,;-3.13,-4.03,;-2.65,-5.49,;-1.11,-5.49,;-.64,-4.03,;.83,-3.55,;-3.56,-6.74,;-4.8,-5.83,;-2.31,-7.64,;-4.46,-7.98,;-5.37,-9.23,;-.55,.73,;3.45,6.12,;3.45,7.66,)|

BDBM593055

CN[C@H]1CC[C@H](COc2ccnc(Nc3cnn(c3)C(C)C)n2)CC1 |r,wU:2.1,wD:5.5,(9.78,-1.93,;8.45,-2.69,;7.11,-1.93,;5.78,-2.69,;4.45,-1.93,;4.45,-.38,;3.11,.38,;1.78,-.38,;.45,.38,;.45,1.93,;-.89,2.69,;-2.22,1.93,;-2.22,.38,;-3.56,-.38,;-4.89,.38,;-5.05,1.92,;-6.56,2.24,;-7.33,.9,;-6.3,-.24,;-8.86,.74,;-9.44,-.68,;-9.78,1.97,;-.89,-.38,;5.78,.39,;7.11,-.38,)|

BDBM593056

CN[C@H]1CC[C@H](COc2ccnc(Nc3cc(F)c(cc3OC)C(=O)N3CCOCC3)n2)CC1 |r,wU:2.1,wD:5.5,(11.34,-2.69,;10,-3.47,;8.67,-2.69,;7.34,-3.47,;6,-2.69,;6,-1.15,;4.67,-.38,;3.33,-1.15,;2,-.38,;2,1.15,;.67,1.93,;-.67,1.15,;-.67,-.38,;-2,-1.15,;-3.33,-.38,;-3.33,1.15,;-4.67,1.92,;-4.67,3.46,;-6,1.15,;-6,-.38,;-4.67,-1.15,;-4.67,-2.69,;-6,-3.47,;-7.34,1.93,;-7.34,3.47,;-8.67,1.15,;-10,1.93,;-11.34,1.15,;-11.34,-.38,;-10,-1.15,;-8.67,-.38,;.67,-1.15,;7.34,-.38,;8.67,-1.15,)|

BDBM593057

CN[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2OC)CC1 |r,wU:2.1,wD:5.5,(10.67,-3.08,;9.34,-3.85,;8,-3.08,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;4,.77,;6.67,-.77,;8,-1.54,)|

BDBM593058

CN[C@H]1CC[C@H](COc2nc(Nc3cc(F)c(cc3OC)C(=O)N3CCOCC3)ncc2OC)CC1 |r,wU:2.1,wD:5.5,(11.34,-2.69,;10,-3.47,;8.67,-2.69,;7.34,-3.47,;6,-2.69,;6,-1.15,;4.67,-.38,;3.33,-1.15,;2,-.38,;.67,-1.15,;-.67,-.38,;-2,-1.15,;-3.33,-.38,;-3.33,1.15,;-4.67,1.92,;-4.67,3.46,;-6,1.15,;-6,-.38,;-4.67,-1.15,;-4.67,-2.69,;-6,-3.47,;-7.34,1.93,;-7.34,3.47,;-8.67,1.15,;-10,1.93,;-11.34,1.15,;-11.34,-.38,;-10,-1.15,;-8.67,-.38,;-.67,1.15,;.67,1.93,;2,1.15,;3.33,1.93,;4.67,1.15,;7.34,-.38,;8.67,-1.15,)|

BDBM593059

CN[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2OC)CC1 |r,wU:5.5,wD:2.1,(3.41,10.81,;2.08,10.04,;2.08,8.5,;.75,7.73,;.75,6.19,;2.08,5.42,;2.08,3.88,;.75,3.11,;.75,1.57,;-.59,.8,;-.59,-.74,;-1.92,-1.51,;-1.92,-3.05,;-3.17,-3.95,;-2.69,-5.42,;-1.15,-5.42,;-.68,-3.95,;.79,-3.48,;-3.6,-6.66,;-4.84,-5.76,;-2.35,-7.57,;-4.5,-7.91,;-5.41,-9.16,;.75,-1.51,;2.08,-.74,;2.08,.8,;3.41,1.57,;4.75,.8,;3.41,6.19,;3.41,7.73,)|

BDBM593060

CN[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1 |r,wU:2.1,wD:5.5,(10.67,-3.08,;9.34,-3.85,;8,-3.08,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;6.67,-.77,;8,-1.54,)|

BDBM593061

CN[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2Cl)CC1 |r,wU:5.5,wD:2.1,(3.43,10.78,;2.1,10.01,;2.1,8.47,;.76,7.7,;.76,6.16,;2.1,5.39,;2.1,3.85,;.76,3.08,;.76,1.54,;-.57,.77,;-.57,-.77,;-1.9,-1.54,;-1.9,-3.08,;-3.15,-3.99,;-2.67,-5.45,;-1.13,-5.45,;-.66,-3.99,;.81,-3.51,;-3.58,-6.7,;-4.82,-5.79,;-2.33,-7.6,;-4.48,-7.94,;-5.39,-9.19,;.76,-1.54,;2.1,-.77,;2.1,.77,;3.43,1.54,;3.43,6.16,;3.43,7.7,)|

BDBM593062

CN[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C3CC(C3)C#N)ncc2Cl)CC1 |r,wU:2.1,wD:5.5,(11.92,-2.05,;10.59,-2.82,;9.26,-2.05,;7.92,-2.82,;6.59,-2.05,;6.59,-.51,;5.26,.26,;3.92,-.51,;2.59,.26,;1.26,-.51,;-.08,.26,;-1.41,-.51,;-2.75,.26,;-4.15,-.37,;-5.18,.78,;-4.41,2.11,;-2.91,1.79,;-1.76,2.82,;-6.71,.62,;-7.94,1.55,;-8.9,.32,;-7.65,-.61,;-10.42,.11,;-11.95,-.09,;-.08,1.8,;1.26,2.57,;2.59,1.8,;3.92,2.57,;7.92,.26,;9.26,-.51,)|

BDBM593063

CN[C@H]1CC[C@H](COc2nc(Nc3cnn(c3)C(C)C)ncc2Cl)CC1 |r,wU:2.1,wD:5.5,(9.78,-1.92,;8.45,-2.69,;7.11,-1.93,;5.78,-2.69,;4.45,-1.93,;4.45,-.38,;3.11,.38,;1.78,-.38,;.45,.38,;-.89,-.38,;-2.22,.38,;-3.56,-.38,;-4.89,.38,;-5.05,1.92,;-6.56,2.24,;-7.33,.9,;-6.3,-.24,;-8.86,.74,;-9.44,-.68,;-9.78,1.97,;-2.22,1.93,;-.89,2.69,;.45,1.93,;1.78,2.69,;5.78,.39,;7.11,-.38,)|

BDBM593064

CN[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1 |r,wU:2.1,wD:5.5,(10.67,-3.08,;9.34,-3.85,;8,-3.08,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;6.67,-.77,;8,-1.54,)|

BDBM593065

CN[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)CC1 |r,wU:5.5,wD:2.1,(3.43,10.78,;2.1,10.01,;2.1,8.47,;.76,7.7,;.76,6.16,;2.1,5.39,;2.1,3.85,;.76,3.08,;.76,1.54,;-.57,.77,;-.57,-.77,;-1.9,-1.54,;-1.9,-3.08,;-3.15,-3.99,;-2.67,-5.45,;-1.13,-5.45,;-.66,-3.99,;.81,-3.51,;-3.58,-6.7,;-4.82,-5.79,;-2.33,-7.6,;-4.48,-7.94,;-5.39,-9.19,;.76,-1.54,;2.1,-.77,;2.1,.77,;3.43,1.54,;3.43,6.16,;3.43,7.7,)|

BDBM593066

CN[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2C)CC1 |r,wU:5.5,wD:2.1,(3.43,10.78,;2.1,10.01,;2.1,8.47,;.76,7.7,;.76,6.16,;2.1,5.39,;2.1,3.85,;.76,3.08,;.76,1.54,;-.57,.77,;-.57,-.77,;-1.9,-1.54,;-1.9,-3.08,;-3.15,-3.99,;-2.67,-5.45,;-1.13,-5.45,;-.66,-3.99,;.81,-3.51,;-3.58,-6.7,;-4.82,-5.79,;-2.33,-7.6,;-4.48,-7.94,;-5.39,-9.19,;.76,-1.54,;2.1,-.77,;2.1,.77,;3.43,1.54,;3.43,6.16,;3.43,7.7,)|

BDBM593067

CN[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2C2CC2)CC1 |r,wU:2.1,wD:5.5,(10.67,-3.08,;9.34,-3.85,;8,-3.08,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;4.21,1.54,;3.44,2.87,;6.67,-.77,;8,-1.54,)|

BDBM593068

CN[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2C2CC2)CC1 |r,wU:5.5,wD:2.1,(7.61,-8.11,;7.61,-6.57,;6.28,-5.8,;6.28,-4.26,;4.94,-3.49,;3.61,-4.26,;2.28,-3.49,;2.28,-1.95,;.94,-1.18,;.94,.36,;-.39,1.13,;-.39,2.67,;-1.72,3.44,;-1.89,4.97,;-3.39,5.29,;-4.16,3.96,;-3.13,2.81,;-3.45,1.31,;-4.02,6.7,;-2.61,7.32,;-5.43,6.07,;-4.65,8.1,;-5.27,9.51,;-1.72,.36,;-1.72,-1.18,;-.39,-1.95,;-.39,-3.49,;.38,-4.82,;-1.16,-4.82,;3.61,-5.8,;4.94,-6.57,)|

BDBM593069

CNC1CCCC(COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)C1

BDBM593070

CNC[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:3.2,wD:6.6,(11.34,-3.85,;10,-3.08,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-.67,-1.54,;6,-.77,;7.34,-1.54,)|

BDBM593071

CNC[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1 |r,wU:3.2,wD:6.6,(11.34,-3.85,;10,-3.08,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;6,-.77,;7.34,-1.54,)|

BDBM593072

CNC[C@H]1CC[C@H](COc2nc(Nc3cnn(C4CC(C4)C#N)c3C)ncc2Cl)CC1 |r,wU:3.2,wD:6.6,(12.59,-2.69,;11.26,-1.92,;9.92,-2.69,;8.59,-1.93,;7.26,-2.69,;5.92,-1.93,;5.92,-.38,;4.59,.38,;3.26,-.38,;1.92,.38,;.59,-.38,;-.75,.38,;-2.08,-.38,;-3.41,.38,;-3.57,1.92,;-5.08,2.24,;-5.85,.9,;-7.38,.74,;-8.61,1.67,;-9.56,.45,;-8.31,-.48,;-11.09,.24,;-12.61,.03,;-4.82,-.24,;-5.14,-1.75,;-.75,1.93,;.59,2.69,;1.92,1.93,;3.26,2.69,;7.26,.39,;8.59,-.38,)|

BDBM593073

CNC[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C3CC(C3)C#N)ncc2Cl)CC1 |r,wU:3.2,wD:6.6,(12.59,-2.82,;11.26,-2.05,;9.92,-2.82,;8.59,-2.05,;7.26,-2.82,;5.92,-2.05,;5.92,-.51,;4.59,.26,;3.26,-.51,;1.92,.26,;.59,-.51,;-.75,.26,;-2.08,-.51,;-3.41,.26,;-4.82,-.37,;-5.85,.78,;-5.08,2.11,;-3.57,1.79,;-2.43,2.82,;-7.38,.62,;-8.61,1.55,;-9.56,.32,;-8.31,-.61,;-11.09,.11,;-12.61,-.09,;-.75,1.8,;.59,2.57,;1.92,1.8,;3.26,2.57,;7.26,.26,;8.59,-.51,)|

BDBM593074

CN[C@H]1CC[C@@H](COc2nc(Nc3cnn(C4CC(C4)C#N)c3C)ncc2Cl)C1 |r,wU:5.5,2.1,(11.71,-2.19,;10.76,-.97,;9.23,-1.13,;8.46,-2.47,;6.96,-2.15,;6.79,-.61,;5.46,.16,;4.13,-.61,;2.79,.16,;1.46,-.61,;.13,.16,;-1.21,-.61,;-2.53,.16,;-2.69,1.69,;-4.19,2.01,;-4.96,.67,;-6.5,.51,;-7.72,1.45,;-8.68,.22,;-7.43,-.71,;-10.2,.01,;-11.73,-.2,;-3.93,-.47,;-4.25,-1.98,;.13,1.7,;1.46,2.47,;2.79,1.7,;4.13,2.47,;8.2,.01,)|

BDBM593075

CN[C@H]1CC[C@@H](COc2nc(Nc3cn(nc3C)C3CC(C3)C#N)ncc2Cl)C1 |r,wU:5.5,2.1,(11.71,-2.32,;10.76,-1.1,;9.23,-1.26,;8.46,-2.59,;6.96,-2.27,;6.79,-.74,;5.46,.03,;4.13,-.74,;2.79,.03,;1.46,-.74,;.13,.03,;-1.21,-.74,;-2.53,.03,;-3.93,-.6,;-4.96,.55,;-4.19,1.88,;-2.69,1.56,;-1.54,2.59,;-6.5,.39,;-7.72,1.32,;-8.68,.09,;-7.43,-.84,;-10.2,-.12,;-11.73,-.32,;.13,1.57,;1.46,2.34,;2.79,1.57,;4.13,2.34,;8.2,-.11,)|

BDBM593076

CNC1(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1

BDBM593077

COc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OC[C@H]1CC[C@@H](CC1)N(C)C |r,wU:26.32,wD:23.25,(4,1.54,;2.67,2.31,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;-2.67,-.77,;-4,,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-5.33,2.31,;-4,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-9.34,4.62,;-8,3.85,;,-.77,;1.33,,;2.67,-.77,;4,,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,-3.08,;10.67,-2.31,;9.34,-4.62,)|

BDBM593078

CN1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1

BDBM593079

CN1CCC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2Cl)CC1

BDBM593080

CN1CCC(COc2nc(Nc3cnn(C4CC(C4)C#N)c3C)ncc2Cl)CC1 |(11.26,-2.69,;9.92,-1.93,;8.59,-2.69,;7.26,-1.93,;7.26,-.38,;5.92,.38,;4.59,-.38,;3.26,.38,;1.92,-.38,;.59,.38,;-.75,-.38,;-2.08,.38,;-2.24,1.92,;-3.75,2.24,;-4.52,.9,;-6.05,.74,;-7.27,1.67,;-8.23,.45,;-6.98,-.48,;-9.75,.24,;-11.28,.03,;-3.49,-.24,;-3.81,-1.75,;.59,1.93,;1.92,2.69,;3.26,1.93,;4.59,2.69,;8.59,.38,;9.92,-.38,)|

BDBM593081

CN1CCC(COc2nc(Nc3cn(nc3C)C3CC(C3)C#N)ncc2Cl)CC1 |(11.26,-2.82,;9.92,-2.05,;8.59,-2.82,;7.26,-2.05,;7.26,-.51,;5.92,.26,;4.59,-.51,;3.26,.26,;1.92,-.51,;.59,.26,;-.75,-.51,;-2.08,.26,;-3.49,-.37,;-4.52,.78,;-3.75,2.11,;-2.24,1.79,;-1.1,2.82,;-6.05,.62,;-7.27,1.55,;-8.23,.32,;-6.98,-.61,;-9.75,.11,;-11.28,-.09,;.59,1.8,;1.92,2.57,;3.26,1.8,;4.59,2.57,;8.59,.26,;9.92,-.51,)|

BDBM593082

CN1CCC(F)(COc2ccnc(Nc3cn(nc3C)C(C)(C)C#N)n2)CC1

BDBM593083

CN1CCC(F)(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2Cl)CC1

BDBM593084

CN1CCC(F)(COc2nc(Nc3cn(nc3C)C3CC(C3)C#N)ncc2Cl)CC1 |(11.26,-2.82,;9.92,-2.05,;8.59,-2.82,;7.26,-2.05,;7.26,-.51,;7.26,1.03,;5.92,.26,;4.59,-.51,;3.26,.26,;1.92,-.51,;.59,.26,;-.75,-.51,;-2.08,.26,;-3.49,-.37,;-4.52,.78,;-3.75,2.11,;-2.24,1.79,;-1.1,2.82,;-6.05,.62,;-7.27,1.55,;-8.23,.32,;-6.98,-.61,;-9.75,.11,;-11.28,-.09,;.59,1.8,;1.92,2.57,;3.26,1.8,;4.59,2.57,;8.59,.26,;9.92,-.51,)|

