SMILES for Dipeptidyl peptidase 9

CC(=O)N(CCCC(F)(F)F)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.18,11.10,wD:14.14,(2.61,-39.48,;1.28,-38.71,;1.28,-37.17,;-.06,-39.48,;-.06,-41.02,;-1.4,-41.79,;-1.4,-43.33,;-2.74,-44.09,;-2.74,-45.63,;-4.07,-43.32,;-3.83,-45.18,;-1.39,-38.71,;-2.73,-39.47,;-4.05,-38.7,;-4.05,-37.17,;-2.72,-36.39,;-1.39,-37.16,;-5.38,-36.4,;-5.39,-34.86,;-6.72,-37.17,;-8.05,-36.4,;-8.06,-34.85,;-9.39,-34.09,;-9.4,-32.55,;-10.72,-34.86,;-10.72,-36.4,;-9.39,-37.18,;-9.39,-38.72,)|

BDBM50338404

CC(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.19,11.11,wD:14.15,(24.49,-30.59,;23.16,-29.81,;23.16,-28.27,;21.82,-30.58,;21.82,-32.12,;20.48,-32.89,;19.16,-32.11,;17.82,-32.87,;17.82,-34.42,;19.16,-35.19,;20.49,-34.42,;20.49,-29.81,;19.15,-30.57,;17.82,-29.81,;17.83,-28.27,;19.15,-27.49,;20.49,-28.27,;16.5,-27.5,;16.49,-25.96,;15.16,-28.27,;13.83,-27.51,;13.82,-25.96,;12.49,-25.19,;12.48,-23.65,;11.16,-25.96,;11.16,-27.51,;12.49,-28.28,;12.49,-29.82,)|

BDBM50302962

CC(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50338423

CC(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50356588

CC(=O)N1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(11.15,-31.36,;11.92,-32.69,;11.15,-34.03,;13.46,-32.7,;14.24,-31.37,;15.77,-31.37,;16.54,-32.7,;15.78,-34.04,;14.23,-34.03,;18.08,-32.7,;18.85,-34.03,;18.84,-31.36,;20.38,-31.36,;21.28,-32.61,;22.75,-32.13,;22.75,-30.6,;24.08,-29.82,;25.41,-30.58,;26.74,-29.81,;25.42,-32.13,;26.75,-32.9,;28.08,-32.13,;24.08,-32.91,;24.08,-34.44,;22.75,-35.21,;22.74,-36.75,;24.08,-37.52,;24.08,-39.06,;25.42,-36.74,;25.41,-35.21,;26.74,-34.43,;21.28,-30.12,;20.81,-28.65,)|

BDBM50102850

CC(=O)N[C@@H]1CCCN(C1)c1ccnc2n(C)c(=O)n(Cc3ccccc3C#N)c12 |r|

BDBM581101

CC(=O)Nc1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50296496

CC(=O)Nc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|

BDBM581102

CC(=O)Nc1cccc(c1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM581103

CC(=O)Nc1ccccc1-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50320302

CC(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50251719

CC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50296765

CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50326396

CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|

BDBM50210671

CC(C)(C)NC(=O)c1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

BDBM12644

CC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM12639

CC(C)(C)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

BDBM50050520

CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O

BDBM50151003

CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N

BDBM50389471

CC(C)(C)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O |r|

BDBM50389472

CC(C)(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|

BDBM589767

CC(C)(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM514542

CC(C)(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2[C@H]1B(O)O |r|

BDBM50443731

CC(C)(C)c1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 |r|

BDBM581069

CC(C)(C)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50302973

CC(C)(C)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50302956

CC(C)(C)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50320105

CC(C)(CC(=O)N1C2CCC1CC2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320111

CC(C)(CC(=O)N1CCC(=O)CC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320122

CC(C)(CC(=O)N1CCCC1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50320120

CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320113

CC(C)(CC(=O)N1CCCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320106

CC(C)(CC(=O)N1CCCCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320116

CC(C)(CC(=O)N1CCC[C@H]1CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320109

CC(C)(CC(=O)N1CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320110

CC(C)(CC(=O)N1CCOCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320114

CC(C)(CC(=O)N1CCSC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320117

CC(C)(CC(=O)N1CC[C@@H](F)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320121

CC(C)(CC(=O)N1CC[C@@H](O)C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50320119

CC(C)(CC(=O)N1CC[C@@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320118

CC(C)(CC(=O)N1CC[C@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM11719

CC(C)(CC(=O)N1Cc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50320104

CC(C)(CC(=O)NC1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50320125

CC(C)(CC(=O)Nc1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50296764

CC(C)(F)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM514521

CC(C)(F)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM50302971

CC(C)(F)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50338466

CC(C)C(=O)N(C)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:13.14,7.6,wD:10.10,(2.91,-12.9,;2.91,-11.36,;4.25,-10.59,;1.58,-10.59,;1.58,-9.05,;.25,-11.35,;.24,-12.89,;-1.09,-10.58,;-2.42,-11.35,;-3.75,-10.58,;-3.75,-9.04,;-2.42,-8.26,;-1.08,-9.04,;-5.08,-8.27,;-5.08,-6.73,;-6.41,-9.05,;-7.75,-8.28,;-7.75,-6.73,;-9.09,-5.96,;-9.09,-4.42,;-10.42,-6.74,;-10.42,-8.28,;-9.08,-9.05,;-9.09,-10.59,)|

BDBM11677

CC(C)C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|

BDBM50243408

CC(C)C[C@H](N)C(=O)N1CCCC1 |r|

BDBM50050528

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1B(O)O

BDBM213833

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O |r|

BDBM213829

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O |r|

BDBM213832

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(O)=O |r|

BDBM213830

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O |r|

BDBM213831

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O |r|

BDBM213828

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O |r|

BDBM581075

CC(C)C\C=C\c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50333184

CC(C)Cc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN

BDBM50333177

CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r|

BDBM50336808

CC(C)Cc1nc(C)c(CC(O)=O)c(-c2ccc(C)cc2)c1CN

BDBM50336809

CC(C)Cc1nc(C)c(CCC(O)=O)c(-c2ccc(C)cc2)c1CN

BDBM50336817

CC(C)Cc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O

BDBM50336806

CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O

BDBM50222472

CC(C)Cn1c2CCN(Cc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F

BDBM50222478

CC(C)Cn1c2CN(CCc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F

BDBM50324519

CC(C)N1CCC(CC1)NC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-8.34,-7.86,;-7.53,-9.18,;-8.26,-10.53,;-5.99,-9.13,;-5.25,-7.77,;-3.71,-7.72,;-2.89,-9.04,;-3.63,-10.4,;-5.17,-10.44,;-1.34,-8.99,;-.62,-7.63,;-1.43,-6.32,;.92,-7.58,;1.86,-8.8,;3.31,-8.28,;4.66,-9.01,;5.97,-8.2,;7.33,-8.93,;8.63,-8.12,;5.92,-6.66,;7.23,-5.84,;4.56,-5.94,;3.26,-6.75,;1.79,-6.32,;4.63,-10.54,;3.28,-11.28,;3.25,-12.82,;4.57,-13.62,;4.54,-15.16,;5.92,-12.87,;5.94,-11.34,;7.29,-10.59,)|

BDBM11200

CC(C)NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM581096

CC(C)Oc1ccc(cn1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM581090

CC(C)[C@@H](NC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

BDBM50337787

CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|

BDBM50153404

CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C([NH3+])C2CCCCC2)cc1)C(O)=O

BDBM50153382

CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(O)=O

BDBM50153384

CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2cc(F)ccc2F)cc1)C(O)=O

BDBM589775

CC(C)[C@H](N(C)C)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM50178428

CC(C)[C@H](N)C(=O)N1CCCC1 |r|

BDBM50171552

CC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O

BDBM50050513

CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM514553

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)CO |r|

BDBM514551

CC(C)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O |r|

BDBM514550

CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|

BDBM589766

CC(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM514541

CC(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2[C@H]1B(O)O |r|

BDBM50171556

CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|

BDBM142092

CC(C)[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|

BDBM50431227

CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM581091

CC(C)[C@H](NC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

BDBM50253641

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM50276653

CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(O)=O |r|

BDBM50336816

CC(C)c1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O

BDBM50102864

CC(C)n1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O |r|

BDBM50296763

CC(F)(F)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50102858

CC1(C)C(=O)N(Cc2ccccc2C#N)c2c1nccc2N1CCC[C@@H](N)C1 |r|

BDBM514552

CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|

BDBM514554

CC1(C)CCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|

BDBM50232505

CC1(C)CN(Cc2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

BDBM514526

CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|

BDBM50232524

CC1(C)N(CCn2c(nnc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

BDBM514555

CC1(CC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM514520

CC1(CCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM514516

CC1(CCCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM514540

CC1(CCCCC1)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM50276520

CC1(CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@H](F)C[C@@H]1C#N |r|

BDBM12648

CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

BDBM12646

CC1(CCN(CC1)c1ccc(cn1)C#N)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

BDBM12647

CC1(CCN(CC1)c1ccc(cn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

BDBM622067

CC1(CF)CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM50302972

CC1(COC1)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50232504

CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4|

BDBM50222485

CC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0|

BDBM50222481

CC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |w:1.0|

BDBM50323172

CCC(=O)c1cnn2c(c(CN)c(C)nc12)-c1ccc(Cl)cc1Cl |(35.55,5.03,;36.03,3.57,;37.54,3.26,;38.56,4.42,;38.03,1.8,;37.12,.54,;38.05,-.7,;39.51,-.21,;40.84,-.97,;42.18,-.2,;43.51,-.96,;44.84,-.19,;42.17,1.34,;43.51,2.12,;40.84,2.11,;39.5,1.34,;40.85,-2.5,;39.52,-3.27,;39.52,-4.82,;40.86,-5.59,;40.86,-7.13,;42.19,-4.82,;42.19,-3.27,;43.52,-2.49,)|

BDBM50222468

CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|

BDBM50232511

CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|

BDBM50187261

CCCCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N

BDBM50171557

CCCC[C@@H](NC(=O)[C@@H](N)C(C)C)B(O)O

BDBM50171547

CCCC[C@@H](NC(=O)[C@@H](N)CC)B(O)O

BDBM50171550

CCCC[C@@H](NC(=O)[C@@H](N)CCC)B(O)O

BDBM50171558

CCCC[C@@H](NC(=O)[C@@H](N)CCCCN)B(O)O

BDBM50171553

CCCC[C@@H](NC(=O)[C@@H](N)CCCN)B(O)O

BDBM50171546

CCCC[C@@H](NC(=O)[C@@H](N)CCN)B(O)O

BDBM50171559

CCCC[C@@H](NC(=O)[C@@H](N)CN)B(O)O

BDBM50243495

CCCC[C@H](N)C(=O)N1CCCC1 |r|

BDBM50171548

CCCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O

BDBM50171551

CCCC[C@H](N)C(=O)N[C@H](CCCC)B(O)O

BDBM50196928

CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O

BDBM50242274

CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50442185

CCCN(C)C(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(5.49,-27.06,;6.26,-28.39,;5.5,-29.73,;6.28,-31.06,;7.82,-31.05,;5.51,-32.4,;3.97,-32.41,;6.29,-33.73,;7.83,-33.72,;8.73,-32.46,;10.21,-32.94,;11.54,-32.17,;12.87,-32.93,;14.2,-32.16,;12.88,-34.48,;14.21,-35.25,;15.55,-34.48,;11.55,-35.25,;11.54,-36.79,;10.21,-37.55,;10.2,-39.09,;11.53,-39.87,;11.53,-41.41,;12.87,-39.09,;12.87,-37.56,;14.2,-36.79,;10.22,-34.48,;8.75,-34.97,;8.28,-36.44,)|

BDBM50242265

CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50336815

CCCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O

BDBM11204

CCN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM50323186

CCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(4.01,-11.98,;5.55,-11.97,;6.31,-10.63,;5.54,-9.3,;7.85,-10.62,;8.75,-9.37,;10.23,-9.83,;11.56,-9.06,;12.9,-9.83,;14.23,-9.05,;12.9,-11.37,;14.24,-12.13,;15.57,-11.36,;11.57,-12.14,;11.58,-13.67,;10.25,-14.44,;10.25,-15.99,;11.58,-16.76,;11.58,-18.3,;12.92,-15.99,;12.91,-14.44,;14.24,-13.66,;10.24,-11.38,;8.77,-11.86,)|

BDBM50375031

CCN(CC#N)C(=O)[C@@H]1C[C@@H]([C@H](C)N1)C(=O)N(C)C

BDBM50442190

CCN(CC)C(=O)CCn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(29.61,-4.69,;30.38,-3.36,;31.92,-3.35,;32.69,-4.68,;34.23,-4.67,;32.68,-2.01,;31.9,-.68,;34.22,-2,;35,-3.33,;36.54,-3.33,;37.44,-2.07,;38.92,-2.54,;40.25,-1.77,;41.58,-2.54,;42.91,-1.76,;41.59,-4.09,;42.92,-4.85,;44.25,-4.08,;40.25,-4.86,;40.25,-6.4,;38.91,-7.16,;38.91,-8.7,;40.24,-9.47,;40.24,-11.01,;41.58,-8.7,;41.58,-7.16,;42.91,-6.39,;38.92,-4.09,;37.45,-4.57,;36.99,-6.04,)|

BDBM50356590

CCN(CC)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(39.88,-17.76,;39.11,-19.1,;39.89,-20.43,;39.12,-21.76,;39.89,-23.09,;41.43,-20.43,;42.2,-21.76,;42.19,-19.09,;43.73,-19.09,;44.63,-20.33,;46.09,-19.86,;46.1,-18.32,;47.43,-17.55,;48.76,-18.31,;50.09,-17.53,;48.77,-19.86,;50.1,-20.63,;51.43,-19.86,;47.43,-20.63,;47.43,-22.17,;46.09,-22.94,;46.09,-24.47,;47.43,-25.25,;47.43,-26.79,;48.77,-24.47,;48.76,-22.93,;50.09,-22.16,;44.63,-17.84,;44.16,-16.38,)|

BDBM50442191

CCN(CC)C(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(18.85,-1.37,;18.08,-2.7,;16.54,-2.71,;15.77,-1.38,;14.23,-1.39,;15.78,-4.05,;14.24,-4.06,;16.56,-5.38,;18.1,-5.37,;19,-4.11,;20.48,-4.59,;21.8,-3.82,;23.14,-4.58,;24.47,-3.81,;23.14,-6.13,;24.48,-6.9,;25.81,-6.13,;21.81,-6.9,;21.81,-8.44,;20.47,-9.2,;20.47,-10.74,;21.8,-11.52,;21.8,-13.06,;23.14,-10.74,;23.14,-9.21,;24.47,-8.44,;20.48,-6.13,;19.01,-6.62,;18.54,-8.09,)|