BDBM593085

CN1CCC(COc2nc(Nc3cn(nc3C)C3CC(C3)C#N)ncc2Cl)C(F)C1 |(11.26,-2.82,;9.92,-2.05,;8.59,-2.82,;7.26,-2.05,;7.26,-.51,;5.92,.26,;4.59,-.51,;3.26,.26,;1.92,-.51,;.59,.26,;-.75,-.51,;-2.08,.26,;-3.49,-.37,;-4.52,.78,;-3.75,2.11,;-2.24,1.79,;-1.1,2.82,;-6.05,.62,;-7.27,1.55,;-8.23,.32,;-6.98,-.61,;-9.75,.11,;-11.28,-.09,;.59,1.8,;1.92,2.57,;3.26,1.8,;4.59,2.57,;8.59,.26,;8.59,1.8,;9.92,-.51,)|

BDBM593086

CN1CCC(F)(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1

BDBM593087

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3(F)CCN(C)CC3)n2)cc1 |r|

BDBM593088

CN1CCC(F)(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)CC1

BDBM593089

CN1CCC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)CC1

BDBM593090

CN1CC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2Cl)C1

BDBM593091

CN1CC(F)(COc2nc(Nc3cn(nc3C)C3CC(C3)C#N)ncc2Cl)C1 |(10.19,-3.28,;9.42,-1.94,;7.93,-1.54,;8.33,-.06,;8.33,1.48,;6.99,.71,;5.66,-.06,;4.33,.71,;2.99,-.06,;1.66,.71,;.33,-.06,;-1.01,.71,;-2.41,.09,;-3.45,1.23,;-2.68,2.57,;-1.17,2.25,;-.02,3.28,;-4.98,1.07,;-6.2,2,;-7.16,.78,;-5.91,-.15,;-8.68,.57,;-10.21,.36,;1.66,2.25,;2.99,3.02,;4.33,2.25,;5.66,3.02,;9.82,-.45,)|

BDBM593092

CN1CC2(CC(COc3nc(Nc4cn(nc4C)C(C)(C)C#N)ncc3Cl)C2)C1

BDBM593093

CC1(CC1)C(=O)N[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:7.7,wD:10.11,(12,-2.41,;10.67,-3.18,;9.9,-4.52,;11.44,-4.52,;9.34,-2.41,;9.34,-.87,;8,-3.18,;6.67,-2.41,;5.33,-3.18,;4,-2.41,;4,-.87,;2.67,-.1,;1.33,-.87,;,-.1,;,1.44,;-1.33,2.21,;-2.67,1.44,;-2.67,-.1,;-4,-.87,;-5.33,-.1,;-6.67,-.87,;-8,-.1,;-8,1.44,;-6.67,2.21,;-5.33,1.44,;-9.34,2.21,;-9.34,3.75,;-10.67,4.52,;-12,3.75,;-12,2.21,;-10.67,1.44,;-1.33,-.87,;5.33,-.1,;6.67,-.87,)|

BDBM593094

CC(=O)N[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:4.3,wD:7.7,(11.34,-3.85,;10,-3.08,;10,-1.54,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-.67,-1.54,;6,-.77,;7.34,-1.54,)|

BDBM593095

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nccc(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)cc1 |r,wU:23.27,1.0,5.5,wD:20.20,(-9.34,4.62,;-9.34,3.08,;-8,2.31,;-8,.77,;-9.34,,;-10.67,.77,;-12,,;-10.67,2.31,;-6.67,,;-6.67,-1.54,;-5.33,-2.31,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;1.33,,;1.33,-1.54,;2.67,-2.31,;4,-1.54,;5.33,-2.31,;5.33,-3.85,;6.67,-4.62,;8,-3.85,;8,-2.31,;6.67,-1.54,;9.34,-4.62,;10.67,-3.85,;12,-4.62,;10.67,-2.31,;,-2.31,;-4,,;-5.33,.77,)|

BDBM593096

CC(=O)N[C@H]1CC[C@H](COc2ccnc(Nc3cn(nc3C)C(C)(C)C#N)n2)CC1 |r,wU:7.7,wD:4.3,(3.28,11.43,;3.28,9.89,;4.62,9.12,;1.95,9.12,;1.95,7.58,;.62,6.81,;.62,5.27,;1.95,4.5,;1.95,2.96,;.62,2.19,;.62,.65,;1.95,-.12,;1.95,-1.66,;.62,-2.43,;-.72,-1.66,;-2.05,-2.43,;-2.05,-3.97,;-3.3,-4.87,;-2.82,-6.34,;-1.28,-6.34,;-.81,-4.87,;.66,-4.4,;-3.73,-7.58,;-4.97,-6.68,;-2.48,-8.49,;-4.63,-8.83,;-5.54,-10.08,;-.72,-.12,;3.28,5.27,;3.28,6.81,)|

BDBM593097

CC(=O)N[C@H]1CC[C@H](COc2ccnc(Nc3cn(nc3C)C3CC(C3)C#N)n2)CC1 |r,wU:4.3,wD:7.7,(12.59,-2.82,;11.26,-2.05,;11.26,-.51,;9.92,-2.82,;8.59,-2.05,;7.26,-2.82,;5.92,-2.05,;5.92,-.51,;4.59,.26,;3.26,-.51,;1.92,.26,;1.92,1.8,;.59,2.57,;-.75,1.8,;-.75,.26,;-2.08,-.51,;-3.41,.26,;-4.82,-.37,;-5.85,.78,;-5.08,2.11,;-3.57,1.79,;-2.43,2.82,;-7.38,.62,;-8.61,1.55,;-9.56,.32,;-8.31,-.61,;-11.09,.11,;-12.61,-.09,;.59,-.51,;7.26,.26,;8.59,-.51,)|

BDBM593098

CC(C)n1cc(Nc2nccc(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)cn1 |r,wU:17.20,wD:14.13,(-10.44,1.99,;-9.53,.74,;-10.16,-.66,;-8,.9,;-6.97,-.24,;-5.57,.38,;-4.23,-.38,;-2.9,.38,;-2.9,1.93,;-1.56,2.69,;-.23,1.93,;-.23,.38,;1.1,-.38,;2.44,.38,;3.77,-.38,;3.77,-1.93,;5.1,-2.69,;6.44,-1.93,;6.44,-.38,;5.1,.38,;7.77,-2.69,;9.11,-1.93,;10.44,-2.69,;9.11,-.38,;-1.56,-.38,;-5.73,1.92,;-7.23,2.24,)|

BDBM593099

CC(=O)NC12CCC(COc3ccnc(Nc4ccc(cc4)N4CCOCC4)n3)(CC1)CC2

BDBM593100

CC(=O)NC12CCC(COc3ccnc(Nc4cn(nc4C)C(C)(C)C#N)n3)(CC1)CC2

BDBM593101

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nccc(OCC34C5C6C3C3C4C5C63NC(C)=O)n2)cc1 |r,wU:1.0,5.5,(-9.3,4.68,;-9.3,3.14,;-7.97,2.37,;-7.97,.83,;-9.3,.06,;-10.63,.83,;-11.97,.06,;-10.63,2.37,;-6.63,.06,;-6.63,-1.48,;-5.3,-2.25,;-3.96,-1.48,;-2.63,-2.25,;-1.3,-1.48,;-1.3,.06,;.04,.83,;1.37,.06,;1.37,-1.48,;2.7,-2.25,;4.04,-1.48,;5.53,-2.25,;6.6,-3.6,;6.5,-4.67,;5.4,-3.79,;6.63,-3.14,;6.77,-1.6,;7.85,-2.49,;7.71,-4.02,;9.3,-4.68,;10.63,-3.91,;11.97,-4.68,;10.63,-2.37,;.04,-2.25,;-3.96,.06,;-5.3,.83,)|

BDBM593102

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1 |r,wU:4.3,wD:7.7,(11.34,-3.85,;10,-3.08,;10,-1.54,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;6,-.77,;7.34,-1.54,)|

BDBM593103

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2Cl)CC1 |r,wU:7.7,wD:4.3,(3.25,11.49,;3.25,9.95,;4.58,9.18,;1.91,9.18,;1.91,7.64,;.58,6.87,;.58,5.33,;1.91,4.56,;1.91,3.02,;.58,2.25,;.58,.71,;-.75,-.06,;-.75,-1.6,;-2.09,-2.37,;-2.09,-3.91,;-3.33,-4.81,;-2.86,-6.28,;-1.32,-6.28,;-.84,-4.81,;.62,-4.34,;-3.76,-7.52,;-5.01,-6.62,;-2.52,-8.43,;-4.67,-8.77,;-5.57,-10.01,;.58,-2.37,;1.91,-1.6,;1.91,-.06,;3.25,.71,;3.25,5.33,;3.25,6.87,)|

BDBM593104

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.34,-3.85,;10,-3.08,;10,-1.54,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;6,-.77,;7.34,-1.54,)|

BDBM593105

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)cc1 |r,wU:24.28,1.0,5.5,wD:21.21,(-9.34,4.62,;-9.34,3.08,;-8,2.31,;-8,.77,;-9.34,,;-10.67,.77,;-12,,;-10.67,2.31,;-6.67,,;-5.33,.77,;-4,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;1.33,,;2.67,.77,;1.33,-1.54,;2.67,-2.31,;4,-1.54,;5.33,-2.31,;5.33,-3.85,;6.67,-4.62,;8,-3.85,;8,-2.31,;6.67,-1.54,;9.34,-4.62,;10.67,-3.85,;12,-4.62,;10.67,-2.31,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,)|

BDBM593106

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)CC1 |r,wU:7.7,wD:4.3,(3.24,11.49,;3.24,9.95,;4.57,9.18,;1.9,9.18,;1.9,7.64,;.57,6.87,;.57,5.33,;1.9,4.56,;1.9,3.02,;.57,2.25,;.57,.71,;-.76,-.06,;-.76,-1.6,;-2.1,-2.37,;-2.1,-3.91,;-3.34,-4.82,;-2.87,-6.28,;-1.33,-6.28,;-.85,-4.82,;.61,-4.34,;-3.77,-7.53,;-5.02,-6.62,;-2.53,-8.43,;-4.68,-8.77,;-5.58,-10.02,;.57,-2.37,;1.9,-1.6,;1.9,-.06,;3.24,.71,;3.24,5.33,;3.24,6.87,)|

BDBM593107

CC(=O)NC1CCCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1

BDBM593108

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(C)c(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)cc1 |r,wU:24.28,1.0,5.5,wD:21.21,(-9.34,4.62,;-9.34,3.08,;-8,2.31,;-8,.77,;-9.34,,;-10.67,.77,;-12,,;-10.67,2.31,;-6.67,,;-5.33,.77,;-4,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;1.33,,;2.67,.77,;1.33,-1.54,;2.67,-2.31,;4,-1.54,;5.33,-2.31,;5.33,-3.85,;6.67,-4.62,;8,-3.85,;8,-2.31,;6.67,-1.54,;9.34,-4.62,;10.67,-3.85,;12,-4.62,;10.67,-2.31,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,)|

BDBM593109

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2C)CC1 |r,wU:7.7,wD:4.3,(3.23,11.49,;3.23,9.95,;4.57,9.18,;1.9,9.18,;1.9,7.64,;.57,6.87,;.57,5.33,;1.9,4.56,;1.9,3.02,;.57,2.25,;.57,.71,;-.77,-.06,;-.77,-1.6,;-2.1,-2.37,;-2.1,-3.91,;-3.35,-4.82,;-2.87,-6.28,;-1.33,-6.28,;-.86,-4.82,;.61,-4.34,;-3.78,-7.53,;-5.02,-6.62,;-2.53,-8.43,;-4.68,-8.78,;-5.59,-10.02,;.57,-2.37,;1.9,-1.6,;1.9,-.06,;3.23,.71,;3.23,5.33,;3.23,6.87,)|

BDBM593110

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2C2CC2)CC1 |r,wU:4.3,wD:7.7,(11.34,-3.85,;10,-3.08,;10,-1.54,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;3.54,1.54,;2.77,2.87,;6,-.77,;7.34,-1.54,)|

BDBM593111

CC(=O)N[C@H]1CC[C@@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)C1 |r|

BDBM593112

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nccc(OCC3(C)CCC(CC3)NC(C)=O)n2)cc1 |r,wU:1.0,5.5,(-9.34,4.62,;-9.34,3.08,;-8,2.31,;-8,.77,;-9.34,,;-10.67,.77,;-12,,;-10.67,2.31,;-6.67,,;-5.33,.77,;-4,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;1.33,,;1.33,-1.54,;2.67,-2.31,;4,-1.54,;5.33,-2.31,;5.33,-.77,;5.33,-3.85,;6.67,-4.62,;8,-3.85,;8,-2.31,;6.67,-1.54,;9.34,-4.62,;10.67,-3.85,;12,-4.62,;10.67,-2.31,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,)|

BDBM593113

CC(=O)NC1CCC(C)(COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |(11.34,-3.85,;10,-3.08,;10,-1.54,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;4.67,,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-.67,-1.54,;6,-.77,;7.34,-1.54,)|

BDBM593114

CC(=O)N[C@H]1C[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)C1 |r,wU:6.6,wD:4.3,(10.95,-3.62,;9.61,-2.85,;9.61,-1.31,;8.28,-3.62,;6.94,-2.85,;6.55,-1.37,;5.06,-1.77,;3.72,-1,;2.39,-1.77,;1.06,-1,;-.28,-1.77,;-1.61,-1,;-2.94,-1.77,;-4.28,-1,;-4.28,.54,;-5.61,1.31,;-6.94,.54,;-6.94,-1,;-5.61,-1.77,;-8.28,1.31,;-8.28,2.85,;-9.61,3.62,;-10.95,2.85,;-10.95,1.31,;-9.61,.54,;-1.61,.54,;-.28,1.31,;1.06,.54,;2.39,1.31,;5.46,-3.25,)|

BDBM593115

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCCC(CC3)NC(C)=O)n2)cc1 |r|

BDBM593116

CC(=O)N[C@H]1C[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)C1 |r,wU:6.6,wD:4.3,(10.95,-3.62,;9.61,-2.85,;9.61,-1.31,;8.28,-3.62,;6.94,-2.85,;6.55,-1.37,;5.06,-1.77,;3.72,-1,;2.39,-1.77,;1.06,-1,;1.06,.54,;-.28,1.31,;-1.61,.54,;-1.61,-1,;-2.94,-1.77,;-4.28,-1,;-4.28,.54,;-5.61,1.31,;-6.94,.54,;-6.94,-1,;-5.61,-1.77,;-8.28,1.31,;-8.28,2.85,;-9.61,3.62,;-10.95,2.85,;-10.95,1.31,;-9.61,.54,;-.28,-1.77,;5.46,-3.25,)|

BDBM593117

CC(=O)N1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)C(F)(F)C1

BDBM593118

CC(=O)N1CCC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2Cl)C(F)(F)C1

BDBM593119

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CC4(C3)CN(C4)C(C)=O)n2)cc1 |r|

BDBM593120

FC(F)(F)C(=O)N[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:7.6,wD:10.10,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;12,-3.85,;9.34,-2.31,;9.34,-.77,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-1.33,-.77,;5.33,,;6.67,-.77,)|

BDBM593121

Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OC[C@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wU:25.31,wD:22.24,(1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;8,-3.08,;9.34,-2.31,;9.34,-.77,;10.67,-3.08,;12,-2.31,;10.67,-4.62,;12,-3.85,)|

BDBM593122

Cc1nn(cc1Nc1ncc(Cl)c(OC[C@H]2CC[C@@H](CC2)NC(=O)C(F)F)n1)C(C)(C)C#N |r,wU:15.15,wD:18.22,(5.1,-4.51,;3.64,-4.98,;3.16,-6.45,;1.62,-6.45,;1.14,-4.98,;2.39,-4.08,;2.39,-2.54,;1.06,-1.77,;-.28,-2.54,;-1.61,-1.77,;-1.61,-.23,;-2.94,.54,;-.28,.54,;-.28,2.08,;-1.61,2.85,;-1.61,4.39,;-2.94,5.16,;-2.94,6.7,;-1.61,7.47,;-.28,6.7,;-.28,5.16,;-1.61,9.01,;-.28,9.78,;1.06,9.01,;-.28,11.32,;1.06,12.09,;-1.61,12.09,;1.06,-.23,;.71,-7.69,;-.53,-6.79,;1.96,-8.6,;-.19,-8.94,;-1.1,-10.19,)|

BDBM593123

FC(F)C(=O)N[C@H]1CC[C@H](COc2nc(Nc3cccc(c3)N3CCOCC3)ncc2Cl)CC1 |r,wU:6.5,wD:9.9,(12,-1.15,;10.67,-1.93,;10.67,-3.47,;9.34,-1.15,;9.34,.38,;8,-1.93,;6.67,-1.15,;5.33,-1.93,;4,-1.15,;4,.38,;2.67,1.15,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-6.67,3.47,;-8,2.69,;-8,1.15,;-6.67,.38,;-9.34,.38,;-10.67,1.15,;-12,.38,;-12,-1.15,;-10.67,-1.93,;-9.34,-1.15,;-2.67,2.69,;-1.33,3.47,;,2.69,;1.33,3.47,;5.33,1.15,;6.67,.38,)|

BDBM593124

FC(F)C(=O)N[C@H]1CC[C@@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)C1 |r|

BDBM593125

FC(F)CN[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:5.4,wD:8.8,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-1.33,-.77,;5.33,,;6.67,-.77,)|

BDBM593126

FC(F)(F)CN[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:6.5,wD:9.9,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;12,-3.85,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-1.33,-.77,;5.33,,;6.67,-.77,)|

BDBM593127

COc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OC[C@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wU:26.32,wD:23.25,(2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;8,-3.08,;9.34,-2.31,;10.67,-3.08,;12,-2.31,;10.67,-4.62,;12,-3.85,)|

BDBM593128

FC(F)CN[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1 |r,wU:5.4,wD:8.8,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-2.67,1.54,;-1.33,2.31,;,1.54,;1.33,2.31,;5.33,,;6.67,-.77,)|

BDBM593129

FC(F)CN[C@H]1CC[C@H](COc2nc(Nc3cccc(c3)N3CCOCC3)ncc2Cl)CC1 |r,wU:5.4,wD:8.8,(12,-1.15,;10.67,-1.93,;10.67,-3.47,;9.34,-1.15,;8,-1.93,;6.67,-1.15,;5.33,-1.93,;4,-1.15,;4,.38,;2.67,1.15,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-6.67,3.47,;-8,2.69,;-8,1.15,;-6.67,.38,;-9.34,.38,;-10.67,1.15,;-12,.38,;-12,-1.15,;-10.67,-1.93,;-9.34,-1.15,;-2.67,2.69,;-1.33,3.47,;,2.69,;1.33,3.47,;5.33,1.15,;6.67,.38,)|

BDBM593130

FC(F)(F)CN[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1 |r,wU:6.5,wD:9.9,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;12,-3.85,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-2.67,1.54,;-1.33,2.31,;,1.54,;1.33,2.31,;5.33,,;6.67,-.77,)|

BDBM593131

FC(F)C(=O)N1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1

BDBM593132

FC(F)C(=O)N1CCC(COc2nc(Nc3cccc(c3)N3CCOCC3)ncc2Cl)CC1

BDBM593133

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CCN(CC2)C(=O)C(F)F)n1)C(C)(C)C#N

BDBM593134

FC(F)(F)C(=O)N1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1

BDBM593135

FC(F)CN1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1

BDBM593136

FC(F)(F)CN1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1

BDBM593137

CC(N[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1)C(F)(F)F |r,wU:3.2,wD:6.6,(9.34,-.77,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-1.33,-.77,;5.33,,;6.67,-.77,;10.67,-3.08,;12,-2.31,;10.67,-4.62,;12,-3.85,)|

BDBM593138

CC(N[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1)C(F)(F)F |r,wU:3.2,wD:6.6,(9.34,-.77,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-2.67,1.54,;-1.33,2.31,;,1.54,;1.33,2.31,;5.33,,;6.67,-.77,;10.67,-3.08,;12,-2.31,;10.67,-4.62,;12,-3.85,)|

BDBM593139

OC1CCC(COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |(10,-3.85,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-3.33,.77,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-10,3.08,;-8.67,3.85,;-7.34,3.08,;.67,-1.54,;7.34,-.77,;8.67,-1.54,)|

BDBM593140

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nccc(OCC3CCC(O)CC3)n2)cc1 |r,wU:1.0,5.5,(-8,4.62,;-8,3.08,;-6.67,2.31,;-6.67,.77,;-8,,;-9.34,.77,;-10.67,,;-9.34,2.31,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;;1.33,.77,;2.67,,;2.67,-1.54,;4,-2.31,;5.33,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.34,-3.85,;10.67,-4.62,;9.34,-2.31,;8,-1.54,;1.33,-2.31,;-2.67,,;-4,.77,)|

BDBM593141

Cc1nn(cc1Nc1nccc(OCC2CCC(O)CC2)n1)C(C)(C)C#N |(1.22,-3.08,;-.24,-3.55,;-.72,-5.02,;-2.26,-5.02,;-2.74,-3.55,;-1.49,-2.65,;-1.49,-1.11,;-.16,-.34,;1.18,-1.11,;2.51,-.34,;2.51,1.2,;1.18,1.97,;1.18,3.51,;2.51,4.28,;2.51,5.82,;1.18,6.59,;1.18,8.13,;2.51,8.9,;2.51,10.44,;3.84,8.13,;3.84,6.59,;-.16,1.2,;-3.17,-6.26,;-4.41,-5.36,;-1.92,-7.17,;-4.07,-7.51,;-4.98,-8.75,)|

BDBM593142

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(Cl)c(OCC3CCC(O)CC3)n2)cc1 |r,wU:1.0,5.5,(-8,4.62,;-8,3.08,;-6.67,2.31,;-6.67,.77,;-8,,;-9.34,.77,;-10.67,,;-9.34,2.31,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;;1.33,.77,;2.67,,;4,.77,;2.67,-1.54,;4,-2.31,;5.33,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.34,-3.85,;10.67,-4.62,;9.34,-2.31,;8,-1.54,;1.33,-2.31,;-2.67,,;-4,.77,)|

BDBM593143

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CCC(O)CC2)n1)C(C)(C)C#N |(-.41,-.25,;-1.88,-.73,;-2.35,-2.19,;-3.89,-2.19,;-4.37,-.73,;-3.12,.18,;-3.12,1.72,;-1.79,2.49,;-1.79,4.03,;-.45,4.8,;.88,4.03,;2.21,4.8,;.88,2.49,;2.21,1.72,;3.55,2.49,;4.88,1.72,;4.88,.18,;6.21,-.59,;7.55,.18,;8.88,-.59,;7.55,1.72,;6.21,2.49,;-.45,1.72,;-4.8,-3.44,;-6.04,-2.53,;-3.55,-4.34,;-5.7,-4.68,;-6.61,-5.93,)|

BDBM593144

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CCC(O)CC2)n1)C1CC(C1)C#N |(-1.1,2.82,;-2.24,1.79,;-3.75,2.11,;-4.52,.78,;-3.49,-.37,;-2.08,.26,;-.75,-.51,;.59,.26,;.59,1.8,;1.92,2.57,;3.26,1.8,;4.59,2.57,;3.26,.26,;4.59,-.51,;5.92,.26,;7.26,-.51,;7.26,-2.05,;8.59,-2.82,;9.92,-2.05,;11.26,-2.82,;9.92,-.51,;8.59,.26,;1.92,-.51,;-6.05,.62,;-7.27,1.55,;-8.23,.32,;-6.98,-.61,;-9.75,.11,;-11.28,-.09,)|

BDBM593145

OC1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1 |(10,-3.85,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;.67,-1.54,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-3.33,.77,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-10,3.08,;-8.67,3.85,;-7.34,3.08,;-.67,.77,;.67,1.54,;2,.77,;3.33,1.54,;7.34,-.77,;8.67,-1.54,)|

BDBM593146

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cc1 |r,wU:1.0,5.5,(-8,4.62,;-8,3.08,;-6.67,2.31,;-6.67,.77,;-8,,;-9.34,.77,;-10.67,,;-9.34,2.31,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;;1.33,.77,;2.67,,;4,.77,;2.67,-1.54,;4,-2.31,;5.33,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.34,-3.85,;10.67,-4.62,;9.34,-2.31,;8,-1.54,;1.33,-2.31,;-2.67,,;-4,.77,)|

BDBM593147

Cc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@H](O)CC2)n1)C(C)(C)C#N |r,wU:15.15,wD:18.19,(-.41,-.25,;-1.87,-.73,;-2.35,-2.19,;-3.89,-2.19,;-4.37,-.73,;-3.12,.18,;-3.12,1.72,;-1.79,2.49,;-1.79,4.03,;-.45,4.8,;.88,4.03,;2.21,4.8,;.88,2.49,;2.21,1.72,;3.55,2.49,;4.88,1.72,;6.22,2.49,;7.55,1.72,;7.55,.18,;8.88,-.59,;6.22,-.59,;4.88,.18,;-.45,1.72,;-4.79,-3.44,;-6.04,-2.53,;-3.55,-4.34,;-5.7,-4.68,;-6.61,-5.93,)|

BDBM593148

Cc1nn(cc1Nc1ncc(F)c(OC[C@@H]2CC[C@H](O)CC2)n1)C(C)(C)C#N |r,wU:15.15,18.19,(-.41,-.25,;-1.87,-.73,;-2.35,-2.19,;-3.89,-2.19,;-4.37,-.73,;-3.12,.18,;-3.12,1.72,;-1.79,2.49,;-1.79,4.03,;-.45,4.8,;.88,4.03,;2.21,4.8,;.88,2.49,;2.21,1.72,;3.55,2.49,;4.88,1.72,;4.88,.18,;6.22,-.59,;7.55,.18,;8.88,-.59,;7.55,1.72,;6.22,2.49,;-.45,1.72,;-4.79,-3.44,;-6.04,-2.53,;-3.55,-4.34,;-5.7,-4.68,;-6.61,-5.93,)|

BDBM593149

Cc1nn(cc1Nc1ncc(F)c(OCC2CCC(O)C2)n1)C(C)(C)C#N

BDBM593150

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(C)c(OCC3CCC(O)CC3)n2)cc1 |r,wU:1.0,5.5,(-8,4.62,;-8,3.08,;-6.67,2.31,;-6.67,.77,;-8,,;-9.34,.77,;-10.67,,;-9.34,2.31,;-5.33,,;-4,.77,;-2.67,,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;;1.33,.77,;2.67,,;4,.77,;2.67,-1.54,;4,-2.31,;5.33,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.34,-3.85,;10.67,-4.62,;9.34,-2.31,;8,-1.54,;1.33,-2.31,;-4,-2.31,;-5.33,-1.54,)|

BDBM593151

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(C3CC3)c(OCC3CCC(O)CC3)n2)cc1 |r,wU:1.0,5.5,(-8,4.62,;-8,3.08,;-6.67,2.31,;-6.67,.77,;-8,,;-9.34,.77,;-10.67,,;-9.34,2.31,;-5.33,,;-4,.77,;-2.67,,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;;1.33,.77,;2.67,,;4,.77,;5.54,.77,;4.77,2.1,;2.67,-1.54,;4,-2.31,;5.33,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.34,-3.85,;10.67,-4.62,;9.34,-2.31,;8,-1.54,;1.33,-2.31,;-4,-2.31,;-5.33,-1.54,)|

BDBM593152

Cc1nn(cc1Nc1nccc(OCC2CCC(O)C2)n1)C(C)(C)C#N

BDBM593153

CCN1CCN(Cc2ccc(Nc3ncc(Cl)c(OCC4CCC(O)CC4)n3)nc2)CC1 |(-12,.39,;-10.67,-.38,;-9.34,.38,;-9.34,1.92,;-8,2.7,;-6.67,1.92,;-5.33,2.69,;-4,1.92,;-4,.38,;-2.67,-.38,;-1.33,.38,;,-.39,;1.33,.38,;1.33,1.92,;2.67,2.69,;4,1.92,;5.33,2.69,;4,.38,;5.33,-.39,;6.67,.38,;8,-.39,;8,-1.93,;9.34,-2.7,;10.67,-1.93,;12,-2.7,;10.67,-.39,;9.34,.39,;2.67,-.39,;-1.33,1.92,;-2.67,2.69,;-6.67,.38,;-8,-.39,)|

BDBM593154

CCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(OCC3CCC(O)CC3)n2)nc1 |(-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;11.34,-3.85,;10,-1.54,;8.67,-.77,;2,-1.54,;-2,.77,;-3.33,1.54,)|

BDBM593155

CCN1CCN(CC1)c1ccc(Nc2nccc(OCC3CCC(O)CC3)n2)nc1 |(-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-4.67,.77,;-3.33,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;11.34,-3.85,;10,-1.54,;8.67,-.77,;2,-1.54,;-3.33,-1.54,;-4.67,-.77,)|

BDBM593156

OC1CC2(C1)CC(COc1nc(Nc3ccc(cc3)N3CCOCC3)ncc1F)C2 |(10.56,-4.17,;9.22,-3.4,;7.73,-3.8,;7.34,-2.31,;8.82,-1.91,;5.85,-2.71,;5.45,-1.22,;4.12,-.45,;2.78,-1.22,;1.45,-.45,;.11,-1.22,;-1.22,-.45,;-2.55,-1.22,;-3.89,-.45,;-3.89,1.09,;-5.22,1.86,;-6.55,1.09,;-6.55,-.45,;-5.22,-1.22,;-7.89,1.86,;-7.89,3.4,;-9.22,4.17,;-10.56,3.4,;-10.56,1.86,;-9.22,1.09,;-1.22,1.09,;.11,1.86,;1.45,1.09,;2.78,1.86,;6.94,-.82,)|

BDBM593157

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CCC(C)(O)CC2)n1)C(C)(C)C#N |(1.38,-3.19,;-.09,-3.67,;-.56,-5.13,;-2.1,-5.13,;-2.58,-3.67,;-1.33,-2.76,;-1.33,-1.22,;-0,-.45,;1.33,-1.22,;2.67,-.45,;2.67,1.09,;4,1.86,;1.33,1.86,;1.33,3.4,;2.67,4.17,;2.67,5.71,;1.33,6.48,;1.33,8.02,;2.67,8.79,;1.94,10.15,;3.39,10.15,;4,8.02,;4,6.48,;-0,1.09,;-3.01,-6.38,;-4.26,-5.47,;-1.76,-7.28,;-3.91,-7.62,;-4.82,-8.87,)|

BDBM593158

CC(C)(O)[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:4.3,wD:7.7,(10.42,-4.39,;9.34,-3.31,;8.25,-4.39,;10.67,-2.54,;8,-2.54,;6.67,-3.31,;5.33,-2.54,;5.33,-1,;4,-.23,;2.67,-1,;1.33,-.23,;1.33,1.31,;,2.08,;-1.33,1.31,;-1.33,-.23,;-2.67,-1,;-4,-.23,;-4,1.31,;-5.33,2.08,;-6.67,1.31,;-6.67,-.23,;-5.33,-1,;-8,2.08,;-8,3.62,;-9.34,4.39,;-10.67,3.62,;-10.67,2.08,;-9.34,1.31,;,-1,;6.67,-.23,;8,-1,)|

BDBM593159

CC(C)(O)[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1 |r,wU:4.3,wD:7.7,(10.42,-4.39,;9.34,-3.31,;8.25,-4.39,;10.67,-2.54,;8,-2.54,;6.67,-3.31,;5.33,-2.54,;5.33,-1,;4,-.23,;2.67,-1,;1.33,-.23,;,-1,;-1.33,-.23,;-2.67,-1,;-4,-.23,;-4,1.31,;-5.33,2.08,;-6.67,1.31,;-6.67,-.23,;-5.33,-1,;-8,2.08,;-8,3.62,;-9.34,4.39,;-10.67,3.62,;-10.67,2.08,;-9.34,1.31,;-1.33,1.31,;,2.08,;1.33,1.31,;2.67,2.08,;6.67,-.23,;8,-1,)|