BDBM50320298

CCN(CC)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50442189

CCN(CC)C(=O)[C@@H](C)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |r,wU:7.7,(15.06,-9.1,;16.59,-9.09,;17.36,-10.41,;16.6,-11.73,;17.37,-13.05,;18.89,-10.4,;19.66,-11.72,;19.64,-9.07,;18.87,-7.76,;21.18,-9.07,;22.09,-7.81,;23.56,-8.28,;24.89,-7.51,;26.23,-8.28,;27.56,-7.5,;26.23,-9.83,;27.57,-10.6,;28.9,-9.82,;24.9,-10.6,;24.89,-12.14,;23.56,-12.9,;23.55,-14.44,;24.89,-15.21,;24.88,-16.76,;26.23,-14.44,;26.22,-12.9,;27.56,-12.13,;23.57,-9.83,;22.1,-10.32,;21.63,-11.78,)|

BDBM11205

CCN(CC)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM50324515

CCN(CC)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-7.06,-1.08,;-6.33,.27,;-4.79,.32,;-3.98,-.99,;-4.71,-2.34,;-4.07,1.68,;-4.88,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;2.48,2.65,;3.79,3.47,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;1.19,-1.24,;-.16,-1.98,;-.19,-3.51,;1.13,-4.32,;1.1,-5.86,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,)|

BDBM50323185

CCN(CC)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.42,-8.67,;-7.88,-8.66,;-7.1,-9.99,;-7.86,-11.33,;-9.4,-11.34,;-5.56,-9.98,;-4.66,-8.72,;-3.19,-9.19,;-1.86,-8.41,;-.52,-9.18,;.81,-8.41,;-.51,-10.72,;.82,-11.49,;2.15,-10.71,;-1.85,-11.49,;-1.84,-13.03,;-3.17,-13.8,;-3.17,-15.34,;-1.84,-16.11,;-1.84,-17.65,;-.5,-15.34,;-.5,-13.79,;.83,-13.02,;-3.18,-10.73,;-4.65,-11.22,)|

BDBM50338421

CCN(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:16.18,10.10,wD:13.13,(14.43,-8.02,;15.77,-7.26,;15.79,-5.72,;17.12,-4.96,;18.45,-5.74,;18.44,-7.27,;19.76,-8.05,;21.1,-7.29,;21.11,-5.74,;19.78,-4.97,;14.45,-4.95,;13.12,-5.72,;11.79,-4.95,;11.79,-3.41,;13.12,-2.63,;14.46,-3.41,;10.46,-2.64,;10.46,-1.1,;9.13,-3.42,;7.79,-2.65,;7.79,-1.1,;6.45,-.33,;6.45,1.21,;5.12,-1.1,;5.12,-2.65,;6.46,-3.42,;6.45,-4.96,)|

BDBM50338476

CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(C)=O |r,wU:9.10,3.2,wD:6.6,(35.87,-35.57,;37.21,-34.8,;37.21,-33.26,;35.88,-32.49,;34.54,-33.26,;33.22,-32.49,;33.22,-30.95,;34.55,-30.17,;35.88,-30.95,;31.89,-30.18,;31.89,-28.64,;30.56,-30.96,;29.22,-30.19,;29.21,-28.64,;27.88,-27.87,;27.87,-26.33,;26.55,-28.65,;26.55,-30.19,;27.88,-30.96,;27.88,-32.5,;38.55,-32.5,;39.88,-33.27,;38.55,-30.96,)|

BDBM50338458

CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1c(C)noc1C |r,wU:9.10,3.2,wD:6.5,(16.93,-43.94,;18.26,-43.17,;18.27,-41.63,;16.93,-40.86,;15.6,-41.63,;14.27,-40.86,;14.28,-39.32,;15.6,-38.54,;16.94,-39.32,;12.94,-38.55,;12.94,-37.01,;11.61,-39.33,;10.27,-38.56,;10.27,-37.01,;8.93,-36.24,;8.93,-34.7,;7.6,-37.01,;7.6,-38.56,;8.94,-39.33,;8.94,-40.87,;19.6,-40.87,;18.82,-39.53,;20.36,-39.53,;20.93,-41.63,;22.34,-41.01,;22.66,-39.51,;23.37,-42.15,;22.6,-43.48,;21.1,-43.16,;19.95,-44.19,)|

BDBM50338461

CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(C)(=O)=O |r,wU:9.10,3.2,wD:6.6,(-1.29,-2.34,;.05,-1.58,;.05,-.04,;-1.28,.74,;-2.62,-.03,;-3.95,.74,;-3.94,2.27,;-2.62,3.05,;-1.28,2.28,;-5.27,3.04,;-5.28,4.58,;-6.61,2.27,;-7.94,3.04,;-7.95,4.59,;-9.28,5.35,;-9.29,6.89,;-10.61,4.58,;-10.61,3.04,;-9.28,2.27,;-9.28,.73,;1.39,.73,;2.71,-.04,;.61,2.07,;2.15,2.07,)|

BDBM50177780

CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c1c2=O |r|

BDBM162383

CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C(F)(F)F)c1c2=O |r|

BDBM162382

CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3F)c1c2=O |r|

BDBM11199

CCNC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11170

CCOC(=O)C(F)(F)n1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM11169

CCOC(=O)Cn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50320107

CCOC(=O)N1CCN(CC1)C(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM11182

CCOC(=O)Nc1c(F)c(=O)n(C)cc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50516915

CCOC(=O)c1cc(Br)ccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50516925

CCOC(=O)c1cc(Cl)ccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM11510

CCOC(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50251720

CCOC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM11498

CCOC(=O)c1cccc(c1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50324514

CCOC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-9.34,-.68,;-8.61,.68,;-7.07,.72,;-6.34,2.08,;-7.15,3.39,;-4.8,2.13,;-3.86,.91,;-2.41,1.43,;-1.06,.7,;.25,1.51,;1.61,.79,;2.92,1.59,;.2,3.06,;1.51,3.87,;-1.16,3.77,;-2.46,2.96,;-3.93,3.4,;-1.01,-.83,;-2.32,-1.64,;-2.28,-3.18,;-.92,-3.91,;-.87,-5.44,;.4,-3.09,;.34,-1.55,;1.65,-.74,)|

BDBM50338431

CCOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50210666

CCOC(=O)c1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

BDBM50210651

CCOC(=O)c1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1cc(F)ccc1F

BDBM50442194

CCOC(=O)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(.66,-48.35,;1.43,-49.68,;.67,-51.02,;1.45,-52.35,;.68,-53.69,;2.98,-52.34,;3.89,-51.08,;5.36,-51.56,;6.69,-50.79,;8.03,-51.55,;9.36,-50.78,;8.03,-53.1,;9.37,-53.87,;10.7,-53.09,;6.7,-53.87,;6.7,-55.41,;5.36,-56.17,;5.36,-57.71,;6.69,-58.49,;6.68,-60.03,;8.03,-57.71,;8.03,-56.18,;9.36,-55.41,;5.37,-53.1,;3.9,-53.59,;3.43,-55.06,)|

BDBM50187283

CCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N

BDBM50332238

CCOCCCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r|

BDBM50320296

CCO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50296501

CCS(=O)(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|

BDBM589752

CC[C@@H](C)C(N)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM50243407

CC[C@@H](C)[C@H](N)C(=O)N1CCCC1 |r|

BDBM514518

CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM11465

CC[C@@H](C)[C@H](N)C(=O)N1CCSC1 |r|

BDBM50243688

CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H](C[C@H]1C#N)N=[N+]=[N-] |r|

BDBM50243649

CC[C@@H](C)[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|

BDBM50243130

CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccc(C)cc2C1 |r|

BDBM50243129

CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM50243131

CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)C(F)(F)F |r|

BDBM50243128

CC[C@@H](C)[C@H](N)C(=O)N1Cc2cccc(F)c2C1 |r|

BDBM50225437

CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1 |r|

BDBM514533

CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|

BDBM17300

CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCSC1 |r|

BDBM50243499

CC[C@H](C)[C@H](N)C(=O)N1CC=CC1 |r,c:10|

BDBM50243554

CC[C@H](C)[C@H](N)C(=O)N1CCC(C1)N=[N+]=[N-] |r|

BDBM50243556

CC[C@H](C)[C@H](N)C(=O)N1CCC(Cl)C1 |r|

BDBM50243555

CC[C@H](C)[C@H](N)C(=O)N1CCC(F)C1 |r|

BDBM50243553

CC[C@H](C)[C@H](N)C(=O)N1CCC(O)C1 |r|

BDBM50243496

CC[C@H](C)[C@H](N)C(=O)N1CCC1 |r|

BDBM50243552

CC[C@H](C)[C@H](N)C(=O)N1CCC=CC1 |r,c:11|

BDBM50118943

CC[C@H](C)[C@H](N)C(=O)N1CCCC1 |r|

BDBM50243497

CC[C@H](C)[C@H](N)C(=O)N1CCCCC1 |r|

BDBM50243498

CC[C@H](C)[C@H](N)C(=O)N1CCCCCC1 |r|

BDBM50369128

CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O

BDBM11464

CC[C@H](C)[C@H](N)C(=O)N1CCSC1 |r|

BDBM50243648

CC[C@H](C)[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|

BDBM50243079

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(Br)cc2C1 |r|

BDBM50242931

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(C)cc2C1 |r|

BDBM50242854

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM50243080

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(I)cc2C1 |r|

BDBM50243077

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)C(C)(C)C |r|

BDBM50243078

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)C(F)(F)F |r|

BDBM50243082

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)N=[N+]=[N-] |r|

BDBM50243081

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)[N+]([O-])=O |r|

BDBM50242853

CC[C@H](C)[C@H](N)C(=O)N1Cc2cccc(C)c2C1 |r|

BDBM50242852

CC[C@H](C)[C@H](N)C(=O)N1Cc2cccc(F)c2C1 |r|

BDBM50242851

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1 |r|

BDBM514534

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|

BDBM50243083

CC[C@H](C)[C@H](N)C(=O)N1Cc2cccnc2C1 |r|

BDBM50243557

CC[C@H](C)[C@H](N)C(=O)NC1CCCC1 |r|

BDBM213827

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r|

BDBM17299

CC[C@H](C)[C@H]([NH3+])C(=O)N1CCSC1 |r|

BDBM50050527

CC[C@H](N)C(=O)N1CCC[C@H]1B(O)O

BDBM50242264

CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50101396

CCc1cc(N2CCC[C@@H](N)C2)c2n(Cc3ccccc3C#N)c(=O)n(C)c2n1 |r|

BDBM50336814

CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O

BDBM50336820

CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(O)=O

BDBM50210652

CCc1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM11158

CCc1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1ccc(F)c(F)c1 |r|

BDBM50215334

CCc1nnc2ccc(nn12)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F

BDBM50222486

CCn1c2CCN(Cc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F

BDBM50222488

CCn1c2CN(CCc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F

BDBM50332233

CCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|

BDBM11167

CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50324501

CCn1nccc1NC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-3.58,-1.22,;-2.53,-2.33,;-2.95,-3.81,;-4.4,-4.33,;-4.36,-5.87,;-2.88,-6.31,;-2.01,-5.04,;-.47,-4.99,;.26,-3.63,;-.55,-2.32,;1.8,-3.58,;2.74,-4.81,;4.19,-4.28,;5.54,-5.01,;6.85,-4.21,;8.21,-4.93,;9.52,-4.12,;6.8,-2.66,;8.11,-1.84,;5.44,-1.94,;4.14,-2.75,;2.67,-2.32,;5.51,-6.55,;4.16,-7.29,;4.13,-8.83,;5.45,-9.63,;5.42,-11.17,;6.8,-8.87,;6.83,-7.34,;8.17,-6.59,)|

BDBM50232507

CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.5|

BDBM50356591

CN(C)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(23.14,-19.79,;23.91,-21.12,;23.14,-22.45,;25.45,-21.12,;26.22,-22.45,;26.22,-19.78,;27.75,-19.78,;28.65,-21.03,;30.12,-20.55,;30.12,-19.01,;31.45,-18.24,;32.78,-19,;34.12,-18.23,;32.79,-20.55,;34.13,-21.32,;35.46,-20.55,;31.45,-21.32,;31.46,-22.86,;30.12,-23.63,;30.12,-25.17,;31.45,-25.94,;31.45,-27.48,;32.79,-25.16,;32.79,-23.62,;34.12,-22.85,;28.66,-18.54,;28.18,-17.07,)|

BDBM514539

CN(C)C(=O)C[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM50332234

CN(C)C(=O)Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r|

BDBM50442186

CN(C)C(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(43.67,-17.4,;42.13,-17.41,;41.36,-16.08,;41.37,-18.75,;39.83,-18.76,;42.15,-20.08,;43.69,-20.07,;44.59,-18.81,;46.06,-19.29,;47.39,-18.52,;48.73,-19.28,;50.06,-18.51,;48.73,-20.83,;50.07,-21.6,;51.4,-20.83,;47.4,-21.6,;47.4,-23.14,;46.06,-23.9,;46.06,-25.44,;47.39,-26.22,;47.39,-27.76,;48.73,-25.44,;48.73,-23.91,;50.06,-23.14,;46.07,-20.83,;44.6,-21.32,;44.13,-22.79,)|

BDBM50320285

CN(C)C(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50320294

CN(C)C(=O)N1C[C@H]2C[C@@](C)(C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50320293

CN(C)C(=O)N1C[C@H]2C[C@](C)(C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50320297

CN(C)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50221969

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,wD:20.24,5.4,(25.99,-21.91,;25.99,-23.45,;24.66,-24.23,;27.33,-24.22,;28.66,-23.44,;27.33,-25.76,;28.67,-26.52,;28.68,-28.06,;30,-25.75,;29.99,-24.21,;31.34,-26.51,;32.75,-25.88,;33.78,-27.02,;33.02,-28.36,;32.6,-29.84,;34.54,-28.58,;31.51,-28.04,;26,-26.53,;26.01,-28.08,;24.67,-28.85,;23.34,-28.08,;23.34,-26.54,;24.67,-25.77,;22,-28.85,;22.01,-30.39,;20.68,-31.16,;19.34,-30.39,;17.87,-30.87,;16.95,-29.62,;17.86,-28.36,;19.33,-28.84,;20.67,-28.08,)|

BDBM50221978

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,wD:5.4,20.24,(22.84,4.54,;22.85,3,;21.52,2.23,;24.19,2.24,;25.52,3.01,;24.19,.7,;25.53,-.07,;25.53,-1.61,;26.86,.71,;26.85,2.25,;28.2,-.06,;29.6,.57,;30.64,-.57,;29.87,-1.9,;29.46,-3.38,;31.4,-2.13,;28.37,-1.59,;22.86,-.08,;22.87,-1.63,;21.53,-2.4,;20.19,-1.63,;20.2,-.09,;21.53,.69,;18.86,-2.4,;17.53,-1.63,;16.2,-2.39,;16.19,-3.93,;14.86,-4.71,;17.54,-4.71,;18.86,-3.93,)|

BDBM50221970

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)|

BDBM50221968

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,wD:20.24,5.4,(22.14,-9.02,;22.15,-10.56,;20.82,-11.33,;23.49,-11.32,;24.82,-10.55,;23.49,-12.86,;24.83,-13.63,;24.83,-15.17,;26.16,-12.85,;26.15,-11.31,;27.5,-13.62,;28.9,-12.98,;29.94,-14.12,;29.17,-15.46,;28.76,-16.94,;30.7,-15.68,;27.67,-15.15,;22.16,-13.64,;22.17,-15.19,;20.83,-15.95,;19.49,-15.19,;19.5,-13.64,;20.83,-12.87,;18.16,-15.96,;16.83,-15.18,;15.5,-15.95,;15.49,-17.49,;16.84,-18.27,;17.17,-19.77,;18.7,-19.92,;19.32,-18.51,;18.16,-17.49,)|

BDBM50221976

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)|

BDBM50221974

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,20.24,wD:5.4,(.11,4.96,;.11,3.42,;-1.22,2.65,;1.45,2.66,;2.78,3.43,;1.46,1.12,;2.79,.35,;2.8,-1.19,;4.12,1.13,;4.12,2.67,;5.46,.36,;6.87,.99,;7.9,-.15,;7.14,-1.48,;6.73,-2.96,;8.66,-1.71,;5.63,-1.17,;.13,.34,;.13,-1.21,;-1.21,-1.98,;-2.54,-1.21,;-2.54,.33,;-1.21,1.11,;-3.87,-1.98,;-5.2,-1.21,;-6.54,-1.97,;-6.54,-3.51,;-7.87,-4.29,;-5.2,-4.29,;-3.87,-3.51,)|

BDBM50221981

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)|

BDBM50221975

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)|

BDBM50221979

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)|

BDBM50221980

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,19.23,wD:5.4,13.13,(-.72,5.67,;-.72,4.13,;-2.05,3.35,;.62,3.36,;1.95,4.14,;.62,1.82,;1.96,1.06,;1.97,-.48,;3.29,1.83,;3.29,3.37,;4.63,1.07,;6.04,1.7,;7.07,.56,;6.31,-.78,;6.94,-2.18,;4.8,-.46,;-.71,1.05,;-.7,-.5,;-2.04,-1.27,;-3.37,-.5,;-3.37,1.04,;-2.04,1.81,;-4.71,-1.27,;-6.04,-.5,;-7.37,-1.27,;-7.37,-2.81,;-6.03,-3.59,;-5.7,-5.09,;-4.16,-5.24,;-3.55,-3.83,;-4.7,-2.81,)|

BDBM50221967

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM50221972

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

BDBM50276598

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)C1=CN2N=CNC2C=C1 |r,c:27,32,t:24|

BDBM11212

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11211

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11151

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

BDBM11215

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11153

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

BDBM11155

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|

BDBM11154

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|

BDBM11210

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11213

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11152

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

BDBM11219

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11218

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC[C@H]1C#N)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11220

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCOCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11217

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCS(=O)(=O)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11216

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCSC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11214

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM17318

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)c1cccc(F)c1 |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-13.19,2.54,;-14.53,3.31,;-11.86,3.31,)|

BDBM17322

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-10.53,2.54,;-9.19,4.85,)|

BDBM17314

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F |r,wU:6.6,wD:13.13,5.4,(-5.19,7.16,;-3.86,7.93,;-3.86,9.47,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-14.53,.23,;-13.19,2.54,;-11.86,3.31,;-11.86,4.85,)|

BDBM17316

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-11.86,3.31,;-13.19,2.54,;-13.19,1,;-14.53,.23,;-14.53,-1.31,;-15.86,-2.08,;-14.53,-2.85,;-13.19,-2.08,;-11.86,.23,;-10.53,1,)|

BDBM17309

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NC(C)=O)cc1 |r|

BDBM17304

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 |r|

BDBM11150

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(C)c2ncnn2c1 |r|

BDBM11223

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)ccc1F |r|

BDBM11141

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

BDBM11222

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)c(F)c1 |r|

BDBM11140

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11221

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1F |r|

BDBM11148

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nc(C)nn2c1 |r|

BDBM11142

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nccn2c1 |r|

BDBM11147

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nccn2n1 |r|

BDBM11144

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

BDBM11149

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1C |r|

BDBM11143

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nncn2c1 |r|

BDBM11225

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|

BDBM11224

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C#N |r|

BDBM11226

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|

BDBM11227

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccnc1 |r|

BDBM11146

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|

BDBM11145

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|

BDBM11228

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccncc1 |r|

BDBM17306

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(C)cc1 |r|

BDBM17307

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(F)cc1 |r|

BDBM17311

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(C)=O |r|

BDBM17305

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)S(=O)(=O)c1ccc(C)cc1 |r|

BDBM50296498

CN(C)C(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|

BDBM11191

CN(C)C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11209

CN(C)NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM581077

CN(C)c1ccc2cc(ccc2c1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM514523

CN(CB(O)O)C(=O)[C@@H](N)CCC(O)=O |r|

BDBM50324525

CN(CCS(C)(=O)=O)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(2.96,-5.01,;2.15,-3.7,;.61,-3.75,;-.19,-2.43,;-1.73,-2.48,;-2.54,-1.17,;-3.23,-2.88,;-1.74,-4.02,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.91,;10.83,-3.64,;12.13,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.25,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,)|

BDBM50324504

CN(CCc1ccccn1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(7.39,-9.52,;6.58,-8.21,;5.04,-8.26,;4.23,-6.94,;2.69,-6.99,;1.89,-5.67,;.35,-5.72,;-.38,-7.08,;.44,-8.4,;1.97,-8.34,;7.3,-6.85,;6.49,-5.54,;8.85,-6.8,;9.79,-8.02,;11.23,-7.5,;12.59,-8.23,;13.89,-7.42,;15.25,-8.15,;16.56,-7.34,;13.85,-5.88,;15.15,-5.06,;12.48,-5.16,;11.19,-5.97,;9.71,-5.54,;12.55,-9.76,;11.2,-10.5,;11.17,-12.04,;12.49,-12.84,;12.58,-14.44,;13.85,-12.09,;13.87,-10.56,;15.21,-9.81,)|

BDBM50296760

CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(C)C |r|

BDBM50296759

CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(F)F |r|

BDBM50296761

CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C1CC1 |r|

BDBM50296755

CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)S(=O)(=O)C(F)(F)F |r|

BDBM50296780

CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)c1ccc(cn1)C#N |r|

BDBM50338419

CN(Cc1ccc(cc1)C#N)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.19,11.11,wD:14.14,(5.73,-15.95,;5.74,-14.42,;7.08,-13.66,;8.41,-14.43,;8.39,-15.97,;9.72,-16.75,;11.06,-15.98,;11.07,-14.43,;9.74,-13.67,;12.39,-16.75,;13.72,-17.53,;4.41,-13.65,;3.08,-14.41,;1.75,-13.64,;1.75,-12.11,;3.08,-11.33,;4.41,-12.1,;.42,-11.34,;.42,-9.8,;-.91,-12.11,;-2.25,-11.34,;-2.25,-9.79,;-3.59,-9.03,;-3.59,-7.49,;-4.92,-9.8,;-4.92,-11.34,;-3.59,-12.12,;-3.59,-13.66,)|

BDBM50338420

CN(Cc1cccc(c1)C#N)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.19,11.11,wD:14.14,(12.51,-10.37,;12.52,-8.83,;13.86,-8.07,;15.19,-8.85,;16.51,-8.08,;17.84,-8.85,;17.84,-10.4,;16.5,-11.16,;15.17,-10.39,;16.49,-12.7,;16.48,-14.24,;11.19,-8.06,;9.85,-8.83,;8.52,-8.06,;8.53,-6.52,;9.85,-5.74,;11.19,-6.52,;7.19,-5.75,;7.19,-4.21,;5.86,-6.53,;4.53,-5.76,;4.52,-4.21,;3.19,-3.44,;3.18,-1.9,;1.86,-4.22,;1.85,-5.76,;3.19,-6.53,;3.19,-8.07,)|

BDBM50324500

CN(Cc1cccnc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(4.9,-13.73,;4.13,-12.4,;2.59,-12.4,;1.82,-13.73,;.28,-13.72,;-.49,-15.05,;.28,-16.39,;1.83,-16.4,;2.59,-15.06,;4.91,-11.07,;4.14,-9.74,;6.44,-11.06,;7.34,-12.29,;8.8,-11.82,;10.13,-12.59,;11.47,-11.82,;12.8,-12.6,;14.14,-11.85,;11.46,-10.28,;12.8,-9.51,;10.13,-9.51,;8.8,-10.28,;7.34,-9.8,;10.13,-14.13,;8.79,-14.9,;8.8,-16.44,;10.13,-17.21,;10.14,-18.75,;11.45,-16.44,;11.45,-14.9,;12.8,-14.11,)|

BDBM50324505

CN(Cc1ccncc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(4.39,-7.36,;3.62,-6.02,;2.08,-6.02,;1.31,-7.35,;2.08,-8.69,;1.31,-10.03,;-.23,-10.03,;-1,-8.68,;-.23,-7.35,;4.4,-4.69,;3.63,-3.36,;5.94,-4.68,;6.84,-5.92,;8.3,-5.44,;9.63,-6.21,;10.97,-5.44,;12.31,-6.23,;12.3,-7.77,;10.97,-3.9,;12.31,-3.13,;9.64,-3.13,;8.31,-3.9,;6.84,-3.42,;9.63,-7.75,;8.3,-8.53,;8.3,-10.07,;9.63,-10.84,;9.65,-12.38,;10.96,-10.07,;10.96,-8.52,;12.3,-7.74,)|

BDBM50338465

CN([C@@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(C)=O |r,wU:8.9,wD:5.4,2.1,(48.85,-2.14,;48.85,-.6,;47.52,.18,;46.18,-.59,;44.85,.18,;44.86,1.71,;46.18,2.49,;47.52,1.72,;43.52,2.48,;43.52,4.02,;42.19,1.71,;40.86,2.48,;40.85,4.03,;39.52,4.79,;39.51,6.33,;38.19,4.02,;38.18,2.48,;39.52,1.71,;39.52,.17,;50.18,.17,;51.52,-.6,;50.19,1.71,)|

BDBM50338467

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)C(C)(C)C |r,wU:8.9,2.1,wD:5.5,(17.52,-13.31,;17.52,-11.77,;16.19,-10.99,;14.85,-11.76,;13.52,-10.99,;13.53,-9.46,;14.85,-8.68,;16.19,-9.45,;12.19,-8.69,;12.19,-7.15,;10.86,-9.46,;9.53,-8.69,;9.52,-7.14,;8.19,-6.38,;8.18,-4.84,;6.86,-7.15,;6.86,-8.69,;8.19,-9.46,;8.19,-11,;18.86,-11,;18.86,-9.46,;20.19,-11.77,;20.18,-13.31,;21.52,-11.01,;21.51,-12.54,)|

BDBM50338469

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)CCC(O)=O |r,wU:8.9,2.1,wD:5.5,(52.14,-13.08,;52.14,-11.54,;50.81,-10.77,;49.47,-11.53,;48.14,-10.77,;48.15,-9.23,;49.47,-8.45,;50.81,-9.23,;46.81,-8.46,;46.81,-6.92,;45.48,-9.23,;44.15,-8.47,;44.14,-6.92,;42.81,-6.15,;42.8,-4.61,;41.48,-6.92,;41.47,-8.47,;42.81,-9.24,;42.81,-10.78,;53.47,-10.77,;53.48,-9.23,;54.81,-11.55,;56.14,-10.78,;57.47,-11.55,;57.47,-13.09,;58.81,-10.79,)|

BDBM50338468

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)CCN |r,wU:8.9,2.1,wD:5.5,(34.63,-13.84,;34.63,-12.3,;33.3,-11.53,;31.96,-12.3,;30.63,-11.53,;30.64,-9.99,;31.96,-9.21,;33.3,-9.99,;29.31,-9.22,;29.3,-7.68,;27.97,-10,;26.64,-9.23,;26.63,-7.68,;25.3,-6.91,;25.29,-5.37,;23.97,-7.68,;23.97,-9.23,;25.3,-10,;25.3,-11.54,;35.97,-11.54,;35.97,-10,;37.3,-12.31,;38.63,-11.54,;39.97,-12.31,)|

BDBM50338474

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.5,(.68,-31.13,;.68,-29.59,;-.65,-28.81,;-1.99,-29.58,;-3.32,-28.81,;-3.31,-27.27,;-1.99,-26.49,;-.65,-27.27,;-4.64,-26.51,;-4.65,-24.97,;-5.98,-27.28,;-7.31,-26.51,;-7.32,-24.96,;-8.65,-24.2,;-8.66,-22.66,;-9.98,-24.97,;-9.98,-26.51,;-8.65,-27.28,;-8.65,-28.82,;2.02,-28.82,;2.02,-27.28,;3.35,-29.59,;4.76,-28.96,;5.08,-27.46,;5.79,-30.11,;5.02,-31.44,;3.51,-31.12,;2.37,-32.15,)|

BDBM50338473

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1c[nH]c2ccccc12 |r,wU:8.9,2.1,wD:5.4,(52.49,-23.15,;52.49,-21.61,;51.16,-20.83,;49.82,-21.6,;48.49,-20.83,;48.5,-19.29,;49.82,-18.51,;51.16,-19.29,;47.16,-18.53,;47.16,-16.99,;45.83,-19.3,;44.5,-18.53,;44.49,-16.98,;43.16,-16.22,;43.15,-14.68,;41.83,-16.99,;41.82,-18.53,;43.16,-19.3,;43.16,-20.84,;53.82,-20.84,;53.83,-19.3,;55.16,-21.61,;55.32,-23.14,;56.82,-23.46,;57.59,-22.13,;59.09,-21.82,;59.57,-20.36,;58.54,-19.22,;57.05,-19.53,;56.57,-20.98,)|