BDBM593160

Cc1nn(cc1Nc1ncc(Cl)c(OC[C@H]2CC[C@@H](CC2)C(C)(C)O)n1)C(C)(C)C#N |r,wU:15.15,wD:18.22,(1.35,-3.87,;-.12,-4.35,;-.59,-5.81,;-2.13,-5.81,;-2.61,-4.35,;-1.36,-3.44,;-1.36,-1.9,;-.03,-1.13,;1.3,-1.9,;2.64,-1.13,;2.64,.41,;3.97,1.18,;1.3,1.18,;1.3,2.72,;2.64,3.49,;2.64,5.03,;1.3,5.8,;1.3,7.34,;2.64,8.11,;3.97,7.34,;3.97,5.8,;2.64,9.65,;1.1,9.65,;4.18,9.65,;2.64,11.19,;-.03,.41,;-3.04,-7.06,;-4.29,-6.15,;-1.79,-7.97,;-3.95,-8.31,;-4.85,-9.55,)|

BDBM593161

OCC1CCC(COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |(10.67,-3.08,;9.34,-3.85,;8,-3.08,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.67,3.08,;-10.67,1.54,;-9.34,.77,;,-1.54,;6.67,-.77,;8,-1.54,)|

BDBM593162

OC12CCC(COc3ccnc(Nc4ccc(cc4)N4CCOCC4)n3)(CC1)CC2

BDBM593163

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nccc(OCC3CCC(CO)CC3)n2)cc1 |r,wU:1.0,5.5,(-8.67,4.62,;-8.67,3.08,;-7.34,2.31,;-7.34,.77,;-8.67,,;-10,.77,;-11.34,,;-10,2.31,;-6,,;-4.67,.77,;-3.33,,;-3.33,-1.54,;-2,-2.31,;-.67,-1.54,;-.67,,;.67,.77,;2,,;2,-1.54,;3.33,-2.31,;4.67,-1.54,;6,-2.31,;6,-3.85,;7.34,-4.62,;8.67,-3.85,;10,-4.62,;11.34,-3.85,;8.67,-2.31,;7.34,-1.54,;.67,-2.31,;-4.67,-2.31,;-6,-1.54,)|

BDBM593164

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nccc(OCC34CCC(O)(CC3)CC4)n2)cc1 |r|

BDBM593165

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC34CCC(O)(CC3)CC4)n2)cc1 |r|

BDBM593166

CC(C)(O)[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(8.25,-4.39,;9.34,-3.31,;10.42,-4.39,;10.67,-2.54,;8,-2.54,;6.67,-3.31,;5.33,-2.54,;5.33,-1,;4,-.23,;2.67,-1,;1.33,-.23,;,-1,;-1.33,-.23,;-2.67,-1,;-4,-.23,;-5.33,-1,;-6.67,-.23,;-6.67,1.31,;-5.33,2.08,;-4,1.31,;-8,2.08,;-9.34,1.31,;-10.67,2.08,;-10.67,3.62,;-9.34,4.39,;-8,3.62,;-1.33,1.31,;,2.08,;1.33,1.31,;2.67,2.08,;6.67,-.23,;8,-1,)|

BDBM593167

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CCC(CC2)NC2CC(F)(F)C2)n1)C(C)(C)C#N |w:14.15,18.22,(4.82,-2.66,;4.5,-4.17,;5.53,-5.31,;4.76,-6.64,;3.25,-6.32,;3.09,-4.79,;1.76,-4.02,;1.76,-2.48,;3.09,-1.71,;3.09,-.17,;1.76,.6,;1.76,2.14,;.42,-.17,;-.91,.6,;-.91,2.14,;-2.24,2.91,;-3.58,2.14,;-4.91,2.91,;-4.91,4.45,;-3.58,5.22,;-2.24,4.45,;-6.25,5.22,;-6.25,6.76,;-7.33,7.85,;-6.25,8.93,;-7.05,10.25,;-5.44,10.25,;-5.16,7.85,;.42,-1.71,;5.38,-8.05,;3.98,-8.68,;6.79,-7.43,;6.01,-9.46,;6.64,-10.87,)|

BDBM593169

Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCCCC1

BDBM593170

Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCOCC1

BDBM593171

CC1CC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2Cl)CC(C)O1

BDBM593172

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CCOC(C)(C)C2)n1)C1CC(C1)C#N |(-1.2,2.82,;-2.34,1.79,;-3.85,2.11,;-4.62,.78,;-3.59,-.37,;-2.18,.26,;-.85,-.51,;.49,.26,;.49,1.8,;1.82,2.57,;3.15,1.8,;4.49,2.57,;3.15,.26,;4.49,-.51,;5.82,.26,;7.15,-.51,;7.15,-2.05,;8.49,-2.82,;9.82,-2.05,;9.82,-.51,;11.36,-.51,;10.59,.82,;8.49,.26,;1.82,-.51,;-6.15,.62,;-7.38,1.55,;-8.33,.32,;-7.08,-.61,;-9.86,.11,;-11.38,-.09,)|

BDBM593173

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CC3(COC3)C2)n1)C1CC(C1)C#N |(-.98,2.95,;-2.13,1.92,;-3.63,2.24,;-4.4,.91,;-3.37,-.23,;-1.96,.39,;-.63,-.38,;.7,.39,;.7,1.93,;2.04,2.7,;3.37,1.93,;4.7,2.7,;3.37,.39,;4.7,-.38,;6.04,.39,;7.37,-.38,;7.77,-1.87,;9.26,-1.47,;9.66,-2.95,;11.14,-2.56,;10.74,-1.07,;8.86,.02,;2.04,-.38,;-5.93,.75,;-7.16,1.68,;-8.11,.45,;-6.87,-.48,;-9.64,.25,;-11.17,.04,)|

BDBM593174

COc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCCCC1

BDBM593175

FC1(F)CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2Cl)CC1

BDBM593176

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CC(F)(F)C2)n1)C(C)(C)C#N

BDBM593177

Cc1nn(cc1Nc1ncc(C#N)c(OCC2CC(F)(F)C2)n1)C(C)(C)C#N

BDBM593178

COc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCC(F)(F)CC1

BDBM593179

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CCC(CC2)C(F)(F)F)n1)C(C)(C)C#N |(1.45,-3.67,;-.01,-4.15,;-.49,-5.61,;-2.03,-5.61,;-2.5,-4.15,;-1.26,-3.24,;-1.26,-1.7,;.08,-.93,;1.41,-1.7,;2.74,-.93,;2.74,.61,;4.08,1.38,;1.41,1.38,;1.41,2.92,;2.74,3.69,;2.74,5.23,;1.41,6,;1.41,7.54,;2.74,8.31,;4.08,7.54,;4.08,6,;2.74,9.85,;2.74,11.39,;1.2,9.85,;4.28,9.85,;.08,.61,;-2.93,-6.86,;-4.18,-5.95,;-1.69,-7.76,;-3.84,-8.1,;-4.74,-9.35,)|

BDBM593180

Cc1nn(cc1Nc1ncc(Cl)c(OCC2COC2)n1)C(C)(C)C#N

BDBM593181

Cc1c(Nc2ncc(Cl)c(OCC3CC(F)(F)C3)n2)cnn1C1CC(C1)C#N |(-3.51,-1.69,;-3.19,-.18,;-1.78,.44,;-.47,-.33,;.87,.44,;.87,1.98,;2.2,2.75,;3.54,1.98,;4.87,2.75,;3.54,.44,;4.87,-.33,;6.2,.44,;7.54,-.33,;7.94,-1.82,;9.42,-1.42,;10.96,-1.42,;10.19,-2.75,;9.02,.07,;2.2,-.33,;-1.94,1.97,;-3.45,2.29,;-4.22,.96,;-5.75,.8,;-6.98,1.73,;-7.93,.5,;-6.69,-.43,;-9.46,.3,;-10.99,.09,)|

BDBM593182

Cc1nn(cc1Nc1ncc(Cl)c(OCC2CC(F)(F)C2)n1)C1CC(C1)C#N |(-.8,2.88,;-1.94,1.85,;-3.45,2.17,;-4.22,.83,;-3.19,-.31,;-1.78,.32,;-.47,-.45,;.87,.32,;.87,1.86,;2.2,2.63,;3.54,1.86,;4.87,2.63,;3.54,.32,;4.87,-.45,;6.2,.32,;7.54,-.45,;7.94,-1.94,;9.42,-1.54,;10.96,-1.54,;10.19,-2.88,;9.02,-.06,;2.2,-.45,;-5.75,.67,;-6.98,1.61,;-7.93,.38,;-6.69,-.55,;-9.46,.17,;-10.99,-.04,)|

BDBM593183

COC1CCC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2Cl)CC1 |(3.45,10.78,;2.11,10.01,;2.11,8.47,;.78,7.7,;.78,6.16,;2.11,5.39,;2.11,3.85,;.78,3.08,;.78,1.54,;-.55,.77,;-.55,-.77,;-1.89,-1.54,;-1.89,-3.08,;-3.13,-3.99,;-2.66,-5.45,;-1.12,-5.45,;-.64,-3.99,;.82,-3.51,;-3.56,-6.7,;-4.81,-5.79,;-2.32,-7.6,;-4.47,-7.95,;-5.37,-9.19,;.78,-1.54,;2.11,-.77,;2.11,.77,;3.45,1.54,;3.45,6.16,;3.45,7.7,)|

BDBM593184

COC1CCC(COc2ccnc(Nc3cn(nc3C)C(C)(C)C#N)n2)CC1 |(3.47,10.74,;2.13,9.97,;2.13,8.43,;.8,7.66,;.8,6.12,;2.13,5.35,;2.13,3.81,;.8,3.04,;.8,1.5,;2.13,.73,;2.13,-.81,;.8,-1.58,;-.53,-.81,;-1.87,-1.58,;-1.87,-3.12,;-3.11,-4.03,;-2.64,-5.49,;-1.1,-5.49,;-.62,-4.03,;.84,-3.55,;-3.54,-6.74,;-4.79,-5.83,;-2.3,-7.64,;-4.45,-7.98,;-5.35,-9.23,;-.53,.73,;3.47,6.12,;3.47,7.66,)|

BDBM593185

Fc1cnc(Nc2ccc(cc2)N2C3CCC2COC3)nc1OC[C@H]1CCNCC1(F)F |r|

BDBM593186

CC(C)n1cc(Nc2ncc(F)c(OCC3CCNCC3(F)F)n2)cn1

BDBM593187

Cc1nn(cc1Nc1ncc(F)c(OCC2CCNCC2(F)F)n1)C(C)(C)C#N

BDBM593188

FC1CNCCC1COc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F |w:7.7,1.0|

BDBM593190

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCNCC3F)n2)cc1 |r,w:20.21,26.28|

BDBM593192

Cc1nn(cc1Nc1ncc(F)c(OCC2CCNCC2F)n1)C(C)(C)C#N |w:14.15,20.22|

BDBM593194

CC(=O)N1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)C(F)C1 |w:7.6,29.32|

BDBM593196

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCN(CC3F)C(C)=O)n2)cc1 |r,w:20.21,26.28|

BDBM593198

CC(=O)N1CCC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)C(F)C1 |w:7.6,28.30|

BDBM593200

CC(=O)N[C@H]1CC[C@@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)C1 |r|

BDBM593201

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OC[C@@H]3CC[C@@H](C3)NC(C)=O)n2)cc1 |r|

BDBM593202

CC(=O)N[C@H]1CC[C@@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)C1 |r|

BDBM593203

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3C4CCC3COC4)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.34,-3.85,;10,-3.08,;10,-1.54,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-8.67,1.54,;-8.67,3.08,;-9.98,2.8,;-10.42,1.7,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;6,-.77,;7.34,-1.54,)|

BDBM593204

COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(F)c(OC[C@H]2CC[C@@H](CC2)NC(C)=O)n1 |r,wU:29.34,wD:26.27,(-2.67,3.47,;-2.67,1.93,;-4,1.15,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-8,3.47,;-9.34,1.16,;-10.67,1.93,;-12,1.16,;-12,-.38,;-10.67,-1.15,;-9.34,-.38,;-6.67,-.38,;-8,-1.15,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;-1.33,1.15,;,1.93,;1.33,1.15,;2.67,1.93,;1.33,-.38,;2.67,-1.15,;4,-.38,;5.33,-1.15,;5.33,-2.69,;6.67,-3.47,;8,-2.69,;8,-1.15,;6.67,-.38,;9.34,-3.47,;10.67,-2.69,;12,-3.47,;10.67,-1.15,;,-1.15,)|

BDBM593205

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(C)c3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(9.99,-2.69,;8.65,-1.93,;8.65,-.38,;7.32,-2.69,;5.99,-1.93,;4.65,-2.69,;3.32,-1.93,;3.32,-.38,;1.98,.38,;.65,-.38,;-.68,.38,;-2.02,-.38,;-3.35,.38,;-4.68,-.38,;-6.02,.38,;-6.18,1.92,;-7.68,2.24,;-8.45,.9,;-9.99,.74,;-7.42,-.24,;-3.35,1.93,;-2.02,2.69,;-.68,1.93,;.65,2.69,;4.65,.38,;5.99,-.38,)|

BDBM593206

CCn1cc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)cn1 |r,wU:17.20,wD:14.13,(-10.45,1.97,;-9.52,.74,;-7.99,.9,;-6.96,-.24,;-5.56,.38,;-4.22,-.38,;-2.89,.38,;-2.89,1.93,;-1.55,2.69,;-.22,1.93,;1.11,2.69,;-.22,.38,;1.11,-.38,;2.45,.38,;3.78,-.38,;3.78,-1.93,;5.11,-2.69,;6.45,-1.93,;6.45,-.38,;5.11,.38,;7.78,-2.69,;9.11,-1.93,;10.45,-2.69,;9.11,-.38,;-1.55,-.38,;-5.72,1.92,;-7.22,2.24,)|

BDBM593207

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)cn1 |r,wU:18.21,wD:15.14,(-10.45,1.97,;-9.52,.74,;-10.14,-.67,;-7.99,.9,;-6.96,-.24,;-5.56,.38,;-4.22,-.38,;-2.89,.38,;-2.89,1.93,;-1.55,2.69,;-.22,1.93,;1.11,2.69,;-.22,.38,;1.11,-.38,;2.45,.38,;3.78,-.38,;3.78,-1.93,;5.11,-2.69,;6.45,-1.93,;6.45,-.38,;5.11,.38,;7.78,-2.69,;9.11,-1.93,;10.45,-2.69,;9.11,-.38,;-1.55,-.38,;-5.72,1.92,;-7.22,2.24,)|

BDBM593208

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(c3)C(C)(C)C#N)ncc2F)CC1 |r,wU:4.3,wD:7.7,(10.95,-3.03,;9.62,-2.26,;9.62,-.72,;8.28,-3.03,;6.95,-2.26,;5.61,-3.03,;4.28,-2.26,;4.28,-.72,;2.95,.05,;1.61,-.72,;.28,.05,;-1.05,-.72,;-2.39,.05,;-3.72,-.72,;-5.06,.05,;-5.22,1.58,;-6.72,1.9,;-7.49,.57,;-6.46,-.58,;-9.02,.41,;-8.96,-1.16,;-10.36,-.36,;-9.95,1.64,;-10.95,3.03,;-2.39,1.59,;-1.05,2.36,;.28,1.59,;1.61,2.36,;5.61,.05,;6.95,-.72,)|

BDBM593209

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(c3)C(F)(F)F)ncc2F)CC1 |r,wU:4.3,wD:7.7,(10.8,-2.69,;9.47,-1.93,;9.47,-.38,;8.13,-2.69,;6.8,-1.93,;5.47,-2.69,;4.13,-1.93,;4.13,-.38,;2.8,.38,;1.47,-.38,;.13,.38,;-1.2,-.38,;-2.53,.38,;-3.87,-.38,;-5.19,.38,;-5.35,1.92,;-6.85,2.24,;-7.62,.9,;-6.59,-.24,;-9.16,.74,;-10.1,1.96,;-9.76,-.67,;-10.8,.54,;-2.53,1.93,;-1.2,2.69,;.13,1.93,;1.47,2.69,;5.47,.38,;6.8,-.38,)|