BDBM50338470

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1cccnc1 |r,wU:8.9,2.1,wD:5.5,(.25,-21.74,;.25,-20.2,;-1.08,-19.42,;-2.42,-20.19,;-3.74,-19.42,;-3.74,-17.89,;-2.41,-17.11,;-1.08,-17.88,;-5.07,-17.12,;-5.07,-15.58,;-6.4,-17.89,;-7.74,-17.12,;-7.75,-15.57,;-9.08,-14.81,;-9.09,-13.27,;-10.41,-15.58,;-10.41,-17.12,;-9.08,-17.89,;-9.08,-19.43,;1.59,-19.43,;1.59,-17.89,;2.92,-20.2,;4.24,-19.43,;5.57,-20.2,;5.58,-21.75,;4.24,-22.51,;2.91,-21.74,)|

BDBM50338475

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccn(C)n1 |r,wU:8.9,2.1,wD:5.5,(50.48,-32.21,;50.48,-30.67,;49.15,-29.9,;47.81,-30.67,;46.49,-29.9,;46.49,-28.36,;47.82,-27.58,;49.15,-28.36,;45.16,-27.59,;45.15,-26.05,;43.82,-28.37,;42.49,-27.6,;42.48,-26.05,;41.15,-25.28,;41.14,-23.74,;39.82,-26.06,;39.82,-27.6,;41.15,-28.37,;41.15,-29.91,;51.82,-29.91,;51.82,-28.37,;53.15,-30.68,;53.31,-32.21,;54.82,-32.53,;55.59,-31.2,;57.12,-31.04,;54.56,-30.05,)|

BDBM50338472

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1 |r,wU:8.9,2.1,wD:5.5,(34.24,-23.67,;34.24,-22.13,;32.91,-21.35,;31.57,-22.12,;30.25,-21.35,;30.25,-19.82,;31.58,-19.04,;32.91,-19.81,;28.92,-19.05,;28.91,-17.51,;27.58,-19.82,;26.25,-19.05,;26.24,-17.5,;24.91,-16.74,;24.9,-15.2,;23.58,-17.51,;23.58,-19.05,;24.91,-19.82,;24.91,-21.36,;35.58,-21.36,;35.58,-19.82,;36.91,-22.13,;37.07,-23.66,;38.58,-23.98,;39.35,-22.65,;38.32,-21.5,)|

BDBM50338471

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1csnn1 |r,wU:8.9,2.1,wD:5.5,(17.41,-23.01,;17.41,-21.47,;16.08,-20.69,;14.74,-21.46,;13.41,-20.69,;13.42,-19.15,;14.74,-18.37,;16.08,-19.15,;12.09,-18.39,;12.08,-16.85,;10.75,-19.16,;9.42,-18.39,;9.41,-16.84,;8.08,-16.08,;8.07,-14.54,;6.75,-16.85,;6.75,-18.39,;8.08,-19.16,;8.08,-20.7,;18.75,-20.7,;18.75,-19.16,;20.08,-21.47,;20.24,-23,;21.75,-23.32,;22.52,-21.99,;21.49,-20.84,)|

BDBM50338464

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(C)=O |r,wU:8.9,2.1,wD:5.4,(44.08,-2.89,;44.08,-1.35,;42.75,-.58,;41.41,-1.34,;40.08,-.58,;40.09,.96,;41.41,1.74,;42.75,.96,;38.76,1.73,;38.75,3.27,;37.42,.96,;36.09,1.72,;36.08,3.27,;34.75,4.04,;34.74,5.58,;33.42,3.27,;33.42,1.72,;34.75,.95,;34.75,-.59,;45.42,-.59,;46.75,-1.36,;45.42,.95,)|

BDBM50338457

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.4,(1.4,-50.59,;1.4,-49.05,;.07,-48.27,;-1.26,-49.04,;-2.59,-48.27,;-2.59,-46.73,;-1.26,-45.95,;.07,-46.73,;-3.92,-45.97,;-3.92,-44.43,;-5.25,-46.74,;-6.59,-45.97,;-6.59,-44.42,;-7.93,-43.66,;-7.93,-42.12,;-9.26,-44.43,;-9.26,-45.97,;-7.93,-46.74,;-7.93,-48.28,;2.74,-48.28,;1.96,-46.94,;3.5,-46.94,;4.07,-49.05,;5.48,-48.42,;5.8,-46.92,;6.5,-49.56,;5.74,-50.89,;4.24,-50.57,;3.09,-51.6,)|

BDBM50338449

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1F |r,wU:8.9,2.1,wD:5.4,(43.28,-22.27,;43.28,-20.73,;41.95,-19.95,;40.61,-20.72,;39.28,-19.95,;39.29,-18.42,;40.61,-17.64,;41.95,-18.41,;37.95,-17.65,;37.95,-16.11,;36.62,-18.42,;35.29,-17.65,;35.28,-16.1,;33.95,-15.34,;33.94,-13.8,;32.62,-16.11,;32.62,-17.65,;33.95,-18.42,;33.95,-19.96,;44.62,-19.96,;43.84,-18.62,;45.38,-18.62,;45.94,-20.73,;45.94,-22.26,;47.26,-23.03,;48.59,-22.27,;49.93,-23.04,;48.59,-20.72,;47.26,-19.96,;47.26,-18.42,)|

BDBM50338445

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(N)cc1 |r,wU:8.9,2.1,wD:5.4,(20.29,-13.03,;20.29,-11.49,;18.96,-10.71,;17.62,-11.48,;16.29,-10.71,;16.3,-9.18,;17.62,-8.4,;18.96,-9.17,;14.96,-8.41,;14.96,-6.87,;13.63,-9.18,;12.3,-8.41,;12.29,-6.86,;10.96,-6.1,;10.95,-4.56,;9.63,-6.87,;9.62,-8.41,;10.96,-9.18,;10.96,-10.72,;21.62,-10.72,;20.84,-9.38,;22.38,-9.38,;22.95,-11.49,;22.95,-13.02,;24.27,-13.79,;25.6,-13.03,;26.94,-13.8,;25.6,-11.48,;24.27,-10.72,)|

BDBM50338446

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r,wU:8.9,2.1,wD:5.4,(39.99,-12.62,;40,-11.08,;38.67,-10.31,;37.33,-11.07,;36,-10.31,;36.01,-8.77,;37.33,-7.99,;38.67,-8.77,;34.67,-8,;34.67,-6.46,;33.34,-8.77,;32,-8.01,;32,-6.46,;30.66,-5.69,;30.66,-4.15,;29.34,-6.46,;29.33,-8.01,;30.67,-8.78,;30.67,-10.32,;41.33,-10.32,;40.55,-8.98,;42.09,-8.98,;42.66,-11.08,;42.65,-12.62,;43.98,-13.39,;45.31,-12.62,;46.65,-13.39,;47.98,-12.62,;49.31,-13.39,;47.98,-11.08,;49.3,-11.84,;45.31,-11.08,;43.98,-10.32,)|

BDBM50338450

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)-c1cnco1 |r,wU:8.9,2.1,wD:5.4,(.18,-28.73,;.18,-27.19,;-1.15,-26.42,;-2.49,-27.18,;-3.81,-26.41,;-3.81,-24.88,;-2.48,-24.1,;-1.15,-24.88,;-5.14,-24.11,;-5.14,-22.57,;-6.47,-24.88,;-7.81,-24.11,;-7.82,-22.56,;-9.15,-21.8,;-9.16,-20.26,;-10.48,-22.57,;-10.48,-24.12,;-9.15,-24.89,;-9.15,-26.43,;1.52,-26.42,;.42,-25.32,;2.28,-25.08,;2.85,-27.2,;2.84,-28.73,;4.17,-29.51,;5.51,-28.74,;5.5,-27.19,;4.17,-26.42,;6.84,-29.51,;7,-31.04,;8.51,-31.36,;9.28,-30.03,;8.25,-28.88,)|

BDBM50338451

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)-c1csnn1 |r,wU:8.9,2.1,wD:5.4,(37.01,-20.6,;37.01,-19.06,;35.68,-18.29,;34.34,-19.05,;33.01,-18.29,;33.02,-16.75,;34.34,-15.97,;35.68,-16.75,;31.69,-15.98,;31.68,-14.44,;30.35,-16.75,;29.02,-15.99,;29.01,-14.44,;27.68,-13.67,;27.67,-12.13,;26.35,-14.44,;26.35,-15.99,;27.68,-16.76,;27.68,-18.3,;38.35,-18.3,;37.25,-17.2,;39.11,-16.96,;39.68,-19.07,;39.67,-20.61,;41,-21.38,;42.33,-20.61,;42.33,-19.06,;41,-18.3,;43.67,-21.38,;43.83,-22.91,;45.33,-23.23,;46.1,-21.9,;45.07,-20.75,)|

BDBM50338444

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)C#N |r,wU:8.9,2.1,wD:5.4,(.58,-11.88,;.58,-10.34,;-.75,-9.56,;-2.09,-10.33,;-3.42,-9.56,;-3.41,-8.02,;-2.09,-7.24,;-.75,-8.02,;-4.75,-7.26,;-4.75,-5.72,;-6.08,-8.03,;-7.41,-7.26,;-7.42,-5.71,;-8.75,-4.95,;-8.76,-3.41,;-10.08,-5.72,;-10.08,-7.26,;-8.75,-8.03,;-8.75,-9.57,;1.92,-9.57,;1.14,-8.23,;2.68,-8.23,;3.24,-10.34,;3.24,-11.87,;4.56,-12.64,;5.89,-11.88,;5.89,-10.33,;4.56,-9.57,;7.23,-12.64,;8.56,-13.41,)|

BDBM50338448

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)C(N)=O |r,wU:8.9,2.1,wD:5.4,(21.75,-22.38,;21.75,-20.84,;20.42,-20.07,;19.08,-20.84,;17.75,-20.07,;17.76,-18.53,;19.08,-17.75,;20.42,-18.53,;16.43,-17.76,;16.42,-16.22,;15.09,-18.54,;13.76,-17.77,;13.75,-16.22,;12.42,-15.45,;12.41,-13.91,;11.09,-16.22,;11.09,-17.77,;12.42,-18.54,;12.42,-20.08,;23.09,-20.08,;22.31,-18.74,;23.85,-18.74,;24.41,-20.84,;24.41,-22.38,;25.73,-23.15,;27.07,-22.38,;27.06,-20.84,;25.73,-20.08,;28.4,-23.15,;29.73,-22.38,;28.4,-24.69,)|

BDBM50338443

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C#N |r,wU:8.9,2.1,wD:5.4,(52,-2.08,;52.01,-.54,;50.67,.23,;49.34,-.54,;48.01,.23,;48.02,1.77,;49.34,2.55,;50.68,1.77,;46.68,2.54,;46.68,4.08,;45.35,1.76,;44.01,2.53,;44.01,4.08,;42.67,4.85,;42.67,6.39,;41.34,4.08,;41.34,2.53,;42.68,1.76,;42.68,.22,;53.34,.22,;52.56,1.56,;54.1,1.56,;54.67,-.54,;54.66,-2.08,;55.99,-2.85,;57.32,-2.08,;57.32,-.54,;55.99,.22,;58.64,.23,;59.98,1,)|

BDBM50338447

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C(N)=O |r,wU:8.9,2.1,wD:5.4,(-.09,-22.06,;-.09,-20.52,;-1.42,-19.75,;-2.76,-20.52,;-4.09,-19.75,;-4.08,-18.21,;-2.76,-17.43,;-1.42,-18.21,;-5.41,-17.44,;-5.42,-15.9,;-6.75,-18.22,;-8.08,-17.45,;-8.09,-15.9,;-9.42,-15.13,;-9.43,-13.59,;-10.75,-15.91,;-10.75,-17.45,;-9.42,-18.22,;-9.42,-19.76,;1.25,-19.76,;.47,-18.42,;2.01,-18.42,;2.57,-20.53,;2.57,-22.06,;3.89,-22.83,;5.23,-22.06,;5.22,-20.52,;3.89,-19.76,;6.55,-19.75,;7.89,-20.52,;6.55,-18.21,)|

BDBM50338441

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccccc1 |r,wU:8.9,2.1,wD:5.5,(17.38,-2.57,;17.38,-1.03,;16.05,-.25,;14.71,-1.02,;13.38,-.25,;13.39,1.29,;14.71,2.07,;16.05,1.29,;12.05,2.05,;12.05,3.59,;10.72,1.28,;9.39,2.05,;9.38,3.6,;8.05,4.36,;8.04,5.9,;6.72,3.59,;6.72,2.05,;8.05,1.28,;8.05,-.26,;18.72,-.26,;17.94,1.08,;19.48,1.08,;20.04,-1.03,;20.04,-2.56,;21.36,-3.33,;22.69,-2.57,;22.69,-1.02,;21.36,-.26,)|

BDBM50338442

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccccc1C(F)(F)F |r,wU:8.9,2.1,wD:5.4,(33.93,-2.3,;33.93,-.76,;32.6,.01,;31.26,-.75,;29.93,.01,;29.94,1.55,;31.26,2.33,;32.6,1.55,;28.61,2.32,;28.6,3.86,;27.27,1.55,;25.94,2.31,;25.93,3.86,;24.6,4.63,;24.59,6.17,;23.27,3.86,;23.27,2.31,;24.6,1.54,;24.6,0,;35.27,.01,;34.49,1.35,;36.03,1.35,;36.59,-.76,;36.59,-2.3,;37.91,-3.07,;39.25,-2.3,;39.24,-.76,;37.91,0,;37.91,1.54,;39.24,2.32,;36.58,2.31,;37.9,3.09,)|

BDBM50338456

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccnc1 |r,wU:8.9,2.1,wD:5.5,(.5,-42.99,;.5,-41.45,;-.83,-40.68,;-2.17,-41.45,;-3.49,-40.68,;-3.49,-39.14,;-2.16,-38.36,;-.83,-39.14,;-4.82,-38.37,;-4.83,-36.83,;-6.16,-39.15,;-7.49,-38.38,;-7.5,-36.83,;-8.83,-36.06,;-8.84,-34.52,;-10.16,-36.84,;-10.16,-38.38,;-8.83,-39.15,;-8.83,-40.69,;1.84,-40.69,;1.06,-39.35,;2.6,-39.35,;3.17,-41.46,;4.49,-40.69,;5.81,-41.45,;5.82,-42.99,;4.49,-43.76,;3.16,-42.99,)|

BDBM50338453

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cn(C)cn1 |r,wU:8.9,2.1,wD:5.5,(17.5,-32.78,;17.5,-31.24,;16.17,-30.47,;14.84,-31.23,;13.51,-30.47,;13.51,-28.93,;14.84,-28.15,;16.17,-28.93,;12.18,-28.16,;12.18,-26.62,;10.85,-28.93,;9.51,-28.17,;9.51,-26.62,;8.17,-25.85,;8.17,-24.31,;6.84,-26.62,;6.84,-28.17,;8.17,-28.94,;8.17,-30.48,;18.84,-30.48,;18.06,-29.14,;19.6,-29.14,;20.17,-31.24,;20.34,-32.77,;21.84,-33.09,;22.46,-34.5,;22.6,-31.76,;21.58,-30.62,)|

BDBM50338452

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cn[nH]c1C |r,wU:8.9,2.1,wD:5.5,(.53,-31.97,;.53,-30.43,;-.8,-29.66,;-2.14,-30.43,;-3.46,-29.66,;-3.46,-28.12,;-2.13,-27.34,;-.8,-28.12,;-4.79,-27.35,;-4.79,-25.81,;-6.12,-28.13,;-7.46,-27.36,;-7.47,-25.81,;-8.8,-25.04,;-8.81,-23.5,;-10.13,-25.81,;-10.13,-27.36,;-8.8,-28.13,;-8.8,-29.67,;1.87,-29.67,;1.09,-28.33,;2.63,-28.33,;3.2,-30.43,;4.61,-29.81,;5.63,-30.95,;4.86,-32.28,;3.36,-31.96,;2.22,-32.99,)|

BDBM50338454

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cnoc1C |r,wU:8.9,2.1,wD:5.5,(34.53,-33.65,;34.53,-32.11,;33.2,-31.34,;31.86,-32.11,;30.53,-31.34,;30.54,-29.8,;31.86,-29.02,;33.2,-29.8,;29.2,-29.03,;29.2,-27.49,;27.87,-29.81,;26.54,-29.04,;26.53,-27.49,;25.2,-26.72,;25.19,-25.18,;23.87,-27.49,;23.87,-29.04,;25.2,-29.81,;25.2,-31.35,;35.87,-31.35,;35.09,-30.01,;36.63,-30.01,;37.19,-32.11,;38.6,-31.49,;39.63,-32.63,;38.86,-33.96,;37.36,-33.64,;36.22,-34.67,)|

BDBM50338455

CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1sc(NC(C)=O)nc1C |r,wU:8.9,2.1,wD:5.4,(51.57,-31.88,;51.57,-30.34,;50.24,-29.57,;48.9,-30.33,;47.57,-29.56,;47.58,-28.03,;48.9,-27.25,;50.24,-28.03,;46.25,-27.26,;46.24,-25.72,;44.91,-28.03,;43.58,-27.26,;43.57,-25.71,;42.24,-24.95,;42.23,-23.41,;40.91,-25.72,;40.91,-27.27,;42.24,-28.04,;42.24,-29.58,;52.91,-29.57,;52.13,-28.23,;53.67,-28.23,;54.23,-30.34,;54.4,-31.87,;55.9,-32.19,;56.53,-33.59,;55.62,-34.84,;54.09,-34.68,;56.25,-36.25,;56.67,-30.86,;55.64,-29.72,;55.97,-28.21,)|

BDBM581114

CN1C(=O)CCc2cc(ccc12)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM60417

CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c1c2=O |r|

BDBM162376

CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C(F)(F)F)c1c2=O |r|

BDBM162378

CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3F)c1c2=O |r|

BDBM162377

CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c1c2=O |r|

BDBM13792

CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O

BDBM50356586

CN1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-10,-42.49,;-8.46,-42.49,;-7.69,-41.16,;-6.16,-41.16,;-5.39,-42.49,;-6.15,-43.83,;-7.69,-43.83,;-3.85,-42.49,;-3.08,-43.82,;-3.08,-41.16,;-1.55,-41.15,;-.64,-42.4,;.82,-41.93,;.82,-40.39,;2.15,-39.61,;3.49,-40.38,;4.82,-39.6,;3.49,-41.93,;4.83,-42.69,;6.16,-41.92,;2.15,-42.7,;2.16,-44.23,;.82,-45,;.82,-46.54,;2.15,-47.31,;2.16,-48.85,;3.49,-46.53,;3.49,-45,;4.82,-44.22,;-.64,-39.91,;-1.11,-38.44,)|

BDBM581094

CN1CCN(Cc2ccc(cc2)-c2ccc3nccc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)c3c2)CC1 |r|

BDBM581115

CN1CCc2cc(ccc2C1=O)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50356592

CNC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(7.18,-19.79,;7.95,-21.12,;9.49,-21.12,;10.26,-22.45,;10.26,-19.78,;11.79,-19.78,;12.69,-21.03,;14.16,-20.55,;14.16,-19.01,;15.49,-18.24,;16.82,-19,;18.16,-18.23,;16.83,-20.55,;18.17,-21.32,;19.5,-20.55,;15.49,-21.32,;15.5,-22.86,;14.16,-23.63,;14.16,-25.17,;15.49,-25.94,;15.49,-27.48,;16.83,-25.16,;16.83,-23.62,;18.16,-22.85,;12.7,-18.54,;12.22,-17.07,)|

BDBM50442187

CNC(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(25.56,-15,;24.02,-15.01,;23.25,-16.35,;21.71,-16.35,;24.03,-17.68,;25.57,-17.67,;26.48,-16.41,;27.95,-16.88,;29.28,-16.11,;30.61,-16.88,;31.95,-16.1,;30.62,-18.43,;31.96,-19.2,;33.29,-18.42,;29.29,-19.2,;29.28,-20.74,;27.95,-21.5,;27.94,-23.04,;29.27,-23.81,;29.27,-25.35,;30.61,-23.04,;30.61,-21.5,;31.94,-20.73,;27.96,-18.43,;26.49,-18.92,;26.02,-20.38,)|

BDBM11196

CNC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM581104

CNC(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM581120

CNC(=O)c1ccc(cc1F)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM581106

CNC(=O)c1cccc(c1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50102851

CN[C@@H]1CCCN(C1)c1ccnc2n(C)c(=O)n(Cc3ccccc3C#N)c12 |r|

BDBM50338437

COC(=O)C1CCCC(C1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50356580

COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(20.42,.86,;21.19,2.2,;20.42,3.53,;18.88,3.53,;21.19,4.87,;22.72,4.87,;23.62,3.62,;25.09,4.09,;25.09,5.63,;26.42,6.41,;27.75,5.65,;29.08,6.42,;27.76,4.1,;29.09,3.33,;30.43,4.1,;26.42,3.32,;26.42,1.79,;25.09,1.02,;25.09,-.52,;26.42,-1.29,;26.42,-2.83,;27.76,-.51,;27.75,1.02,;29.08,1.8,;23.63,6.11,;23.15,7.59,)|

BDBM50153381

COC(=O)Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)CC([NH3+])Cc2ccccc2F)cc1

BDBM50320290

COC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50302107

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|

BDBM11194

COC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM581084

COC(=O)\C=C\c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50530008

COC(=O)c1c(F)cccc1Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(CC#CC)c1=O |r|

BDBM50516923

COC(=O)c1c(F)cccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50577970

COC(=O)c1cc(Br)cc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)c1 |r|

BDBM50516912

COC(=O)c1cc(Br)ccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50516929

COC(=O)c1cc(Cl)ccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50577969

COC(=O)c1cc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)ccc1Br |r|

BDBM50577972

COC(=O)c1cc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)ccc1Cl |r|

BDBM50577966

COC(=O)c1cc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)ccc1F |r|

BDBM50577971

COC(=O)c1ccc(Br)c(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)c1 |r|

BDBM50530017

COC(=O)c1ccc(Br)cc1Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(CC#CC)c1=O |r|

BDBM50516917

COC(=O)c1ccc(Cl)cc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50577967

COC(=O)c1ccc(F)c(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)c1 |r|

BDBM50516924

COC(=O)c1cccc(Cl)c1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50577968

COC(=O)c1cccc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)c1Br |r|

BDBM50577965

COC(=O)c1cccc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)c1F |r|

BDBM50516928

COC(=O)c1ccccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50323183

COC(=O)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(16.94,4.65,;18.48,4.66,;19.26,3.33,;18.5,1.99,;20.8,3.34,;21.7,4.59,;23.17,4.13,;24.5,4.9,;25.84,4.13,;27.17,4.91,;25.84,2.6,;27.18,1.83,;28.51,2.6,;24.51,1.82,;24.52,.29,;23.19,-.48,;23.19,-2.03,;24.52,-2.8,;24.52,-4.34,;25.86,-2.03,;25.85,-.48,;27.19,.3,;23.18,2.58,;21.71,2.1,)|

BDBM622191

COC1(C)CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM622048

COC1CCN(CC1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM50187275

COCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N

BDBM50323187

COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(17.71,-13.96,;19.25,-13.95,;20.01,-12.61,;21.55,-12.6,;22.31,-11.26,;21.53,-9.93,;23.85,-11.25,;24.75,-10,;26.22,-10.46,;27.56,-9.69,;28.9,-10.46,;30.23,-9.68,;28.9,-12,;30.24,-12.76,;31.57,-11.99,;27.57,-12.77,;27.58,-14.3,;26.25,-15.07,;26.25,-16.62,;27.58,-17.39,;27.58,-18.93,;28.92,-16.62,;28.91,-15.07,;30.24,-14.29,;26.23,-12.01,;24.77,-12.49,)|

BDBM50356577

COCCN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(38.51,-10.89,;39.27,-9.55,;38.5,-8.22,;39.27,-6.89,;40.8,-6.88,;41.71,-8.13,;43.17,-7.66,;43.17,-6.12,;44.5,-5.34,;45.84,-6.11,;47.17,-5.33,;45.84,-7.66,;47.18,-8.42,;48.51,-7.65,;44.5,-8.43,;44.51,-9.96,;43.17,-10.73,;43.17,-12.27,;44.5,-13.04,;44.51,-14.58,;45.84,-12.27,;45.84,-10.73,;47.17,-9.96,;41.71,-5.64,;41.24,-4.18,)|

BDBM581097

COCCOc1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM581098

COCCOc1ccc(cn1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM97583

COCCc1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1[C@@H](O)C(F)(F)CCC1=O |r|

BDBM50442201

COCCn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(8.78,-4.52,;9.56,-5.85,;11.1,-5.84,;11.87,-7.17,;13.41,-7.16,;14.32,-5.91,;15.79,-6.38,;17.12,-5.61,;18.45,-6.37,;19.79,-5.6,;18.46,-7.92,;19.8,-8.69,;21.13,-7.92,;17.13,-8.7,;17.12,-10.24,;15.79,-11,;15.78,-12.53,;17.11,-13.31,;17.11,-14.85,;18.45,-12.54,;18.45,-11,;19.79,-10.23,;15.8,-7.93,;14.33,-8.41,;13.86,-9.88,)|

BDBM50442200

COC[C@H](C)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |r,wU:3.3,(49.23,-29.16,;50.01,-30.49,;51.55,-30.48,;52.33,-31.81,;51.56,-33.15,;53.87,-31.8,;54.77,-30.54,;56.25,-31.01,;57.57,-30.25,;58.91,-31.01,;60.24,-30.24,;58.91,-32.56,;60.25,-33.33,;61.58,-32.55,;57.58,-33.33,;57.58,-34.87,;56.24,-35.63,;56.24,-37.17,;57.57,-37.95,;57.57,-39.49,;58.91,-37.17,;58.91,-35.64,;60.24,-34.86,;56.25,-32.56,;54.78,-33.05,;54.31,-34.52,)|

BDBM50324522

COC[C@H]1CCCN1C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |r,wD:3.2,(-4.08,-5.1,;-3.17,-6.34,;-3.8,-7.75,;-2.89,-8.99,;-3.37,-10.45,;-2.12,-11.36,;-.88,-10.45,;-1.34,-8.99,;-.62,-7.63,;-1.43,-6.32,;.92,-7.58,;1.86,-8.8,;3.31,-8.28,;4.66,-9.01,;5.97,-8.21,;7.33,-8.93,;8.63,-8.12,;5.92,-6.66,;7.23,-5.84,;4.56,-5.94,;3.26,-6.75,;1.79,-6.32,;4.63,-10.54,;3.28,-11.28,;3.25,-12.82,;4.57,-13.62,;4.54,-15.16,;5.92,-12.87,;5.94,-11.34,;7.29,-10.59,)|

BDBM11208

CON(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM50320295

CO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50320300

CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50320299

CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM11180

COc1cc(=O)n(C)cc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50102848

COc1cc(N2CCC[C@@H](N)C2)c2n(Cc3ccccc3C#N)c(=O)n(C)c2n1 |r|

BDBM50221973

COc1cc(nc(OC)n1)[C@@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,10.10,17.19,wD:16.30,(-5.4,-36.48,;-6.73,-35.72,;-6.74,-34.18,;-5.41,-33.4,;-5.41,-31.87,;-6.74,-31.1,;-8.08,-31.86,;-9.41,-31.09,;-9.41,-29.55,;-8.08,-33.4,;-4.08,-31.1,;-2.75,-31.87,;-1.41,-31.1,;-1.41,-29.55,;-2.75,-28.78,;-4.08,-29.56,;-.08,-28.77,;1.25,-29.54,;1.26,-31.08,;2.58,-28.76,;2.58,-27.22,;3.92,-29.53,;5.33,-28.9,;6.36,-30.04,;5.6,-31.37,;5.19,-32.85,;7.12,-31.6,;4.09,-31.06,;-.09,-27.23,;1.24,-26.46,;-1.43,-26.47,;-1.43,-24.93,;-2.76,-27.24,)|

BDBM50221983

COc1cc(nc(OC)n1)[C@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,17.19,wD:10.10,16.30,(18.37,-36.19,;17.04,-35.42,;17.03,-33.88,;18.36,-33.11,;18.35,-31.57,;17.02,-30.8,;15.69,-31.57,;14.36,-30.8,;14.36,-29.26,;15.69,-33.11,;19.69,-30.8,;21.02,-31.57,;22.36,-30.8,;22.35,-29.25,;21.02,-28.49,;19.69,-29.26,;23.69,-28.48,;25.02,-29.24,;25.03,-30.78,;26.35,-28.47,;26.35,-26.93,;27.69,-29.23,;29.1,-28.6,;30.13,-29.74,;29.37,-31.08,;28.96,-32.56,;30.89,-31.3,;27.86,-30.76,;23.68,-26.94,;25.01,-26.16,;22.34,-26.17,;22.34,-24.63,;21.01,-26.95,)|