BDBM593210

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(CC(F)(F)F)c3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.21,-3.04,;9.88,-2.27,;9.88,-.73,;8.55,-3.04,;7.21,-2.27,;5.88,-3.04,;4.54,-2.27,;4.54,-.73,;3.21,.04,;1.88,-.73,;.54,.04,;-.79,-.73,;-2.12,.04,;-3.46,-.73,;-4.78,.04,;-4.94,1.57,;-6.44,1.89,;-7.21,.56,;-8.74,.4,;-9.69,1.62,;-11.21,1.41,;-9.1,3.04,;-10.63,2.83,;-6.18,-.59,;-2.12,1.58,;-.79,2.35,;.54,1.58,;1.88,2.35,;5.88,.04,;7.21,-.73,)|

BDBM593211

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(CCF)c3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.21,-2.69,;9.88,-1.93,;9.88,-.38,;8.55,-2.69,;7.21,-1.93,;5.88,-2.69,;4.54,-1.93,;4.54,-.38,;3.21,.38,;1.88,-.38,;.54,.38,;-.79,-.38,;-2.12,.38,;-3.46,-.38,;-4.78,.38,;-4.94,1.92,;-6.44,2.24,;-7.21,.9,;-8.74,.74,;-9.69,1.96,;-11.21,1.75,;-6.18,-.24,;-2.12,1.93,;-.79,2.69,;.54,1.93,;1.88,2.69,;5.88,.38,;7.21,-.38,)|

BDBM593212

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(CCO)c3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.21,-2.69,;9.88,-1.93,;9.88,-.38,;8.55,-2.69,;7.21,-1.93,;5.88,-2.69,;4.54,-1.93,;4.54,-.38,;3.21,.38,;1.88,-.38,;.54,.38,;-.79,-.38,;-2.12,.38,;-3.46,-.38,;-4.78,.38,;-4.94,1.92,;-6.44,2.24,;-7.21,.9,;-8.74,.74,;-9.69,1.96,;-11.21,1.75,;-6.18,-.24,;-2.12,1.93,;-.79,2.69,;.54,1.93,;1.88,2.69,;5.88,.38,;7.21,-.38,)|

BDBM593213

COCCn1cc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)cn1 |r,wU:19.22,wD:16.15,(-11.71,2.81,;-10.72,1.63,;-9.19,1.84,;-8.25,.62,;-6.72,.78,;-5.69,-.36,;-4.28,.27,;-2.96,-.5,;-1.63,.27,;-1.63,1.81,;-.3,2.58,;1.04,1.81,;2.37,2.58,;1.04,.27,;2.37,-.5,;3.71,.27,;5.04,-.5,;5.04,-2.04,;6.37,-2.81,;7.71,-2.04,;7.71,-.5,;6.37,.27,;9.04,-2.81,;10.37,-2.04,;11.71,-2.81,;10.37,-.5,;-.3,-.5,;-4.44,1.8,;-5.95,2.12,)|

BDBM593214

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(c3)C3COC3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.06,-2.69,;9.72,-1.93,;9.72,-.38,;8.39,-2.69,;7.06,-1.93,;5.72,-2.69,;4.39,-1.93,;4.39,-.38,;3.06,.38,;1.72,-.38,;.39,.38,;-.94,-.38,;-2.28,.38,;-3.61,-.38,;-4.93,.38,;-5.09,1.92,;-6.6,2.24,;-7.37,.9,;-6.34,-.24,;-8.9,.74,;-10.13,1.67,;-11.06,.45,;-9.83,-.48,;-2.28,1.93,;-.94,2.69,;.39,1.93,;1.72,2.69,;5.72,.38,;7.06,-.38,)|

BDBM593215

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(c3)C3CCOCC3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.51,-2.69,;10.17,-1.93,;10.17,-.38,;8.84,-2.69,;7.5,-1.93,;6.17,-2.69,;4.84,-1.93,;4.84,-.38,;3.5,.38,;2.17,-.38,;.84,.38,;-.5,-.38,;-1.83,.38,;-3.17,-.38,;-4.48,.38,;-4.65,1.92,;-6.15,2.24,;-6.92,.9,;-5.89,-.24,;-8.45,.74,;-9.4,1.96,;-10.92,1.75,;-11.51,.33,;-10.56,-.89,;-9.04,-.68,;-1.83,1.93,;-.5,2.69,;.84,1.93,;2.17,2.69,;6.17,.38,;7.5,-.38,)|

BDBM593216

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(C)nc3C)ncc2F)CC1 |r,wU:4.3,wD:7.7,(9.98,-2.82,;8.65,-2.05,;8.65,-.51,;7.31,-2.82,;5.98,-2.05,;4.64,-2.82,;3.31,-2.05,;3.31,-.51,;1.98,.26,;.64,-.51,;-.69,.26,;-2.02,-.51,;-3.36,.26,;-4.69,-.51,;-6.01,.26,;-7.42,-.37,;-8.45,.78,;-9.98,.62,;-7.68,2.11,;-6.17,1.79,;-5.03,2.82,;-3.36,1.8,;-2.02,2.57,;-.69,1.8,;.64,2.57,;4.64,.26,;5.98,-.51,)|

BDBM593217

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)c(C)n1 |r,wU:18.21,wD:15.14,(-10.45,1.83,;-9.51,.62,;-10.11,-.8,;-7.98,.78,;-6.95,-.37,;-5.54,.26,;-4.22,-.51,;-2.89,.26,;-2.89,1.8,;-1.55,2.57,;-.22,1.8,;1.11,2.57,;-.22,.26,;1.11,-.51,;2.45,.26,;3.78,-.51,;3.78,-2.05,;5.12,-2.82,;6.45,-2.05,;6.45,-.51,;5.12,.26,;7.78,-2.82,;9.12,-2.05,;10.45,-2.82,;9.12,-.51,;-1.55,-.51,;-5.7,1.79,;-4.56,2.82,;-7.21,2.11,)|

BDBM593218

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C3CC3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(10.69,-2.82,;9.36,-2.05,;9.36,-.51,;8.02,-2.82,;6.69,-2.05,;5.36,-2.82,;4.02,-2.05,;4.02,-.51,;2.69,.26,;1.36,-.51,;.02,.26,;-1.31,-.51,;-2.65,.26,;-3.98,-.51,;-5.3,.26,;-6.7,-.37,;-7.74,.78,;-6.97,2.11,;-5.46,1.79,;-4.31,2.82,;-9.27,.62,;-10.69,1.2,;-10.48,-.33,;-2.65,1.8,;-1.31,2.57,;.02,1.8,;1.36,2.57,;5.36,.26,;6.69,-.51,)|

BDBM593219

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(F)F)ncc2F)CC1 |r,wU:4.3,wD:7.7,(10.45,-2.82,;9.12,-2.05,;9.12,-.51,;7.78,-2.82,;6.45,-2.05,;5.12,-2.82,;3.78,-2.05,;3.78,-.51,;2.45,.26,;1.11,-.51,;-.22,.26,;-1.55,-.51,;-2.89,.26,;-4.22,-.51,;-5.54,.26,;-6.95,-.37,;-7.98,.78,;-7.21,2.11,;-5.7,1.79,;-4.56,2.82,;-9.51,.62,;-10.45,1.83,;-10.11,-.8,;-2.89,1.8,;-1.55,2.57,;-.22,1.8,;1.11,2.57,;5.12,.26,;6.45,-.51,)|

BDBM593220

CCc1nn(C)cc1Nc1ncc(F)c(OC[C@H]2CC[C@@H](CC2)NC(C)=O)n1 |r,wU:20.24,wD:17.17,(-5.35,3.57,;-5.03,2.07,;-6.17,1.04,;-7.68,1.36,;-8.45,.02,;-9.98,-.14,;-7.42,-1.12,;-6.01,-.49,;-4.69,-1.26,;-3.36,-.49,;-3.36,1.05,;-2.02,1.82,;-.69,1.05,;.64,1.82,;-.69,-.49,;.64,-1.26,;1.98,-.49,;3.31,-1.26,;3.31,-2.8,;4.64,-3.57,;5.98,-2.8,;5.98,-1.26,;4.64,-.49,;7.31,-3.57,;8.65,-2.8,;9.98,-3.57,;8.65,-1.26,;-2.02,-1.26,)|

BDBM593221

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(c3C)C(C)(C)C#N)ncc2F)CC1 |r,wU:4.3,wD:7.7,(10.75,-3.05,;9.42,-2.28,;9.42,-.74,;8.08,-3.05,;6.75,-2.28,;5.41,-3.05,;4.08,-2.28,;4.08,-.74,;2.75,.03,;1.41,-.74,;.08,.03,;-1.25,-.74,;-2.59,.03,;-3.92,-.74,;-5.24,.03,;-5.4,1.56,;-6.91,1.88,;-7.68,.55,;-6.65,-.6,;-6.97,-2.11,;-9.21,.38,;-9,-1.18,;-10.54,-.39,;-9.98,1.72,;-10.75,3.05,;-2.59,1.57,;-1.25,2.34,;.08,1.57,;1.41,2.34,;5.41,.03,;6.75,-.74,)|

BDBM593222

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(C(F)F)c3C)ncc2F)CC1 |r,wU:4.3,wD:7.7,(10.45,-2.69,;9.12,-1.93,;9.12,-.38,;7.78,-2.69,;6.45,-1.93,;5.12,-2.69,;3.78,-1.93,;3.78,-.38,;2.45,.38,;1.11,-.38,;-.22,.38,;-1.55,-.38,;-2.89,.38,;-4.22,-.38,;-5.54,.38,;-5.7,1.92,;-7.21,2.24,;-7.98,.9,;-9.51,.74,;-10.45,1.96,;-10.11,-.67,;-6.95,-.24,;-7.27,-1.75,;-2.89,1.93,;-1.55,2.69,;-.22,1.93,;1.11,2.69,;5.12,.38,;6.45,-.38,)|

BDBM593223

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(C)nc3Cl)ncc2F)CC1 |r,wU:4.3,wD:7.7,(9.98,-2.82,;8.65,-2.05,;8.65,-.51,;7.31,-2.82,;5.98,-2.05,;4.64,-2.82,;3.31,-2.05,;3.31,-.51,;1.98,.26,;.64,-.51,;-.69,.26,;-2.02,-.51,;-3.36,.26,;-4.69,-.51,;-6.01,.26,;-7.42,-.37,;-8.45,.78,;-9.98,.62,;-7.68,2.11,;-6.17,1.79,;-5.03,2.82,;-3.36,1.8,;-2.02,2.57,;-.69,1.8,;.64,2.57,;4.64,.26,;5.98,-.51,)|

BDBM593224

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)c(Cl)n1 |r,wU:18.21,wD:15.14,(-10.43,1.86,;-9.53,.62,;-10.15,-.79,;-7.99,.78,;-6.96,-.37,;-5.56,.26,;-4.24,-.51,;-2.91,.26,;-2.91,1.8,;-1.57,2.57,;-.24,1.8,;1.1,2.57,;-.24,.26,;1.1,-.51,;2.43,.26,;3.76,-.51,;3.76,-2.05,;5.1,-2.82,;6.43,-2.05,;6.43,-.51,;5.1,.26,;7.76,-2.82,;9.1,-2.05,;10.43,-2.82,;9.1,-.51,;-1.57,-.51,;-5.72,1.79,;-4.57,2.82,;-7.22,2.11,)|

BDBM593225

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(nc3Cl)C3CC3)ncc2F)CC1 |r,wU:4.3,wD:7.7,(10.69,-2.82,;9.36,-2.05,;9.36,-.51,;8.02,-2.82,;6.69,-2.05,;5.36,-2.82,;4.02,-2.05,;4.02,-.51,;2.69,.26,;1.36,-.51,;.02,.26,;-1.31,-.51,;-2.65,.26,;-3.98,-.51,;-5.3,.26,;-6.7,-.37,;-7.74,.78,;-6.97,2.11,;-5.46,1.79,;-4.31,2.82,;-9.27,.62,;-10.69,1.2,;-10.48,-.33,;-2.65,1.8,;-1.31,2.57,;.02,1.8,;1.36,2.57,;5.36,.26,;6.69,-.51,)|

BDBM593226

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(CCO)c3Cl)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.2,-2.7,;9.86,-1.93,;9.86,-.39,;8.53,-2.7,;7.2,-1.93,;5.86,-2.7,;4.53,-1.93,;4.53,-.39,;3.2,.38,;1.86,-.39,;.53,.38,;-.81,-.39,;-2.14,.38,;-3.47,-.39,;-4.79,.38,;-4.95,1.92,;-6.46,2.24,;-7.23,.9,;-8.76,.74,;-9.67,1.99,;-11.2,1.83,;-6.2,-.24,;-6.52,-1.75,;-2.14,1.92,;-.81,2.7,;.53,1.92,;1.86,2.69,;5.86,.38,;7.2,-.39,)|

BDBM593227

COCCn1ncc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(C)=O)n2)c1Cl |r,wU:20.23,wD:17.16,(-11.67,2.87,;-10.72,1.65,;-9.19,1.81,;-8.29,.57,;-6.76,.73,;-5.99,2.06,;-4.48,1.74,;-4.32,.21,;-3,-.56,;-1.67,.21,;-1.67,1.75,;-.33,2.52,;1,1.75,;2.34,2.52,;1,.21,;2.34,-.56,;3.67,.21,;5,-.56,;5,-2.1,;6.34,-2.87,;7.67,-2.1,;7.67,-.56,;6.34,.21,;9,-2.87,;10.34,-2.1,;11.67,-2.87,;10.34,-.56,;-.33,-.56,;-5.73,-.41,;-6.05,-1.92,)|

BDBM593228

CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cnn(C4CCOCC4)c3Cl)ncc2F)CC1 |r,wU:4.3,wD:7.7,(11.51,-2.7,;10.17,-1.93,;10.17,-.39,;8.84,-2.7,;7.5,-1.93,;6.17,-2.7,;4.84,-1.93,;4.84,-.39,;3.5,.38,;2.17,-.39,;.84,.38,;-.5,-.39,;-1.83,.38,;-3.17,-.39,;-4.48,.38,;-4.65,1.92,;-6.15,2.24,;-6.92,.9,;-8.45,.74,;-9.4,1.96,;-10.92,1.75,;-11.51,.33,;-10.56,-.89,;-9.04,-.68,;-5.89,-.24,;-6.21,-1.75,;-1.83,1.92,;-.5,2.7,;.84,1.92,;2.17,2.69,;6.17,.38,;7.5,-.39,)|

BDBM593229

COc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@@H](CC2)NC(C)=O)n1)C(C)C |r,wU:19.23,wD:16.16,(-4.88,3.57,;-4.56,2.07,;-5.7,1.04,;-7.21,1.36,;-7.98,.02,;-6.95,-1.12,;-5.54,-.49,;-4.22,-1.26,;-2.89,-.49,;-2.89,1.05,;-1.55,1.82,;-.22,1.05,;1.11,1.82,;-.22,-.49,;1.11,-1.26,;2.45,-.49,;3.78,-1.26,;3.78,-2.8,;5.12,-3.57,;6.45,-2.8,;6.45,-1.26,;5.12,-.49,;7.78,-3.57,;9.12,-2.8,;10.45,-3.57,;9.12,-1.26,;-1.55,-1.26,;-9.51,-.14,;-10.45,1.08,;-10.11,-1.55,)|

BDBM593230

COc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@@H](CC2)NC(C)=O)n1)C1CC1 |r,wU:19.23,wD:16.16,(-4.63,3.57,;-4.31,2.07,;-5.46,1.04,;-6.97,1.36,;-7.74,.02,;-6.7,-1.12,;-5.3,-.49,;-3.98,-1.26,;-2.65,-.49,;-2.65,1.05,;-1.31,1.82,;.02,1.05,;1.36,1.82,;.02,-.49,;1.36,-1.26,;2.69,-.49,;4.02,-1.26,;4.02,-2.8,;5.36,-3.57,;6.69,-2.8,;6.69,-1.26,;5.36,-.49,;8.02,-3.57,;9.36,-2.8,;10.69,-3.57,;9.36,-1.26,;-1.31,-1.26,;-9.27,-.14,;-10.69,.45,;-10.48,-1.08,)|