BDBM50530011

COc1ccc(C(O)=O)c(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)c1 |r|

BDBM50516926

COc1ccc(C(O)=O)c(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)c1 |r|

BDBM50232503

COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |w:7.6|

BDBM50443738

COc1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|

BDBM50443754

COc1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 |r|

BDBM50439574

COc1ccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1 |r|

BDBM50439571

COc1ccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1OC |r|

BDBM50201584

COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC

BDBM50323177

COc1ccc(cc1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-11.12,-26.33,;-10.34,-27.66,;-8.8,-27.64,;-8.04,-26.3,;-6.5,-26.29,;-5.73,-27.62,;-6.48,-28.96,;-8.01,-28.98,;-4.19,-27.61,;-3.29,-26.36,;-1.81,-26.83,;-.48,-26.05,;.86,-26.82,;2.19,-26.05,;.86,-28.36,;2.2,-29.13,;3.53,-28.35,;-.47,-29.13,;-.46,-30.67,;-1.79,-31.44,;-1.79,-32.98,;-.46,-33.75,;-.46,-35.29,;.88,-32.98,;.87,-31.43,;2.2,-30.65,;-1.8,-28.37,;-3.27,-28.86,)|

BDBM11507

COc1ccc(cc1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM581092

COc1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50323167

COc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(9.11,-30.79,;9.9,-32.12,;11.43,-32.11,;12.2,-30.77,;13.74,-30.76,;14.51,-32.09,;13.76,-33.43,;12.22,-33.44,;16.05,-32.08,;16.97,-33.32,;18.43,-32.84,;19.77,-33.6,;21.1,-32.82,;22.43,-33.59,;23.77,-32.82,;21.1,-31.29,;22.43,-30.51,;19.76,-30.52,;18.42,-31.29,;16.95,-30.83,;19.78,-35.13,;18.45,-35.9,;18.44,-37.45,;19.78,-38.22,;19.78,-39.76,;21.12,-37.45,;21.11,-35.9,;22.44,-35.12,)|

BDBM50009356

COc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50442181

COc1ccc(cc1)-n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(14.54,-2.86,;15.32,-4.18,;16.86,-4.18,;17.62,-2.84,;19.16,-2.83,;19.93,-4.16,;19.18,-5.5,;17.64,-5.51,;21.47,-4.15,;22.38,-2.89,;23.85,-3.36,;25.18,-2.6,;26.52,-3.36,;27.85,-2.59,;26.52,-4.91,;27.86,-5.68,;29.19,-4.9,;25.19,-5.68,;25.18,-7.22,;23.85,-7.98,;23.84,-9.52,;25.17,-10.3,;25.17,-11.84,;26.51,-9.52,;26.51,-7.99,;27.85,-7.22,;23.86,-4.91,;22.39,-5.4,;21.92,-6.87,)|

BDBM17321

COc1ccc(cc1)C(=O)N(C)C1CCC(CC1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r,wU:20.22,wD:27.29,18.20,(-14.53,-1.31,;-14.53,.23,;-13.19,1,;-13.19,2.54,;-11.86,3.31,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-9.19,3.31,;-9.19,4.85,;-7.86,2.54,;-7.86,1,;-6.53,3.31,;-6.53,4.85,;-5.19,5.62,;-3.86,4.85,;-3.86,3.31,;-5.19,2.54,;-2.52,5.62,;-2.52,7.16,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|

BDBM17320

COc1ccc(cc1)C(=O)NC1CCC(CC1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r,wU:19.21,wD:26.28,17.19,(-14.53,-1.31,;-14.53,.23,;-13.19,1,;-13.19,2.54,;-11.86,3.31,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-9.19,3.31,;-9.19,4.85,;-7.86,2.54,;-6.53,3.31,;-6.53,4.85,;-5.19,5.62,;-3.86,4.85,;-3.86,3.31,;-5.19,2.54,;-2.52,5.62,;-2.52,7.16,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|

BDBM50356602

COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(30.85,3.93,;31.62,2.59,;33.16,2.59,;33.93,3.93,;35.47,3.92,;36.24,2.59,;35.47,1.26,;33.93,1.25,;37.77,2.59,;38.67,1.34,;40.14,1.82,;40.14,3.35,;41.47,4.13,;42.8,3.37,;44.13,4.14,;42.81,1.82,;44.14,1.05,;45.48,1.82,;41.47,1.04,;41.47,-.49,;40.14,-1.26,;40.14,-2.8,;41.47,-3.57,;41.47,-5.11,;42.81,-2.79,;42.8,-1.26,;44.13,-.48,;38.68,3.83,;38.2,5.3,)|

BDBM11483

COc1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50009340

COc1ccc(cc1OC)-c1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50378097

COc1ccc(cc1OC)N1CCN(CCNCC(=O)N2CCCC2C#N)C1=O

BDBM50221073

COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F

BDBM581095

COc1ccc(cn1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50198855

COc1ccc2N(CCc2c1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1

BDBM50296506

COc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|

BDBM50440461

COc1ccc2nc(Cn3c(=O)cc(N4CCC[C@@H](N)C4)n(CC#CC)c3=O)ccc2c1 |r|

BDBM50009331

COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50434165

COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

BDBM50516914

COc1cccc(C(O)=O)c1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50439575

COc1cccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)c1 |r|

BDBM50323166

COc1cccc(c1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-10.78,-33.21,;-9.24,-33.19,;-8.48,-31.85,;-9.27,-30.51,;-8.51,-29.17,;-6.97,-29.16,;-6.19,-30.5,;-6.95,-31.83,;-4.65,-30.49,;-3.74,-31.73,;-2.27,-31.24,;-.94,-32,;.4,-31.23,;1.73,-32,;3.06,-31.22,;.39,-29.69,;1.72,-28.92,;-.95,-28.92,;-2.28,-29.7,;-3.75,-29.23,;-.93,-33.54,;-2.26,-34.31,;-2.26,-35.85,;-.93,-36.62,;-.93,-38.16,;.41,-35.85,;.41,-34.3,;1.74,-33.53,)|

BDBM50401514

COc1cccc(c1)-c1csc(n1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|

BDBM50356601

COc1cccc(c1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(49.38,.26,;50.92,.26,;51.69,1.6,;50.91,2.94,;51.69,4.27,;53.23,4.27,;53.99,2.93,;53.23,1.6,;55.53,2.93,;56.43,1.68,;57.89,2.16,;57.9,3.7,;59.22,4.47,;60.56,3.71,;61.89,4.48,;60.56,2.16,;61.9,1.39,;63.23,2.16,;59.23,1.39,;59.23,-.15,;57.89,-.92,;57.89,-2.46,;59.23,-3.23,;59.23,-4.77,;60.57,-2.45,;60.56,-.91,;61.89,-.14,;56.43,4.17,;55.96,5.64,)|

BDBM50390171

COc1cccc2cc(oc12)C(=O)N1CCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM11495

COc1ccccc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50328795

COc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1

BDBM50328792

COc1ccccc1-c1cn2c(-c3ccc(Cl)c(Cl)c3)c(CN)c(C)nc2n1

BDBM50328794

COc1ccccc1-c1cn2c(-c3ccc(Cl)c(F)c3)c(CN)c(C)nc2n1

BDBM50328797

COc1ccccc1-c1cn2c(-c3ccc(Cl)c(c3)C(F)(F)F)c(CN)c(C)nc2n1

BDBM50328788

COc1ccccc1-c1cn2c(-c3ccc(Cl)cc3)c(CN)c(C)nc2n1

BDBM50328796

COc1ccccc1-c1cn2c(-c3ccc(c(F)c3)C(F)(F)F)c(CN)c(C)nc2n1

BDBM50328790

COc1ccccc1-c1cn2c(-c3cccc(Cl)c3)c(CN)c(C)nc2n1

BDBM50328793

COc1ccccc1-c1cn2c(-c3cccc(F)c3)c(CN)c(C)nc2n1

BDBM50328789

COc1ccccc1-c1cn2c(-c3ccccc3)c(CN)c(C)nc2n1

BDBM50328798

COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(C)cc(C)cc1C |(-7.53,-39.02,;-6.76,-40.35,;-7.53,-41.68,;-9.07,-41.68,;-9.85,-43.02,;-9.07,-44.35,;-7.53,-44.35,;-6.77,-43.02,;-5.23,-43.02,;-4.33,-44.27,;-2.87,-43.79,;-1.53,-44.56,;-.2,-43.79,;1.14,-44.56,;2.47,-43.79,;-.2,-42.24,;1.13,-41.47,;-1.54,-41.48,;-2.86,-42.25,;-4.33,-41.78,;-1.53,-46.1,;-.2,-46.86,;1.13,-46.09,;-.19,-48.4,;-1.53,-49.18,;-1.53,-50.72,;-2.87,-48.41,;-2.87,-46.87,;-4.2,-46.1,)|

BDBM50328800

COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cc(Cl)cc1Cl |(24.28,-40,;25.05,-41.33,;24.28,-42.66,;22.74,-42.66,;21.96,-44,;22.74,-45.33,;24.28,-45.33,;25.04,-44,;26.58,-44,;27.48,-45.25,;28.94,-44.77,;30.28,-45.54,;31.62,-44.77,;32.95,-45.54,;34.28,-44.77,;31.61,-43.22,;32.94,-42.45,;30.28,-42.46,;28.95,-43.23,;27.48,-42.76,;30.28,-47.08,;28.94,-47.85,;27.61,-47.08,;28.94,-49.39,;30.28,-50.16,;30.28,-51.7,;31.62,-49.38,;31.61,-47.84,;32.94,-47.07,)|

BDBM50328791

COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cccc1Cl |(26.4,-3.77,;27.16,-5.11,;26.39,-6.44,;24.85,-6.43,;24.08,-7.77,;24.86,-9.11,;26.39,-9.1,;27.16,-7.78,;28.69,-7.77,;29.6,-9.02,;31.06,-8.55,;32.39,-9.32,;33.73,-8.55,;35.07,-9.31,;36.4,-8.54,;33.73,-6.99,;35.06,-6.22,;32.39,-6.23,;31.06,-7.01,;29.6,-6.53,;32.4,-10.85,;33.73,-11.62,;35.06,-10.85,;33.73,-13.16,;32.39,-13.93,;31.06,-13.16,;31.06,-11.62,;29.73,-10.85,)|

BDBM50328799

COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(F)cc(C)cc1F |(9.54,-40.41,;10.31,-41.75,;9.54,-43.08,;8,-43.07,;7.23,-44.41,;8,-45.75,;9.54,-45.74,;10.3,-44.41,;11.84,-44.41,;12.74,-45.66,;14.21,-45.19,;15.54,-45.96,;16.88,-45.18,;18.21,-45.95,;19.54,-45.18,;16.87,-43.63,;18.2,-42.86,;15.54,-42.87,;14.21,-43.65,;12.74,-43.17,;15.54,-47.49,;14.21,-48.26,;12.87,-47.49,;14.2,-49.8,;15.54,-50.57,;15.54,-52.11,;16.88,-49.79,;16.87,-48.26,;18.2,-47.48,)|

BDBM50323168

COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)|

BDBM50328787

COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccccc1Cl |(25.85,7.56,;26.62,6.22,;25.85,4.89,;24.31,4.89,;23.54,3.56,;24.31,2.22,;25.85,2.22,;26.61,3.55,;28.15,3.55,;29.05,2.31,;30.52,2.78,;31.85,2.01,;33.19,2.78,;34.52,2.01,;35.85,2.79,;33.18,4.33,;34.51,5.11,;31.85,5.1,;30.52,4.32,;29.05,4.8,;31.85,.47,;30.52,-.3,;30.51,-1.83,;31.85,-2.61,;33.19,-1.83,;33.18,-.29,;34.51,.48,)|

BDBM50442180

COc1ccccc1-n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(35.12,-2,;35.89,-3.33,;35.13,-4.67,;33.59,-4.67,;32.82,-6.01,;33.61,-7.34,;35.15,-7.33,;35.9,-5.99,;37.44,-5.99,;38.34,-4.73,;39.82,-5.2,;41.15,-4.43,;42.48,-5.2,;43.81,-4.42,;42.49,-6.75,;43.82,-7.51,;45.16,-6.74,;41.16,-7.52,;41.15,-9.06,;39.82,-9.82,;39.81,-11.36,;41.14,-12.13,;41.14,-13.67,;42.48,-11.36,;42.48,-9.82,;43.81,-9.05,;39.83,-6.75,;38.36,-7.23,;37.89,-8.7,)|

BDBM50439576

COc1ccccc1Cn1cc(nn1)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|

BDBM50356573

COc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-5.92,-13.99,;-5.15,-12.66,;-5.92,-11.33,;-7.46,-11.33,;-8.24,-9.99,;-7.46,-8.66,;-5.92,-8.66,;-5.16,-10,;-3.62,-10,;-2.72,-11.24,;-1.26,-10.77,;-1.25,-9.23,;.07,-8.45,;1.41,-9.22,;2.74,-8.44,;1.41,-10.77,;2.75,-11.54,;4.08,-10.76,;.08,-11.54,;.08,-13.08,;-1.26,-13.84,;-1.26,-15.38,;.08,-16.15,;.08,-17.69,;1.42,-15.38,;1.41,-13.84,;2.74,-13.07,;-2.72,-8.75,;-3.19,-7.29,)|

BDBM50338435

COc1ncc(cn1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50338463

CS(=O)(=O)N(CCCC(F)(F)F)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:18.19,12.11,wD:15.14,(31.86,.28,;30.53,1.05,;29.75,2.39,;31.29,2.39,;29.19,.28,;29.19,-1.26,;30.52,-2.03,;30.52,-3.57,;31.85,-4.34,;31.85,-5.88,;33.19,-3.58,;33.18,-5.11,;27.86,1.05,;26.53,.29,;25.2,1.06,;25.2,2.59,;26.53,3.37,;27.86,2.6,;23.87,3.36,;23.87,4.9,;22.54,2.59,;21.2,3.36,;21.2,4.91,;19.86,5.67,;19.86,7.21,;18.53,4.9,;18.53,3.36,;19.86,2.58,;19.86,1.04,)|

BDBM50338462

CS(=O)(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:18.20,12.12,wD:15.15,(17.28,.05,;15.95,.81,;15.17,2.15,;16.71,2.15,;14.62,.05,;14.62,-1.49,;13.28,-2.26,;11.95,-1.48,;10.62,-2.25,;10.62,-3.79,;11.96,-4.56,;13.29,-3.79,;13.29,.82,;11.95,.06,;10.62,.82,;10.63,2.36,;11.95,3.14,;13.29,2.36,;9.29,3.13,;9.29,4.67,;7.96,2.36,;6.63,3.12,;6.62,4.67,;5.29,5.44,;5.28,6.98,;3.96,4.67,;3.95,3.12,;5.29,2.35,;5.29,.81,)|

BDBM50302961

CS(=O)(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50338424

CS(=O)(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50296758

CS(=O)(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50296497

CS(=O)(=O)Nc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|

BDBM11676

CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|

BDBM11681

CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(F)c1 |r|

BDBM11678

CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CCO)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|

BDBM11969

CS(=O)(=O)c1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM11974

CS(=O)(=O)c1ccc(cc1)-c1nc2CN(CCc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM11679

CS(=O)(=O)c1ccc(cc1)-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50296488

CS(=O)(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|

BDBM50296500

CS(=O)(=O)c1ccc2nc3C[C@@H]([C@@H]([NH3+])Cn3c2c1)c1cc(F)c(F)cc1F |r|

BDBM15514

CS(=O)(=O)c1cccc(CCN2C[C@H](N)[C@H](CC2=O)c2cc(F)c(F)cc2F)c1 |r|

BDBM15518

CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|

BDBM15498

CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|

BDBM15500

CS(=O)(=O)c1cccc(c1)-c1ncnc(n1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|

BDBM50296131

CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1 |r|

BDBM50296130

CS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1 |r|

BDBM50540846

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|

BDBM50003020

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

BDBM11968

CSc1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM11480

CSc1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

BDBM50356595

CSc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(15.43,-50.67,;16.2,-49.34,;15.43,-48.01,;13.89,-48.01,;13.11,-46.67,;13.89,-45.34,;15.43,-45.34,;16.19,-46.68,;17.73,-46.68,;18.63,-47.92,;20.09,-47.45,;20.1,-45.91,;21.42,-45.13,;22.76,-45.9,;24.09,-45.12,;22.76,-47.45,;24.1,-48.22,;25.43,-47.44,;21.43,-48.22,;21.43,-49.76,;20.09,-50.52,;20.09,-52.06,;21.43,-52.83,;21.43,-54.37,;22.77,-52.06,;22.76,-50.52,;24.09,-49.75,;18.63,-45.43,;18.16,-43.97,)|

BDBM581088

C[C@@H](NC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

BDBM50009314

C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|

BDBM50431242

C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM581121

C[C@@H](NC(=O)c1ccncc1-c1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

BDBM50243453

C[C@@H](O)[C@H](N)C(=O)N1CCCC1 |r|

BDBM11660

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cc(Cl)cc(Cl)c1 |r|

BDBM11663

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Br)cc1Cl |r|

BDBM11653

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1 |r|

BDBM11662

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1Cl |r|

BDBM11664

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1Cl |r|

BDBM11661

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F |r|

BDBM11659

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1 |r|

BDBM11665

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|

BDBM11654

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(OC(F)(F)F)cc1 |r|

BDBM11655

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)C(F)(F)F |r|

BDBM11656

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F |r|

BDBM11658

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O |r|

BDBM11657

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(N)(=O)=O |r|

BDBM11666

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|

BDBM11667

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1F)S(C)(=O)=O |r|

BDBM11652

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cccc(c1)C(F)(F)F |r|

BDBM11646

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1 |r|

BDBM11650

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)(F)F |r|

BDBM11647

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)F |r|

BDBM11651

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1Cl |r|

BDBM11649

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1F |r|

BDBM11648

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1OC(F)(F)F |r|

BDBM11674

C[C@@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|

BDBM11670

C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nc(co1)-c1ccc(Cl)cc1Cl |r|

BDBM11671

C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc([nH]1)-c1ccc(Cl)cc1Cl |r|

BDBM11668

C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc(o1)-c1ccc(Cl)cc1Cl |r|

BDBM11669

C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1noc(n1)-c1ccc(Cl)cc1Cl |r|

BDBM11673

C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|

BDBM11672

C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|

BDBM11675

C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|

BDBM50320115

C[C@@H]1CCCN1C(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM622112

C[C@@H]1CN(CCO1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM622110

C[C@@H]1CN(C[C@@H](C)O1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM50411594

C[C@@H]1CN(Cc2ccc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50232521

C[C@@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F

BDBM50232502

C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

BDBM50221455

C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

BDBM50375032

C[C@@H]1N[C@@H](C[C@@H]1C(=O)N(C)C)C(=O)N(C)CC#N

BDBM50205206

C[C@@H]1N[C@@H](C[C@@H]1C(=O)N(C)C)C(=O)N1CCC[C@H]1C#N

BDBM50389464

C[C@H](N)C(=O)N1CC(=O)C[C@H]1B(O)O |r|

BDBM50050525

C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM50389468

C[C@H](N)C(=O)N1C[C@@H](Cl)C[C@H]1B(O)O |r|

BDBM50389465

C[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O |r|

BDBM50389467

C[C@H](N)C(=O)N1C[C@H](F)C[C@H]1B(O)O |r|

BDBM50389466

C[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|

BDBM142088

C[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|

BDBM50253640

C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|

BDBM50253639

C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|

BDBM581089

C[C@H](NC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

BDBM581122

C[C@H](NC(=O)c1ccncc1-c1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

BDBM50242266

C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50221971

C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccc2ncnn12 |wU:2.2,wD:1.0,(.48,-6.64,;.48,-8.18,;1.82,-8.95,;1.82,-10.49,;3.15,-8.18,;3.15,-6.64,;4.49,-8.95,;5.89,-8.33,;6.92,-9.48,;6.14,-10.81,;5.36,-12.14,;7.65,-11.13,;4.63,-10.49,;-.86,-8.95,;-.86,-10.5,;-2.19,-11.26,;-3.52,-10.5,;-3.52,-8.95,;-2.19,-8.18,;-4.85,-11.27,;-6.18,-10.5,;-7.51,-11.27,;-7.51,-12.81,;-6.17,-13.59,;-5.84,-15.09,;-4.31,-15.23,;-3.69,-13.82,;-4.85,-12.81,)|

BDBM50221984

C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)|

BDBM11466

C[C@H]([C@H](N)C(=O)N1CCSC1)c1ccccc1 |r|

BDBM17323

C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-10.53,2.54,;-9.19,4.85,)|

BDBM50221982

C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O |wU:2.2,12.18,wD:1.0,15.19,9.9,(23.46,-31.67,;23.47,-33.21,;24.8,-33.97,;24.81,-35.51,;26.14,-33.2,;26.13,-31.66,;27.47,-33.96,;28.88,-33.33,;29.92,-34.47,;29.15,-35.81,;29.78,-37.21,;27.64,-35.49,;22.14,-33.98,;22.15,-35.52,;20.81,-36.29,;19.47,-35.52,;19.48,-33.98,;20.8,-33.21,;18.14,-34.75,;16.81,-35.52,;15.47,-34.74,;16.8,-37.06,)|

BDBM50221977

C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM50221966

C[C@H]([C@H](N)C(=O)N1CC[C@](C)(F)C1)C1CCC(CC1)c1ccc(F)cc1 |wU:9.9,2.2,wD:1.0,9.10,(-.16,4.94,;-.16,3.4,;1.18,2.63,;1.18,1.09,;2.51,3.4,;2.51,4.94,;3.86,2.63,;5.25,3.25,;6.28,2.1,;5.51,.77,;7.01,.45,;4.72,-.56,;4,1.09,;-1.5,2.63,;-1.5,1.08,;-2.82,.32,;-4.16,1.08,;-4.16,2.63,;-2.83,3.4,;-5.49,.31,;-6.82,1.08,;-8.15,.31,;-8.15,-1.23,;-9.48,-2.01,;-6.81,-2,;-5.48,-1.23,)|

BDBM11186

C[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

BDBM11183

C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

BDBM11187

C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)CC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

BDBM11184

C[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

BDBM11185

C[C@H]([C@H]([NH3+])C(=O)N1CCSC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

BDBM17324

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)C1CC1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-12.07,2.49,;-11.25,1.19,)|

BDBM17319

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)c1cccc(F)c1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-13.19,2.54,;-14.53,3.31,;-11.86,3.31,)|

BDBM17315

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-14.53,.23,;-13.19,2.54,;-11.86,3.31,;-11.86,4.85,)|

BDBM17317

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-11.86,3.31,;-13.19,2.54,;-13.19,1,;-14.53,.23,;-14.53,-1.31,;-15.86,-2.08,;-14.53,-2.85,;-13.19,-2.08,;-11.86,.23,;-10.53,1,)|

BDBM11474

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cc(F)cc(F)c1 |r|

BDBM11478

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Br)cc1 |r|

BDBM11479

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1 |r|

BDBM11469

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1F |r|

BDBM11476

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)c(Cl)c1 |r|

BDBM11475

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)c(F)c1 |r|

BDBM11477

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1 |r|

BDBM11471

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F |r|

BDBM11470

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1Cl |r|

BDBM17310

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NC(C)=O)cc1 |r|

BDBM11485

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(c(F)c1)-c1ccccc1 |r|

BDBM11176

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(Br)c(=O)n(C)c1 |r|

BDBM11174

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(Br)c(=O)n(C)c1C |r|

BDBM11175

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)c(=O)n(C)c1 |r|

BDBM11513

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)cc(F)c1 |r|

BDBM11514

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)ccc1F |r|

BDBM11165

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|

BDBM11166

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

BDBM11173

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1C |r|

BDBM11172

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1F |r|

BDBM11168

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1 |r|

BDBM11171

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(c1)-c1ccc(F)cc1 |r|

BDBM11508

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(C)cc1 |r|

BDBM11515

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)c(F)c1 |r|

BDBM11189

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM11516

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1F |r|

BDBM11509

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1 |r|

BDBM11506

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|

BDBM11511

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r|

BDBM11512

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|

BDBM11503

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(NS(=O)(=O)C(F)(F)F)c1 |r|

BDBM11499

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1 |r|

BDBM11520

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1c[nH]c(=O)[nH]1 |r|

BDBM11519

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1n[nH]c(=O)[nH]1 |r|

BDBM11524

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nc(=O)o[nH]1 |r|

BDBM11521

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnc[nH]1 |r|

BDBM11518

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnco1 |r|

BDBM11523

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|

BDBM11522

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1noc(n1)C1CC1 |r|

BDBM11517

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-n1cnnn1 |r|

BDBM11504

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C(N)=O |r|

BDBM11500

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C(O)=O |r|

BDBM11501

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|

BDBM11502

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O |r|

BDBM11484

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1 |r|

BDBM11497

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1C |r|

BDBM11496

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|

BDBM11494

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1Cl |r|

BDBM11493

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1F |r|

BDBM11489

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccn1 |r|

BDBM11490

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccnc1 |r|

BDBM11491

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccncc1 |r|

BDBM11181

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)c(Cl)c1F |r|

BDBM11178

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1C |r|

BDBM11179

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1CO |r|

BDBM11177

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1F |r|

BDBM11492

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cncnc1 |r|

BDBM11488

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1nccs1 |r|

BDBM11487

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-n1cccn1 |r|

BDBM11481

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)C(F)(F)F |r|

BDBM17308

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(F)cc1 |r|

BDBM17312

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(C)=O |r|

BDBM11486

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N1CCCCC1 |r|

BDBM11482

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)S(C)(=O)=O |r|

BDBM11473

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cccc(Cl)c1 |r|

BDBM11472

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cccc(F)c1 |r|

BDBM11467

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccccc1 |r|

BDBM11468

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccccc1F |r|

BDBM622120

C[C@H]1CN(CCO1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM622108

C[C@H]1CN(C[C@@H](C)O1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM50411595

C[C@H]1CN(Cc2ccc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50232500

C[C@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F

BDBM50221443

C[C@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

BDBM50442195

Cc1[nH]c2c[nH]c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(71.49,-43.46,;70.16,-44.24,;68.83,-43.48,;67.5,-44.24,;66.02,-43.77,;65.12,-45.03,;66.04,-46.28,;65.57,-47.74,;67.51,-45.79,;68.83,-46.56,;70.17,-45.79,;71.5,-46.56,;72.83,-45.78,;68.83,-48.1,;67.49,-48.86,;67.49,-50.4,;68.82,-51.17,;68.82,-52.71,;70.16,-50.4,;70.16,-48.86,;71.49,-48.09,)|

BDBM50442182

Cc1[nH]c2cn(-c3ccccc3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(9.71,-1.99,;8.38,-2.77,;7.04,-2.01,;5.71,-2.77,;4.24,-2.3,;3.34,-3.56,;1.8,-3.57,;1.02,-2.24,;-.53,-2.25,;-1.29,-3.58,;-.5,-4.92,;1.04,-4.9,;4.25,-4.81,;3.78,-6.27,;5.72,-4.32,;7.05,-5.09,;8.38,-4.32,;9.72,-5.09,;11.05,-4.31,;7.05,-6.63,;5.71,-7.39,;5.71,-8.93,;7.04,-9.7,;7.03,-11.24,;8.38,-8.93,;8.38,-7.4,;9.71,-6.62,)|

BDBM50442206

Cc1[nH]c2cn(-c3ccn(C)n3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(11.24,-14.08,;9.91,-14.86,;8.57,-14.09,;7.25,-14.86,;5.77,-14.39,;4.87,-15.65,;3.33,-15.65,;2.41,-14.41,;.95,-14.9,;.96,-16.44,;-.29,-17.35,;2.42,-16.91,;5.78,-16.89,;5.31,-18.36,;7.25,-16.41,;8.58,-17.18,;9.91,-16.41,;11.25,-17.17,;12.58,-16.4,;8.58,-18.72,;7.24,-19.48,;7.24,-21.02,;8.57,-21.79,;8.57,-23.33,;9.91,-21.02,;9.91,-19.48,;11.24,-18.71,)|

BDBM50442184

Cc1[nH]c2cn(CC(=O)N3CCCC3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(31.58,-31.64,;30.25,-32.42,;28.91,-31.65,;27.58,-32.42,;26.11,-31.95,;25.21,-33.21,;23.67,-33.22,;22.89,-31.89,;21.35,-31.89,;23.65,-30.55,;25.19,-30.58,;25.7,-29.12,;24.47,-28.19,;23.21,-29.07,;26.12,-34.46,;25.65,-35.92,;27.59,-33.97,;28.92,-34.74,;30.25,-33.97,;31.59,-34.74,;32.92,-33.96,;28.92,-36.28,;27.58,-37.04,;27.58,-38.58,;28.91,-39.35,;28.91,-40.89,;30.25,-38.58,;30.25,-37.04,;31.58,-36.27,)|