BDBM593231

Fc1cnc(Nc2ccc(cc2)N2C3CCC2COC3)nc1OC[C@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wU:27.34,wD:24.27,(1.33,2.31,;-.01,1.54,;-1.34,2.31,;-2.67,1.54,;-2.67,,;-4.01,-.77,;-5.33,,;-5.33,1.54,;-6.66,2.31,;-7.99,1.54,;-7.99,,;-6.66,-.77,;-9.33,2.31,;-9.33,3.85,;-10.87,3.85,;-11.41,2.73,;-10.66,1.54,;-12,2.31,;-12,3.85,;-10.66,4.62,;-1.34,-.77,;-.01,,;1.33,-.77,;2.66,,;3.99,-.77,;3.99,-2.31,;5.33,-3.08,;6.66,-2.31,;6.66,-.77,;5.33,,;7.99,-3.08,;9.33,-2.31,;9.33,-.77,;10.66,-3.08,;12,-2.31,;10.66,-4.62,;12,-3.85,)|

BDBM593232

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(=O)C(F)(F)F)n2)cn1 |r,wU:18.21,wD:15.14,(-11.12,2.73,;-10.17,1.51,;-10.78,.1,;-8.64,1.67,;-7.61,.53,;-6.21,1.15,;-4.89,.38,;-3.55,1.15,;-3.55,2.69,;-2.22,3.47,;-.89,2.69,;.45,3.46,;-.89,1.15,;.45,.38,;1.78,1.15,;3.11,.38,;3.11,-1.16,;4.45,-1.93,;5.78,-1.16,;5.78,.38,;4.45,1.15,;7.12,-1.93,;8.45,-1.16,;8.45,.38,;9.78,-1.93,;11.12,-1.16,;9.78,-3.47,;11.12,-2.7,;-2.22,.38,;-6.37,2.69,;-7.87,3.01,)|

BDBM593233

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)NC(=O)C(F)(F)F)n2)c(C)n1 |r,wU:18.21,wD:15.14,(-11.12,2.6,;-10.17,1.39,;-10.78,-.03,;-8.64,1.55,;-7.61,.4,;-6.21,1.03,;-4.89,.26,;-3.55,1.03,;-3.55,2.57,;-2.22,3.34,;-.89,2.57,;.45,3.34,;-.89,1.03,;.45,.26,;1.78,1.03,;3.11,.26,;3.11,-1.28,;4.45,-2.05,;5.78,-1.28,;5.78,.26,;4.45,1.03,;7.12,-2.05,;8.45,-1.28,;8.45,.26,;9.78,-2.05,;11.12,-1.28,;9.78,-3.59,;11.12,-2.82,;-2.22,.26,;-6.37,2.56,;-5.22,3.59,;-7.87,2.88,)|

BDBM593234

Cc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@@H](CC2)NC(=O)C(F)(F)F)n1)C(C)(C)C#N |r,wU:18.22,wD:15.15,(-4.75,3.47,;-5.9,2.44,;-7.41,2.76,;-8.18,1.42,;-7.14,.28,;-5.74,.91,;-4.42,.14,;-3.09,.91,;-3.09,2.45,;-1.75,3.22,;-.42,2.45,;.92,3.22,;-.42,.91,;.92,.14,;2.25,.91,;3.58,.14,;3.58,-1.4,;4.92,-2.17,;6.25,-1.4,;6.25,.14,;4.92,.91,;7.58,-2.17,;8.92,-1.4,;8.92,.14,;10.25,-2.17,;11.58,-1.4,;10.25,-3.71,;11.58,-2.94,;-1.75,.14,;-9.71,1.26,;-11.04,.49,;-9.56,-.18,;-10.65,2.48,;-11.58,3.71,)|

BDBM593235

COc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@@H](CC2)NC(=O)C(F)(F)F)n1)C(C)C |r,wU:19.23,wD:16.16,(-5.54,4.34,;-5.22,2.84,;-6.37,1.81,;-7.87,2.13,;-8.64,.79,;-7.61,-.35,;-6.21,.28,;-4.89,-.49,;-3.55,.28,;-3.55,1.82,;-2.22,2.59,;-.89,1.82,;.45,2.59,;-.89,.28,;.45,-.49,;1.78,.28,;3.11,-.49,;3.11,-2.03,;4.45,-2.8,;5.78,-2.03,;5.78,-.49,;4.45,.28,;7.12,-2.8,;8.45,-2.03,;8.45,-.49,;9.78,-2.8,;11.12,-2.03,;9.78,-4.34,;11.12,-3.57,;-2.22,-.49,;-10.17,.63,;-11.12,1.85,;-10.94,-.7,)|

BDBM593236

COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(F)c(OCC2CCC(O)CC2)n1 |(-1.33,3.47,;-1.33,1.93,;-2.66,1.15,;-3.99,1.93,;-5.33,1.15,;-6.66,1.93,;-6.66,3.47,;-7.99,1.15,;-9.33,1.93,;-10.66,1.15,;-10.66,-.38,;-9.33,-1.15,;-7.99,-.38,;-5.33,-.38,;-6.66,-1.15,;-3.99,-1.15,;-2.66,-.38,;-1.34,-1.15,;-.01,-.38,;-.01,1.15,;1.33,1.93,;2.66,1.15,;3.99,1.93,;2.66,-.38,;3.99,-1.15,;5.33,-.38,;6.66,-1.15,;6.66,-2.69,;7.99,-3.47,;9.33,-2.69,;10.66,-3.47,;9.33,-1.15,;7.99,-.38,;1.33,-1.15,)|

BDBM593237

OC1CCC(COc2nc(Nc3ccc(cc3)N3CC4(C3)CCOC4)ncc2F)CC1 |(10.82,-4.17,;9.49,-3.4,;8.16,-4.17,;6.82,-3.4,;6.82,-1.86,;5.49,-1.09,;4.15,-1.86,;2.82,-1.09,;1.49,-1.86,;.15,-1.09,;-1.18,-1.86,;-2.5,-1.09,;-2.5,.45,;-3.83,1.22,;-5.17,.45,;-5.17,-1.09,;-3.83,-1.86,;-6.5,1.22,;-6.9,2.71,;-8.39,2.31,;-7.99,.83,;-8.55,3.85,;-10.05,4.17,;-10.82,2.83,;-9.79,1.69,;.15,.45,;1.49,1.22,;2.82,.45,;4.15,1.22,;8.16,-1.09,;9.49,-1.86,)|

BDBM593238

Cn1cc(Nc2ncc(F)c(OC[C@H]3CC[C@H](O)CC3)n2)cn1 |r,wU:13.12,wD:16.16,(-8.65,.74,;-7.11,.9,;-6.08,-.24,;-4.68,.38,;-3.36,-.38,;-2.02,.38,;-2.02,1.93,;-.69,2.69,;.64,1.93,;1.98,2.69,;.64,.38,;1.98,-.38,;3.31,.38,;4.64,-.38,;5.98,.38,;7.31,-.38,;7.31,-1.93,;8.65,-2.69,;5.98,-2.69,;4.64,-1.93,;-.69,-.38,;-4.84,1.92,;-6.34,2.24,)|

BDBM593239

CCn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1 |(-9.11,1.99,;-8.2,.74,;-6.67,.9,;-5.64,-.24,;-4.23,.38,;-2.9,-.38,;-1.56,.38,;-1.56,1.93,;-.23,2.69,;1.1,1.93,;2.44,2.69,;1.1,.38,;2.44,-.38,;3.77,.38,;5.1,-.38,;5.1,-1.93,;6.44,-2.69,;7.77,-1.93,;9.11,-2.69,;7.77,-.38,;6.44,.38,;-.23,-.38,;-4.39,1.92,;-5.9,2.24,)|

BDBM593240

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@H](O)CC3)n2)cn1 |r,wU:15.14,wD:18.18,(-9.11,1.99,;-8.2,.74,;-8.83,-.66,;-6.67,.9,;-5.64,-.24,;-4.23,.38,;-2.9,-.38,;-1.56,.38,;-1.56,1.93,;-.23,2.69,;1.1,1.93,;2.44,2.69,;1.1,.38,;2.44,-.38,;3.77,.38,;5.1,-.38,;6.44,.38,;7.77,-.38,;7.77,-1.93,;9.11,-2.69,;6.44,-2.69,;5.1,-1.93,;-.23,-.38,;-4.39,1.92,;-5.9,2.24,)|

BDBM593241

CC(C)n1cc(Nc2ncc(F)c(OC[C@@H]3CC[C@H](O)CC3)n2)cn1 |r,wD:15.14,18.18,(-9.11,1.99,;-8.2,.74,;-8.83,-.66,;-6.67,.9,;-5.64,-.24,;-4.23,.38,;-2.9,-.38,;-1.56,.38,;-1.56,1.93,;-.23,2.69,;1.1,1.93,;2.44,2.69,;1.1,.38,;2.44,-.38,;3.77,.38,;5.1,-.38,;6.44,.38,;7.77,-.38,;7.77,-1.93,;9.11,-2.69,;6.44,-2.69,;5.1,-1.93,;-.23,-.38,;-4.39,1.92,;-5.9,2.24,)|

BDBM593242

O[C@H]1CC[C@H](COc2nc(Nc3cnn(c3)C3CC3)ncc2F)CC1 |r,wU:4.4,wD:1.0,(9.37,-2.69,;8.03,-1.93,;8.03,-.38,;6.7,.38,;5.36,-.38,;4.03,.38,;2.7,-.38,;1.36,.38,;.03,-.38,;-1.3,.38,;-2.64,-.38,;-3.97,.38,;-4.13,1.92,;-5.64,2.24,;-6.41,.9,;-5.38,-.24,;-7.94,.74,;-9.37,1.33,;-9.16,-.2,;-1.3,1.93,;.03,2.69,;1.36,1.93,;2.7,2.69,;5.36,-1.93,;6.7,-2.69,)|

BDBM593243

CC(C)(C#N)n1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1 |(-8.98,-.45,;-7.75,.47,;-7.56,-1.05,;-8.65,1.72,;-9.56,2.96,;-6.22,.64,;-5.19,-.51,;-3.78,.12,;-2.45,-.65,;-1.11,.12,;-1.11,1.66,;.22,2.43,;1.56,1.66,;2.89,2.43,;1.56,.12,;2.89,-.65,;4.22,.12,;5.56,-.65,;5.56,-2.19,;6.89,-2.96,;8.22,-2.19,;9.56,-2.96,;8.22,-.65,;6.89,.12,;.22,-.65,;-3.94,1.65,;-5.45,1.97,)|

BDBM593244

O[C@H]1CC[C@H](COc2nc(Nc3cnn(c3)C(F)(F)F)ncc2F)CC1 |r,wU:4.4,wD:1.0,(9.42,-2.69,;8.08,-1.93,;8.08,-.38,;6.75,.38,;5.42,-.38,;4.08,.38,;2.75,-.38,;1.42,.38,;.08,-.38,;-1.25,.38,;-2.58,-.38,;-3.92,.38,;-4.08,1.92,;-5.59,2.24,;-6.36,.9,;-5.33,-.24,;-7.89,.74,;-8.79,1.99,;-8.51,-.66,;-9.42,.58,;-1.25,1.93,;.08,2.69,;1.42,1.93,;2.75,2.69,;5.42,-1.93,;6.75,-2.69,)|

BDBM593245

O[C@H]1CC[C@H](COc2nc(Nc3cnn(CC(F)(F)F)c3)ncc2F)CC1 |r,wU:4.4,wD:1.0,(9.87,-3.04,;8.54,-2.27,;8.54,-.73,;7.2,.04,;5.87,-.73,;4.54,.04,;3.2,-.73,;1.87,.04,;.54,-.73,;-.8,.04,;-2.13,-.73,;-3.47,.04,;-3.63,1.57,;-5.13,1.89,;-5.9,.55,;-7.43,.39,;-8.34,1.64,;-9.87,1.48,;-7.71,3.04,;-9.24,2.88,;-4.87,-.59,;-.8,1.58,;.54,2.35,;1.87,1.58,;3.2,2.35,;5.87,-2.27,;7.2,-3.04,)|

BDBM593246

O[C@H]1CC[C@H](COc2nc(Nc3cnn(CCF)c3)ncc2F)CC1 |r,wU:4.4,wD:1.0,(9.89,-2.69,;8.55,-1.93,;8.55,-.38,;7.22,.38,;5.89,-.38,;4.55,.38,;3.22,-.38,;1.88,.38,;.55,-.38,;-.78,.38,;-2.12,-.38,;-3.45,.38,;-3.61,1.92,;-5.12,2.24,;-5.89,.9,;-7.42,.74,;-8.36,1.96,;-9.89,1.75,;-4.86,-.24,;-.78,1.93,;.55,2.69,;1.88,1.93,;3.22,2.69,;5.89,-1.93,;7.22,-2.69,)|

BDBM593247

OCCn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1 |(-9.89,1.75,;-8.36,1.96,;-7.42,.74,;-5.89,.9,;-4.86,-.24,;-3.45,.38,;-2.12,-.38,;-.78,.38,;-.78,1.93,;.55,2.69,;1.88,1.93,;3.22,2.69,;1.88,.38,;3.22,-.38,;4.55,.38,;5.89,-.38,;5.89,-1.93,;7.22,-2.69,;8.55,-1.93,;9.89,-2.69,;8.55,-.38,;7.22,.38,;.55,-.38,;-3.61,1.92,;-5.12,2.24,)|

BDBM593248

COCCn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1 |(-10.38,2.82,;-9.4,1.63,;-7.87,1.84,;-6.93,.62,;-5.4,.78,;-4.37,-.36,;-2.96,.26,;-1.62,-.51,;-.29,.26,;-.29,1.8,;1.04,2.57,;2.38,1.8,;3.71,2.57,;2.38,.26,;3.71,-.51,;5.04,.26,;6.38,-.51,;6.38,-2.05,;7.71,-2.82,;9.04,-2.05,;10.38,-2.82,;9.04,-.51,;7.71,.26,;1.04,-.51,;-3.12,1.79,;-4.63,2.11,)|

BDBM593249

OC1CCC(COc2nc(Nc3cnn(c3)C3COC3)ncc2F)CC1 |(9.73,-2.69,;8.4,-1.93,;7.06,-2.69,;5.73,-1.93,;5.73,-.38,;4.4,.38,;3.06,-.38,;1.73,.38,;.4,-.38,;-.94,.38,;-2.27,-.38,;-3.6,.38,;-3.77,1.92,;-5.27,2.24,;-6.04,.9,;-5.01,-.24,;-7.57,.74,;-8.8,1.67,;-9.73,.45,;-8.51,-.48,;-.94,1.93,;.4,2.69,;1.73,1.93,;3.06,2.69,;7.06,.38,;8.4,-.38,)|

BDBM593250

O[C@H]1CC[C@H](COc2nc(Nc3cnn(c3)C3CCOCC3)ncc2F)CC1 |r,wU:4.4,wD:1.0,(10.18,-2.69,;8.85,-1.93,;8.85,-.38,;7.51,.38,;6.18,-.38,;4.84,.38,;3.51,-.38,;2.18,.38,;.84,-.38,;-.49,.38,;-1.82,-.38,;-3.16,.38,;-3.32,1.92,;-4.83,2.24,;-5.6,.9,;-4.56,-.24,;-7.13,.74,;-8.07,1.96,;-9.59,1.75,;-10.18,.33,;-9.24,-.89,;-7.71,-.68,;-.49,1.93,;.84,2.69,;2.18,1.93,;3.51,2.69,;6.18,-1.93,;7.51,-2.69,)|

BDBM593251

Cc1nn(C)cc1Nc1ncc(F)c(OC[C@H]2CC[C@H](O)CC2)n1 |r,wU:16.16,wD:19.20,(-3.7,2.82,;-4.84,1.79,;-6.35,2.11,;-7.12,.78,;-8.65,.62,;-6.09,-.37,;-4.68,.26,;-3.35,-.51,;-2.02,.26,;-2.02,1.8,;-.68,2.57,;.65,1.8,;1.98,2.57,;.65,.26,;1.98,-.51,;3.32,.26,;4.65,-.51,;5.99,.26,;7.32,-.51,;7.32,-2.05,;8.65,-2.82,;5.99,-2.82,;4.65,-2.05,;-.68,-.51,)|

BDBM593252

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@H](O)CC3)n2)c(C)n1 |r,wU:15.14,wD:18.18,(-9.12,1.83,;-8.18,.62,;-8.79,-.8,;-6.65,.78,;-5.62,-.37,;-4.21,.26,;-2.88,-.51,;-1.55,.26,;-1.55,1.8,;-.21,2.57,;1.12,1.8,;2.46,2.57,;1.12,.26,;2.46,-.51,;3.79,.26,;5.12,-.51,;6.46,.26,;7.79,-.51,;7.79,-2.05,;9.12,-2.82,;6.46,-2.82,;5.12,-2.05,;-.21,-.51,;-4.37,1.79,;-3.23,2.82,;-5.88,2.11,)|

BDBM593253

Cc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@H](O)CC2)n1)C1CC1 |r,wU:15.15,wD:18.19,(-2.99,2.82,;-4.13,1.79,;-5.64,2.11,;-6.41,.78,;-5.38,-.37,;-3.97,.26,;-2.64,-.51,;-1.3,.26,;-1.3,1.8,;.03,2.57,;1.36,1.8,;2.7,2.57,;1.36,.26,;2.7,-.51,;4.03,.26,;5.36,-.51,;6.7,.26,;8.03,-.51,;8.03,-2.05,;9.37,-2.82,;6.7,-2.82,;5.36,-2.05,;.03,-.51,;-7.94,.62,;-9.37,1.2,;-9.16,-.33,)|

BDBM593254

Cc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@H](O)CC2)n1)C(F)F |r,wU:15.15,wD:18.19,(-3.25,2.82,;-4.39,1.79,;-5.9,2.11,;-6.67,.78,;-5.64,-.37,;-4.23,.26,;-2.9,-.51,;-1.56,.26,;-1.56,1.8,;-.23,2.57,;1.1,1.8,;2.44,2.57,;1.1,.26,;2.44,-.51,;3.77,.26,;5.1,-.51,;6.44,.26,;7.77,-.51,;7.77,-2.05,;9.11,-2.82,;6.44,-2.82,;5.1,-2.05,;-.23,-.51,;-8.2,.62,;-9.11,1.86,;-8.83,-.79,)|

BDBM593255

CCc1nn(C)cc1Nc1ncc(F)c(OC[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-3.84,3.59,;-3.7,2.05,;-4.84,1.02,;-6.35,1.34,;-7.12,.01,;-8.65,-.15,;-6.09,-1.13,;-4.68,-.51,;-3.35,-1.28,;-2.02,-.51,;-2.02,1.03,;-.68,1.8,;.65,1.03,;1.98,1.8,;.65,-.51,;1.98,-1.28,;3.32,-.51,;4.65,-1.28,;5.99,-.51,;7.32,-1.28,;7.32,-2.82,;8.65,-3.59,;5.99,-3.59,;4.65,-2.82,;-.68,-1.28,)|

BDBM593256

Cc1c(Nc2ncc(F)c(OC[C@H]3CC[C@H](O)CC3)n2)cnn1C(C)(C)C#N |r,wU:12.11,wD:15.15,(-5.64,-2.11,;-5.32,-.6,;-3.91,.03,;-2.58,-.74,;-1.25,.03,;-1.25,1.57,;.09,2.34,;1.42,1.57,;2.75,2.34,;1.42,.03,;2.75,-.74,;4.09,.03,;5.42,-.74,;6.76,.03,;8.09,-.74,;8.09,-2.28,;9.42,-3.05,;6.76,-3.05,;5.42,-2.28,;.09,-.74,;-4.07,1.56,;-5.58,1.88,;-6.35,.55,;-7.88,.38,;-7.48,-1.1,;-8.97,-.7,;-8.65,1.72,;-9.42,3.05,)|

BDBM593257

Cc1c(Nc2ncc(F)c(OC[C@H]3CC[C@H](O)CC3)n2)cnn1C(F)F |r,wU:12.11,wD:15.15,(-5.94,-1.75,;-5.62,-.24,;-4.21,.38,;-2.88,-.39,;-1.55,.38,;-1.55,1.92,;-.21,2.69,;1.12,1.92,;2.46,2.7,;1.12,.38,;2.46,-.39,;3.79,.38,;5.12,-.39,;6.46,.38,;7.79,-.39,;7.79,-1.93,;9.12,-2.7,;6.46,-2.7,;5.12,-1.93,;-.21,-.39,;-4.37,1.92,;-5.88,2.24,;-6.65,.9,;-8.18,.74,;-9.12,1.96,;-8.79,-.67,)|

BDBM593258

OC1CCC(COc2nc(Nc3cnn(C4CCOCC4)c3C3CC3)ncc2F)CC1 |(10.18,-2.44,;8.85,-1.67,;7.51,-2.44,;6.18,-1.67,;6.18,-.13,;4.84,.64,;3.51,-.13,;2.18,.64,;.84,-.13,;-.49,.64,;-1.82,-.13,;-3.16,.64,;-3.32,2.18,;-4.83,2.5,;-5.6,1.16,;-7.13,1,;-8.07,2.22,;-9.59,2.01,;-10.18,.59,;-9.24,-.63,;-7.71,-.42,;-4.56,.02,;-4.88,-1.49,;-5.92,-2.63,;-4.41,-2.95,;-.49,2.18,;.84,2.95,;2.18,2.18,;3.51,2.95,;7.51,.64,;8.85,-.13,)|

BDBM593259

Cn1cc(Nc2ncc(F)c(OC[C@H]3CC[C@H](O)CC3)n2)c(Cl)n1 |r,wU:13.12,wD:16.16,(-8.65,.62,;-7.12,.78,;-6.09,-.37,;-4.68,.26,;-3.35,-.51,;-2.02,.26,;-2.02,1.8,;-.68,2.57,;.65,1.8,;1.98,2.57,;.65,.26,;1.98,-.51,;3.32,.26,;4.65,-.51,;5.99,.26,;7.32,-.51,;7.32,-2.05,;8.65,-2.82,;5.99,-2.82,;4.65,-2.05,;-.68,-.51,;-4.84,1.79,;-3.7,2.82,;-6.35,2.11,)|

BDBM593260

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@H](O)CC3)n2)c(Cl)n1 |r,wU:15.14,wD:18.18,(-9.12,1.83,;-8.18,.62,;-8.79,-.8,;-6.65,.78,;-5.62,-.37,;-4.21,.26,;-2.88,-.51,;-1.55,.26,;-1.55,1.8,;-.21,2.57,;1.12,1.8,;2.46,2.57,;1.12,.26,;2.46,-.51,;3.79,.26,;5.12,-.51,;6.46,.26,;7.79,-.51,;7.79,-2.05,;9.12,-2.82,;6.46,-2.82,;5.12,-2.05,;-.21,-.51,;-4.37,1.79,;-3.23,2.82,;-5.88,2.11,)|

BDBM593261

O[C@H]1CC[C@H](COc2nc(Nc3cn(nc3Cl)C3CC3)ncc2F)CC1 |r,wU:1.0,wD:4.4,(9.37,-2.82,;8.03,-2.05,;6.7,-2.82,;5.36,-2.05,;5.36,-.51,;4.03,.26,;2.7,-.51,;1.36,.26,;.03,-.51,;-1.3,.26,;-2.64,-.51,;-3.97,.26,;-5.38,-.37,;-6.41,.78,;-5.64,2.11,;-4.13,1.79,;-2.99,2.82,;-7.94,.62,;-9.37,1.2,;-9.16,-.33,;-1.3,1.8,;.03,2.57,;1.36,1.8,;2.7,2.57,;6.7,.26,;8.03,-.51,)|

BDBM593262

OCCn1ncc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)c1Cl |(-9.89,1.75,;-8.36,1.96,;-7.42,.74,;-5.89,.9,;-5.12,2.24,;-3.61,1.92,;-3.45,.38,;-2.12,-.39,;-.78,.38,;-.78,1.92,;.55,2.69,;1.88,1.92,;3.22,2.7,;1.88,.38,;3.22,-.39,;4.55,.38,;5.89,-.39,;5.89,-1.93,;7.22,-2.7,;8.55,-1.93,;9.89,-2.7,;8.55,-.39,;7.22,.38,;.55,-.39,;-4.86,-.24,;-5.18,-1.75,)|

BDBM593263

COCCn1ncc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)c1Cl |(-10.36,2.83,;-9.42,1.62,;-7.89,1.82,;-6.95,.6,;-5.42,.76,;-4.65,2.1,;-3.14,1.78,;-2.98,.25,;-1.65,-.52,;-.31,.25,;-.31,1.79,;1.02,2.56,;2.36,1.79,;3.69,2.56,;2.36,.25,;3.69,-.52,;5.02,.25,;6.36,-.52,;6.36,-2.06,;7.69,-2.83,;9.02,-2.06,;10.36,-2.83,;9.02,-.52,;7.69,.25,;1.02,-.52,;-4.39,-.38,;-4.71,-1.89,)|

BDBM593264

O[C@H]1CC[C@H](COc2nc(Nc3cnn(C4CCOCC4)c3Cl)ncc2F)CC1 |r,wU:4.4,wD:1.0,(10.18,-2.7,;8.85,-1.93,;8.85,-.39,;7.51,.38,;6.18,-.39,;4.84,.38,;3.51,-.39,;2.18,.38,;.84,-.39,;-.49,.38,;-1.82,-.39,;-3.16,.38,;-3.32,1.92,;-4.83,2.24,;-5.6,.9,;-7.13,.74,;-8.07,1.96,;-9.59,1.75,;-10.18,.33,;-9.24,-.89,;-7.71,-.68,;-4.56,-.24,;-4.88,-1.75,;-.49,1.92,;.84,2.69,;2.18,1.92,;3.51,2.7,;6.18,-1.93,;7.51,-2.7,)|

BDBM593265

COc1nn(C)cc1Nc1ncc(F)c(OC[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-3.84,3.59,;-3.7,2.05,;-4.84,1.02,;-6.35,1.34,;-7.12,.01,;-8.65,-.15,;-6.09,-1.13,;-4.68,-.51,;-3.35,-1.28,;-2.02,-.51,;-2.02,1.03,;-.68,1.8,;.65,1.03,;1.98,1.8,;.65,-.51,;1.98,-1.28,;3.32,-.51,;4.65,-1.28,;5.99,-.51,;7.32,-1.28,;7.32,-2.82,;8.65,-3.59,;5.99,-3.59,;4.65,-2.82,;-.68,-1.28,)|

BDBM593266

COc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@H](O)CC2)n1)C(C)C |r,wU:16.16,wD:19.20,(-3.37,3.59,;-3.23,2.05,;-4.37,1.02,;-5.88,1.34,;-6.65,.01,;-5.62,-1.13,;-4.21,-.51,;-2.88,-1.28,;-1.55,-.51,;-1.55,1.03,;-.21,1.8,;1.12,1.03,;2.46,1.8,;1.12,-.51,;2.46,-1.28,;3.79,-.51,;5.12,-1.28,;6.46,-.51,;7.79,-1.28,;7.79,-2.82,;9.12,-3.59,;6.46,-3.59,;5.12,-2.82,;-.21,-1.28,;-8.18,-.15,;-9.12,1.07,;-8.79,-1.57,)|

BDBM593267

COc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@H](O)CC2)n1)C1CC1 |r,wU:16.16,wD:19.20,(-3.13,3.59,;-2.99,2.05,;-4.13,1.02,;-5.64,1.34,;-6.41,.01,;-5.38,-1.13,;-3.97,-.51,;-2.64,-1.28,;-1.3,-.51,;-1.3,1.03,;.03,1.8,;1.36,1.03,;2.7,1.8,;1.36,-.51,;2.7,-1.28,;4.03,-.51,;5.36,-1.28,;6.7,-.51,;8.03,-1.28,;8.03,-2.82,;9.37,-3.59,;6.7,-3.59,;5.36,-2.82,;.03,-1.28,;-7.94,-.15,;-9.37,.43,;-9.16,-1.09,)|

BDBM593268

O[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)nc(Cl)c2F)CC1 |r,wU:4.4,wD:1.0,(10,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;.67,-1.54,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-10,3.08,;-10,1.54,;-8.67,.77,;-.67,.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;6,-3.08,;7.34,-3.85,)|

BDBM593269

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(Cl)c(F)c(OC[C@H]3CC[C@H](O)CC3)n2)cc1 |r,wU:22.22,1.0,5.5,wD:25.26,(-8,4.62,;-8,3.08,;-6.67,2.31,;-6.67,.77,;-8,,;-9.34,.77,;-10.67,,;-9.34,2.31,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;;1.33,.77,;1.33,2.31,;2.67,,;4,.77,;2.67,-1.54,;4,-2.31,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;9.34,-3.85,;10.67,-4.62,;8,-4.62,;6.67,-3.85,;1.33,-2.31,;-2.67,,;-4,.77,)|

BDBM593270

Cc1nn(cc1Nc1nc(Cl)c(F)c(OC[C@H]2CC[C@H](O)CC2)n1)C(C)(C)C#N |r,wU:16.16,wD:19.20,(-2.86,2.18,;-4.01,1.15,;-5.51,1.47,;-6.28,.13,;-5.25,-1.01,;-3.85,-.38,;-2.51,-1.15,;-1.18,-.38,;-1.18,1.15,;.15,1.93,;.15,3.47,;1.49,1.15,;2.82,1.93,;1.49,-.38,;2.82,-1.15,;4.16,-.38,;5.49,-1.15,;6.82,-.38,;8.16,-1.15,;8.16,-2.69,;9.49,-3.47,;6.82,-3.47,;5.49,-2.69,;.15,-1.15,;-7.82,-.03,;-8.9,-1.12,;-7.42,-1.52,;-8.72,1.22,;-9.49,2.55,)|

BDBM593271

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCCC(O)C3)n2)cc1 |r|

BDBM593272

Cc1nn(cc1Nc1nc(Cl)c(F)c(OCC2CCCC(O)C2)n1)C(C)(C)C#N

BDBM593273

CC1(O)CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1 |(10.11,-2.8,;8.57,-2.8,;9.34,-4.13,;7.23,-3.57,;5.9,-2.8,;5.9,-1.26,;4.56,-.49,;3.23,-1.26,;1.9,-.49,;.56,-1.26,;-.77,-.49,;-2.1,-1.26,;-3.44,-.49,;-4.77,-1.26,;-6.1,-.49,;-6.1,1.05,;-4.77,1.82,;-3.44,1.05,;-7.44,1.82,;-8.77,1.05,;-10.11,1.82,;-10.11,3.36,;-8.77,4.13,;-7.44,3.36,;-.77,1.05,;.56,1.82,;1.9,1.05,;3.23,1.82,;7.23,-.49,;8.57,-1.26,)|

BDBM593274

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCC(C)(O)CC3)n2)cc1 |r,wU:1.0,5.5,(-8.11,4.9,;-8.11,3.36,;-6.77,2.59,;-6.77,1.05,;-8.11,.28,;-9.44,1.05,;-10.77,.28,;-9.44,2.59,;-5.44,.28,;-5.44,-1.26,;-4.1,-2.03,;-2.77,-1.26,;-1.44,-2.03,;-.1,-1.26,;-.1,.28,;1.23,1.05,;2.56,.28,;3.9,1.05,;2.56,-1.26,;3.9,-2.03,;5.23,-1.26,;6.57,-2.03,;6.57,-3.57,;7.9,-4.34,;9.23,-3.57,;10.77,-3.57,;10,-4.9,;9.23,-2.03,;7.9,-1.26,;1.23,-2.03,;-2.77,.28,;-4.1,1.05,)|

BDBM593275

Cc1nn(cc1Nc1ncc(F)c(OCC2CCC(C)(O)CC2)n1)C(C)(C)C#N |(-2.97,2.92,;-4.11,1.89,;-5.62,2.21,;-6.39,.87,;-5.36,-.27,;-3.95,.35,;-2.62,-.42,;-1.28,.35,;-1.28,1.89,;.05,2.66,;1.39,1.89,;2.72,2.66,;1.39,.35,;2.72,-.42,;4.05,.35,;5.39,-.42,;5.39,-1.96,;6.72,-2.73,;8.05,-1.96,;9.59,-1.96,;8.82,-3.29,;8.05,-.42,;6.72,.35,;.05,-.42,;-7.92,.71,;-9.01,-.38,;-7.52,-.78,;-8.82,1.96,;-9.59,3.29,)|

BDBM593276

CC(C)(O)[C@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3C4CCC3COC4)ncc2F)CC1 |r,wU:4.3,wD:7.7,(10.67,-2.31,;9.34,-3.08,;9.34,-4.62,;10.67,-3.85,;8,-2.31,;6.67,-3.08,;5.33,-2.31,;5.33,-.77,;4,,;2.67,-.77,;1.33,,;,-.77,;-1.33,,;-2.67,-.77,;-4,,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-5.33,2.31,;-4,1.54,;-8,2.31,;-8,3.85,;-9.05,3.53,;-9.55,2.61,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-9.34,4.62,;-1.33,1.54,;,2.31,;1.33,1.54,;2.67,2.31,;6.67,,;8,-.77,)|

BDBM593277

CC(C)n1cc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)C(C)(C)O)n2)cn1 |r,wU:18.21,wD:15.14,(-9.77,2.76,;-8.87,1.51,;-9.49,.11,;-7.34,1.67,;-6.31,.53,;-4.9,1.15,;-3.56,.38,;-2.23,1.15,;-2.23,2.69,;-.9,3.47,;.44,2.69,;1.77,3.47,;.44,1.15,;1.77,.38,;3.1,1.15,;4.44,.38,;4.44,-1.15,;5.77,-1.93,;7.1,-1.15,;7.1,.38,;5.77,1.15,;8.44,-1.93,;9.77,-1.15,;8.44,-3.47,;9.77,-2.69,;-.9,.38,;-5.06,2.69,;-6.57,3.01,)|

BDBM593278

CC(C)n1cc(Nc2ncc(F)c(OCC34CCC(O)(CC3)CC4)n2)cn1

BDBM593279

CC(C)(C#N)n1cc(Nc2ncc(F)c(OCC34CCC(O)(CC3)CC4)n2)cn1

BDBM593280

O[C@@H]1CC[C@H](COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)C[C@H]1F |r|

BDBM593281

Cc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@@H](O)[C@H](F)C2)n1)C(C)(C)C#N |r|

BDBM593282

OC1(CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1)C(F)(F)F |(8,-3.85,;8,-2.31,;6.67,-3.08,;5.33,-2.31,;5.33,-.77,;4,,;2.67,-.77,;1.33,,;,-.77,;-1.33,,;-2.67,-.77,;-4,,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-5.33,2.31,;-4,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-9.34,4.62,;-8,3.85,;-1.33,1.54,;,2.31,;1.33,1.54,;2.67,2.31,;6.67,,;8,-.77,;9.34,-3.08,;10.67,-2.31,;9.34,-4.62,;10.67,-3.85,)|

BDBM593283

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCC(O)(CC3)C(F)(F)F)n2)cc1 |r,wU:1.0,5.5,(-8.67,5.39,;-8.67,3.85,;-7.34,3.08,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-11.34,.77,;-10,3.08,;-6,.77,;-6,-.77,;-4.67,-1.54,;-3.33,-.77,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;2,.77,;3.33,1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-4.62,;8.67,-1.54,;7.34,-.77,;10,-3.85,;11.34,-3.08,;10,-5.39,;11.34,-4.62,;.67,-1.54,;-3.33,.77,;-4.67,1.54,)|

BDBM593284

Cc1nn(cc1Nc1ncc(F)c(OCC2CCC(O)(CC2)C(F)(F)F)n1)C(C)(C)C#N |(-3.6,3.36,;-4.74,2.33,;-6.25,2.65,;-7.02,1.32,;-5.99,.17,;-4.58,.8,;-3.25,.03,;-1.91,.8,;-1.91,2.34,;-.58,3.11,;.75,2.34,;2.09,3.11,;.75,.8,;2.09,.03,;3.42,.8,;4.75,.03,;4.75,-1.51,;6.09,-2.28,;7.42,-1.51,;7.42,-3.05,;7.42,.03,;6.09,.8,;8.76,-2.28,;8.76,-3.82,;10.09,-1.51,;10.09,-3.05,;-.58,.03,;-8.55,1.15,;-9.64,.07,;-8.15,-.33,;-9.32,2.49,;-10.09,3.82,)|

BDBM593285

Cc1nn(cc1Nc1ncc(F)c(OCC2CCCC(O)CC2)n1)C(C)(C)C#N |w:14.15,19.20|

BDBM593286

Cc1nc(Nc2ccc(cc2)N2CCOCC2)nc(OCC2CCC(O)CC2)c1F |(.67,3.08,;.67,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-10,3.08,;-10,1.54,;-8.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;10,-3.85,;8.67,-1.54,;7.34,-.77,;2,.77,;3.33,1.54,)|

BDBM593287

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(C)c(F)c(OCC3CCC(O)CC3)n2)cc1 |r,wU:1.0,5.5,(-8,4.62,;-8,3.08,;-6.67,2.31,;-6.67,.77,;-8,,;-9.34,.77,;-10.67,,;-9.34,2.31,;-5.33,,;-4,.77,;-2.67,,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;;1.33,.77,;1.33,2.31,;2.67,,;4,.77,;2.67,-1.54,;4,-2.31,;5.33,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.34,-3.85,;10.67,-4.62,;9.34,-2.31,;8,-1.54,;1.33,-2.31,;-4,-2.31,;-5.33,-1.54,)|

BDBM593288

Cc1nn(cc1Nc1nc(C)c(F)c(OCC2CCC(O)CC2)n1)C(C)(C)C#N |(-2.93,2.18,;-4.07,1.15,;-5.58,1.47,;-6.35,.13,;-5.32,-1.01,;-3.91,-.38,;-2.58,-1.15,;-1.25,-.38,;-1.25,1.15,;.09,1.93,;.09,3.47,;1.42,1.15,;2.75,1.93,;1.42,-.38,;2.75,-1.15,;4.09,-.38,;5.42,-1.15,;5.42,-2.69,;6.76,-3.47,;8.09,-2.69,;9.42,-3.47,;8.09,-1.15,;6.76,-.38,;.09,-1.15,;-7.88,-.03,;-8.97,-1.12,;-7.48,-1.52,;-8.65,1.31,;-9.42,2.64,)|

BDBM593289

Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCC(F)(F)CC1

BDBM593290

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCC(F)(F)CC3)n2)cc1 |r|

BDBM593291

Cc1nn(cc1Nc1ncc(F)c(OCC2CCC(F)(F)CC2)n1)C(C)(C)C#N

BDBM593292

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCC(F)(F)C3)n2)cc1 |r|

BDBM593293

Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCC(CC1)C#N |(2.67,1.93,;1.33,1.15,;,1.92,;-1.33,1.15,;-1.33,-.39,;-2.67,-1.16,;-4,-.39,;-4,1.15,;-5.33,1.92,;-6.67,1.15,;-6.67,-.39,;-5.33,-1.16,;-8,1.92,;-8,3.46,;-9.34,4.23,;-10.67,3.46,;-10.67,1.92,;-9.34,1.15,;,-1.16,;1.33,-.39,;2.67,-1.16,;4,-.39,;5.33,-1.16,;5.33,-2.69,;6.67,-3.47,;8,-2.69,;8,-1.16,;6.67,-.38,;9.34,-3.46,;10.67,-4.23,)|

BDBM593294

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCC(CC3)C#N)n2)cc1 |r,wU:1.0,5.5,(-8.67,5,;-8.67,3.46,;-7.34,2.69,;-7.34,1.15,;-8.67,.38,;-10,1.15,;-11.34,.38,;-10,2.69,;-6,.38,;-4.67,1.15,;-3.33,.38,;-3.33,-1.16,;-2,-1.93,;-.67,-1.16,;-.67,.38,;.67,1.15,;2,.38,;3.33,1.16,;2,-1.16,;3.33,-1.93,;4.67,-1.16,;6,-1.93,;6,-3.46,;7.34,-4.24,;8.67,-3.46,;8.67,-1.93,;7.34,-1.15,;10,-4.23,;11.34,-5,;.67,-1.93,;-4.67,-1.93,;-6,-1.16,)|

BDBM593295

Cc1nn(cc1Nc1ncc(F)c(OCC2CCC(CC2)C#N)n1)C(C)(C)C#N |(-3.6,2.97,;-4.74,1.94,;-6.25,2.26,;-7.02,.93,;-5.99,-.21,;-4.58,.41,;-3.25,-.36,;-1.91,.41,;-1.91,1.95,;-.58,2.72,;.75,1.95,;2.09,2.72,;.75,.41,;2.09,-.36,;3.42,.41,;4.75,-.36,;4.75,-1.9,;6.09,-2.67,;7.42,-1.9,;7.42,-.36,;6.09,.41,;8.76,-2.67,;10.09,-3.44,;-.58,-.36,;-8.55,.77,;-9.64,-.32,;-8.15,-.72,;-9.32,2.1,;-10.09,3.44,)|

BDBM593296

CCOC1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1 |(11.34,-3.85,;10,-3.08,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;6,-.77,;7.34,-1.54,)|

BDBM593297

CCOC1CCC(COc2nc(Nc3ccc(cc3)N3C[C@H](C)O[C@H](C)C3)ncc2F)CC1 |r,wU:21.22,24.25,(12,-4.62,;10.67,-3.85,;9.34,-4.62,;8,-3.85,;6.67,-4.62,;5.33,-3.85,;5.33,-2.31,;4,-1.54,;2.67,-2.31,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,.77,;-6.67,,;-6.67,-1.54,;-5.33,-2.31,;-8,.77,;-8,2.31,;-9.34,3.08,;-9.34,4.62,;-10.67,2.31,;-10.67,.77,;-12,,;-9.34,,;-1.33,,;,.77,;1.33,,;2.67,.77,;6.67,-1.54,;8,-2.31,)|

BDBM593298

CCOC1CCC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)CC1 |(10.82,-3.01,;9.49,-2.24,;8.16,-3.01,;6.82,-2.24,;5.49,-3.01,;4.16,-2.24,;4.16,-.7,;2.82,.07,;1.49,-.7,;.15,.07,;-1.18,-.7,;-2.51,.07,;-3.85,-.7,;-5.18,.07,;-6.59,-.55,;-7.62,.59,;-6.85,1.92,;-5.34,1.6,;-4.2,2.63,;-9.15,.43,;-8.75,-1.06,;-10.24,-.66,;-10.05,1.67,;-10.82,3.01,;-2.51,1.61,;-1.18,2.38,;.15,1.61,;1.49,2.38,;5.49,.07,;6.82,-.7,)|

BDBM593299

CC(C)OC1CCC(COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2F)CC1 |(11.34,-3.85,;10,-3.08,;10,-1.54,;8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;6,-.77,;7.34,-1.54,)|

BDBM593300

CC(C)OC1CCC(COc2nc(Nc3ccc(cc3)N3C[C@H](C)O[C@H](C)C3)ncc2F)CC1 |r,wU:22.23,25.26,(12,-4.62,;10.67,-3.85,;10.67,-2.31,;9.34,-4.62,;8,-3.85,;6.67,-4.62,;5.33,-3.85,;5.33,-2.31,;4,-1.54,;2.67,-2.31,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,.77,;-6.67,,;-6.67,-1.54,;-5.33,-2.31,;-8,.77,;-8,2.31,;-9.34,3.08,;-9.34,4.62,;-10.67,2.31,;-10.67,.77,;-12,,;-9.34,,;-1.33,,;,.77,;1.33,,;2.67,.77,;6.67,-1.54,;8,-2.31,)|

BDBM593301

CC(C)OC1CCC(COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)CC1 |(10.82,-3.01,;9.49,-2.24,;9.49,-.7,;8.16,-3.01,;6.82,-2.24,;5.49,-3.01,;4.16,-2.24,;4.16,-.7,;2.82,.07,;1.49,-.7,;.15,.07,;-1.18,-.7,;-2.51,.07,;-3.85,-.7,;-5.18,.07,;-6.59,-.55,;-7.62,.59,;-6.85,1.92,;-5.34,1.6,;-4.2,2.63,;-9.15,.43,;-8.75,-1.06,;-10.24,-.66,;-10.05,1.67,;-10.82,3.01,;-2.51,1.61,;-1.18,2.38,;.15,1.61,;1.49,2.38,;5.49,.07,;6.82,-.7,)|

BDBM593302

Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCC(CC1)OC(F)(F)F |w:21.24,25.31,(2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-11.34,3.08,;-11.34,1.54,;-10,.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;6,-.77,;8.67,-3.85,;10,-3.08,;11.34,-3.85,;10,-1.54,;11.34,-2.31,)|

BDBM593304

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCC(CC3)OC(F)(F)F)n2)cc1 |r,wU:1.0,5.5,(-9.34,4.62,;-9.34,3.08,;-8,2.31,;-8,.77,;-9.34,,;-10.67,.77,;-12,,;-10.67,2.31,;-6.67,,;-5.33,.77,;-4,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;1.33,,;2.67,.77,;1.33,-1.54,;2.67,-2.31,;4,-1.54,;5.33,-2.31,;5.33,-3.85,;6.67,-4.62,;8,-3.85,;8,-2.31,;6.67,-1.54,;9.34,-4.62,;10.67,-3.85,;12,-4.62,;10.67,-2.31,;12,-3.08,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,)|

BDBM593305

Cc1nn(cc1Nc1ncc(F)c(OCC2CCC(CC2)OC(F)(F)F)n1)C(C)(C)C#N |(-4.2,2.63,;-5.34,1.6,;-6.85,1.92,;-7.62,.59,;-6.59,-.55,;-5.18,.07,;-3.85,-.7,;-2.51,.07,;-2.51,1.61,;-1.18,2.38,;.15,1.61,;1.49,2.38,;.15,.07,;1.49,-.7,;2.82,.07,;4.16,-.7,;4.16,-2.24,;5.49,-3.01,;6.82,-2.24,;6.82,-.7,;5.49,.07,;8.16,-3.01,;9.49,-2.24,;10.82,-3.01,;9.49,-.7,;10.82,-1.47,;-1.18,-.7,;-9.15,.43,;-8.75,-1.06,;-10.24,-.66,;-10.05,1.67,;-10.82,3.01,)|

BDBM593306

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OC[C@H]3CC[C@@H](CC3)OC(F)F)n2)cc1 |r,wU:24.28,1.0,5.5,wD:21.21,(-9.34,4.62,;-9.34,3.08,;-8,2.31,;-8,.77,;-9.34,,;-10.67,.77,;-12,,;-10.67,2.31,;-6.67,,;-5.33,.77,;-4,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;1.33,,;2.67,.77,;1.33,-1.54,;2.67,-2.31,;4,-1.54,;5.33,-2.31,;5.33,-3.85,;6.67,-4.62,;8,-3.85,;8,-2.31,;6.67,-1.54,;9.34,-4.62,;10.67,-3.85,;12,-4.62,;10.67,-2.31,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,)|

BDBM593307

Cc1nn(cc1Nc1ncc(F)c(OC[C@H]2CC[C@@H](CC2)OC(F)F)n1)C(C)(C)C#N |r,wU:15.15,wD:18.22,(-4.2,2.63,;-5.34,1.6,;-6.85,1.92,;-7.62,.59,;-6.59,-.55,;-5.18,.07,;-3.85,-.7,;-2.51,.07,;-2.51,1.61,;-1.18,2.38,;.15,1.61,;1.49,2.38,;.15,.07,;1.49,-.7,;2.82,.07,;4.16,-.7,;5.49,.07,;6.82,-.7,;6.82,-2.24,;5.49,-3.01,;4.16,-2.24,;8.16,-3.01,;9.49,-2.24,;10.82,-3.01,;9.49,-.7,;-1.18,-.7,;-9.15,.43,;-8.75,-1.06,;-10.24,-.66,;-10.05,1.67,;-10.82,3.01,)|

BDBM593308

Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1OCC1CCS(=O)(=O)CC1

BDBM593309

C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(F)c(OCC3CCS(=O)(=O)CC3)n2)cc1 |r|

BDBM593310

Cc1nn(cc1Nc1ncc(F)c(OCC2CS(=O)(=O)C2)n1)C(C)(C)C#N

BDBM593311

Cc1nn(cc1Nc1ncc(F)c(OCC2CC(C2)C#N)n1)C(C)(C)C#N |w:14.15,17.20,(-3.14,2.79,;-4.28,1.76,;-5.79,2.08,;-6.56,.75,;-5.53,-.4,;-4.12,.23,;-2.79,-.54,;-1.46,.23,;-1.46,1.77,;-.12,2.54,;1.21,1.77,;2.55,2.54,;1.21,.23,;2.55,-.54,;3.88,.23,;5.21,-.54,;5.61,-2.03,;7.1,-1.63,;6.7,-.14,;8.43,-2.4,;9.77,-3.17,;-.12,-.54,;-8.09,.59,;-7.69,-.9,;-9.18,-.5,;-9,1.83,;-9.77,3.17,)|

BDBM593312