BDBM50442183

Cc1[nH]c2cn(CC(=O)N3CCCCC3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(49.34,-35.7,;48.01,-36.47,;46.68,-35.71,;45.35,-36.47,;43.87,-36,;42.97,-37.26,;41.43,-37.27,;40.65,-35.94,;39.11,-35.95,;41.42,-34.6,;42.95,-34.6,;43.71,-33.27,;42.94,-31.94,;41.4,-31.95,;40.63,-33.28,;43.89,-38.51,;43.42,-39.98,;45.36,-38.02,;46.69,-38.79,;48.02,-38.02,;49.35,-38.79,;50.69,-38.01,;46.68,-40.33,;45.35,-41.09,;45.34,-42.63,;46.67,-43.41,;46.67,-44.95,;48.01,-42.63,;48.01,-41.1,;49.34,-40.32,)|

BDBM50442188

Cc1[nH]c2cn(CC(N)=O)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(13.7,-16.1,;12.37,-16.87,;11.03,-16.11,;9.7,-16.87,;8.23,-16.4,;7.32,-17.66,;5.78,-17.67,;5.01,-16.34,;5.77,-15,;3.47,-16.35,;8.24,-18.91,;7.77,-20.38,;9.71,-18.42,;11.04,-19.19,;12.37,-18.42,;13.71,-19.19,;15.04,-18.41,;11.04,-20.73,;9.7,-21.49,;9.7,-23.03,;11.03,-23.81,;11.02,-25.35,;12.37,-23.03,;12.37,-21.5,;13.7,-20.72,)|

BDBM50442193

Cc1[nH]c2cn(CC(O)=O)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(23.65,-50.78,;22.32,-51.55,;20.98,-50.79,;19.65,-51.56,;18.18,-51.08,;17.27,-52.34,;15.73,-52.35,;14.96,-51.02,;15.72,-49.68,;13.42,-51.03,;18.19,-53.59,;17.72,-55.06,;19.66,-53.1,;20.99,-53.87,;22.32,-53.1,;23.66,-53.87,;24.99,-53.09,;20.98,-55.41,;19.65,-56.17,;19.64,-57.71,;20.97,-58.49,;20.97,-60.03,;22.31,-57.71,;22.31,-56.18,;23.65,-55.41,)|

BDBM50442192

Cc1[nH]c2cn(CCC(O)=O)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(11.05,-4.3,;9.72,-5.08,;8.38,-4.32,;7.05,-5.08,;5.58,-4.61,;4.67,-5.87,;3.13,-5.88,;2.36,-4.55,;3.12,-3.21,;2.34,-1.88,;4.66,-3.2,;5.59,-7.12,;5.12,-8.58,;7.06,-6.63,;8.39,-7.4,;9.72,-6.63,;11.06,-7.4,;12.39,-6.62,;8.38,-8.94,;7.05,-9.7,;7.04,-11.24,;8.37,-12.01,;8.37,-13.55,;9.71,-11.24,;9.71,-9.71,;11.05,-8.93,)|

BDBM50442197

Cc1[nH]c2cn(C[C@@H]3CCCN3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wD:7.6,(40.38,-40.54,;39.05,-41.31,;37.72,-40.55,;36.39,-41.32,;34.91,-40.85,;34.01,-42.1,;32.47,-42.11,;31.69,-40.78,;30.15,-40.72,;29.74,-39.23,;31.02,-38.39,;32.22,-39.35,;34.93,-43.35,;34.46,-44.82,;36.4,-42.87,;37.72,-43.64,;39.06,-42.86,;40.39,-43.63,;41.72,-42.86,;37.72,-45.18,;36.38,-45.94,;36.38,-47.47,;37.71,-48.25,;37.71,-49.79,;39.05,-47.48,;39.05,-45.94,;40.38,-45.17,)|

BDBM50442196

Cc1[nH]c2cn(C[C@@H]3CCCN3S(=O)(=O)C3CC3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wD:7.6,(24.52,-11.2,;23.19,-11.98,;21.85,-11.21,;20.52,-11.98,;19.04,-11.51,;18.14,-12.77,;16.6,-12.78,;15.84,-14.1,;16.25,-15.57,;14.97,-16.41,;13.78,-15.46,;14.32,-14.03,;13.48,-12.76,;12.11,-12.08,;12.2,-13.6,;14.16,-11.39,;15.51,-10.7,;14.23,-9.86,;19.05,-14.02,;18.59,-15.49,;20.53,-13.53,;21.86,-14.3,;23.19,-13.53,;24.53,-14.3,;25.86,-13.52,;21.85,-15.85,;20.52,-16.61,;20.51,-18.15,;21.84,-18.92,;21.84,-20.46,;23.19,-18.15,;23.18,-16.61,;24.52,-15.84,)|

BDBM50442198

Cc1[nH]c2cn(C[C@@H]3CCCO3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wD:7.6,(24.71,-38.82,;23.38,-39.6,;22.05,-38.83,;20.72,-39.6,;19.24,-39.13,;18.34,-40.39,;16.8,-40.39,;16.02,-39.06,;14.47,-39,;14.06,-37.52,;15.35,-36.67,;16.55,-37.63,;19.25,-41.63,;18.79,-43.1,;20.72,-41.15,;22.05,-41.92,;23.39,-41.15,;24.72,-41.91,;26.05,-41.14,;22.05,-43.46,;20.71,-44.22,;20.71,-45.76,;22.04,-46.53,;22.04,-48.07,;23.38,-45.76,;23.38,-44.22,;24.71,-43.45,)|

BDBM50442199

Cc1[nH]c2cn(C[C@H]3CCCO3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wU:7.6,(10.54,-37.99,;9.21,-38.77,;7.87,-38.01,;6.55,-38.77,;5.07,-38.3,;4.17,-39.56,;2.63,-39.57,;1.85,-38.24,;.3,-38.17,;-.11,-36.69,;1.18,-35.84,;2.38,-36.8,;5.08,-40.81,;4.61,-42.27,;6.55,-40.32,;7.88,-41.09,;9.21,-40.32,;10.55,-41.09,;11.88,-40.31,;7.88,-42.63,;6.54,-43.39,;6.54,-44.93,;7.87,-45.7,;7.87,-47.24,;9.21,-44.93,;9.21,-43.4,;10.54,-42.62,)|

BDBM50442205

Cc1[nH]c2cn(Cc3ccccc3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(24.08,-13.06,;22.75,-13.84,;21.42,-13.07,;20.09,-13.84,;18.61,-13.37,;17.71,-14.63,;16.17,-14.64,;15.39,-13.31,;16.16,-11.97,;15.38,-10.64,;13.84,-10.65,;13.08,-12,;13.86,-13.32,;18.62,-15.88,;18.16,-17.34,;20.1,-15.39,;21.42,-16.16,;22.76,-15.39,;24.09,-16.15,;25.42,-15.38,;21.42,-17.7,;20.08,-18.46,;20.08,-20,;21.41,-20.77,;21.41,-22.31,;22.75,-20,;22.75,-18.46,;24.08,-17.69,)|

BDBM50442204

Cc1[nH]c2cn(Cc3ccn(C)n3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(39.93,-15.91,;38.59,-16.68,;37.26,-15.92,;35.93,-16.69,;34.46,-16.22,;33.55,-17.47,;32.01,-17.48,;31.23,-16.15,;31.77,-14.72,;30.56,-13.76,;29.28,-14.6,;27.84,-14.06,;29.69,-16.09,;34.47,-18.72,;34,-20.19,;35.94,-18.24,;37.27,-19.01,;38.6,-18.23,;39.94,-19,;41.27,-18.23,;37.26,-20.55,;35.93,-21.31,;35.92,-22.84,;37.25,-23.62,;37.25,-25.16,;38.59,-22.85,;38.59,-21.31,;39.92,-20.54,)|

BDBM50442203

Cc1[nH]c2cn(Cc3ncco3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(56.61,-17.96,;55.27,-18.74,;53.94,-17.97,;52.61,-18.74,;51.14,-18.27,;50.23,-19.53,;48.69,-19.53,;47.92,-18.2,;46.37,-18.14,;45.96,-16.66,;47.24,-15.81,;48.45,-16.77,;51.15,-20.77,;50.68,-22.24,;52.62,-20.29,;53.95,-21.06,;55.28,-20.29,;56.62,-21.05,;57.95,-20.28,;53.94,-22.6,;52.61,-23.36,;52.6,-24.9,;53.93,-25.67,;53.93,-27.21,;55.27,-24.9,;55.27,-23.36,;56.6,-22.59,)|

BDBM11943

Cc1[nH]nc2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50359371

Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50359370

Cc1c(cnc2cc(nn12)C(C)(C)C)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM11950

Cc1c2CN(CCc2nn1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50215335

Cc1cc(=O)n2nc(ccc2n1)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F

BDBM50434176

Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1 |r|

BDBM50442202

Cc1cc(Cn2cc3[nH]c(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3c2=O)no1 |(63.64,-13.86,;63.57,-15.4,;64.78,-16.36,;64.24,-17.79,;65.02,-19.12,;66.56,-19.12,;67.46,-17.86,;68.94,-18.33,;70.27,-17.56,;71.6,-18.33,;72.93,-17.55,;71.61,-19.88,;72.94,-20.64,;74.28,-19.87,;70.27,-20.65,;70.27,-22.19,;68.94,-22.95,;68.93,-24.49,;70.26,-25.26,;70.26,-26.8,;71.6,-24.49,;71.6,-22.95,;72.93,-22.18,;68.95,-19.88,;67.48,-20.36,;67.01,-21.83,;62.7,-17.73,;62.29,-16.24,)|

BDBM50102854

Cc1cc(N2CCC[C@@H](N)C2)c2n(Cc3ccccc3C#N)c(=O)n(C)c2n1 |r|

BDBM50391570

Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccc(F)c1 |r|

BDBM50391565

Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r|

BDBM50391568

Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccn1 |r|

BDBM50324494

Cc1cc(NC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n(C)n1 |(-2.95,-5.54,;-1.73,-4.59,;-.25,-5.02,;.61,-3.75,;2.15,-3.7,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.92,;10.83,-3.64,;12.14,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.26,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.45,-6.05,;10.79,-5.3,;-.33,-2.53,;.1,-1.06,;-1.78,-3.05,)|

BDBM622049

Cc1cc(cc2c(ccnc12)C(=O)NCC(=O)N1CSC[C@H]1C#N)N1CCOCC1 |r|

BDBM11680

Cc1cc(ccc1-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1)S(C)(=O)=O |r|

BDBM50296492

Cc1cc2[n+]3C[C@H]([NH3+])[C@H](Cc3[nH]c2cn1)c1cc(F)c(F)cc1F |r|

BDBM50381856

Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|

BDBM50359374

Cc1cc2nc(C)c(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1 |r|

BDBM50323169

Cc1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-8.28,2.56,;-6.74,2.57,;-5.84,3.82,;-4.37,3.36,;-3.04,4.13,;-1.7,3.36,;-.37,4.14,;-1.7,1.82,;-.36,1.06,;.97,1.83,;-3.03,1.05,;-3.02,-.48,;-4.35,-1.25,;-4.35,-2.8,;-3.02,-3.57,;-3.02,-5.1,;-1.68,-2.79,;-1.69,-1.24,;-.36,-.47,;-4.36,1.81,;-5.82,1.33,)|

BDBM50359369

Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(=O)n2[nH]1 |r|

BDBM50359367

Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1 |r|

BDBM50359368

Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(n2n1)C(F)(F)F |r|

BDBM50359366

Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50447698

Cc1ccc(=O)n(n1)[C@H]1CC[C@@](CN)(CC1)c1cccc(Cl)c1 |r,wU:11.17,wD:8.8,(14.54,-17.05,;14.51,-15.51,;15.83,-14.71,;15.8,-13.17,;14.45,-12.43,;14.41,-10.89,;13.14,-13.23,;13.17,-14.77,;11.79,-12.49,;11.75,-10.95,;10.4,-10.21,;9.09,-11.02,;9.06,-9.46,;10.38,-8.66,;9.13,-12.56,;10.47,-13.29,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)|

BDBM50443739

Cc1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|

BDBM50443760

Cc1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 |r|

BDBM50454652

Cc1ccc(Cn2c(cc(=O)n3nccc23)N2CCC[C@@H](N)C2)cc1 |r|

BDBM50454653

Cc1ccc(Cn2c(cc(=O)n3nccc23)N2CCNCC2)cc1

BDBM50332232

Cc1ccc(F)cc1Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r|

BDBM50332229

Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r|

BDBM50338429

Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1 |r|

BDBM50556498

Cc1ccc(Nc2cc(nc3ccnn23)N2CCC[C@@H](N)C2)c(C)c1 |r|

BDBM50556497

Cc1ccc(Nc2cc(nc3ccnn23)N2CCC[C@@H](N)C2)c(N)c1 |r|

BDBM50556513

Cc1ccc(Nc2cc(nc3ccnn23)N2CCNCC2)c(C)c1

BDBM50336813

Cc1ccc(cc1)-c1c(CN)c(CC(C)(C)C)nc(C)c1C(O)=O

BDBM50336819

Cc1ccc(cc1)-c1c(CN)c(CC(C)(C)C)nc(C)c1CC(O)=O

BDBM50336818

Cc1ccc(cc1)-c1c(CN)c(CC(C)(C)C)nc(Cc2ccccc2)c1C(O)=O

BDBM50323178

Cc1ccc(cc1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(5.3,-29.16,;6.84,-29.15,;7.6,-27.81,;9.14,-27.8,;9.91,-29.13,;9.16,-30.46,;7.62,-30.48,;11.45,-29.12,;12.35,-27.86,;13.82,-28.33,;15.16,-27.56,;16.5,-28.32,;17.83,-27.55,;16.5,-29.86,;17.83,-30.63,;19.17,-29.86,;15.16,-30.63,;15.18,-32.17,;13.85,-32.94,;13.84,-34.48,;15.18,-35.25,;15.18,-36.79,;16.52,-34.48,;16.51,-32.93,;17.84,-32.16,;13.83,-29.87,;12.37,-30.36,)|

BDBM50323165

Cc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(27.16,-14.66,;28.7,-14.65,;29.46,-13.31,;31,-13.3,;31.78,-14.63,;31.03,-15.96,;29.49,-15.98,;33.32,-14.62,;34.24,-15.86,;35.7,-15.38,;37.03,-16.14,;38.37,-15.36,;39.7,-16.13,;41.03,-15.36,;38.36,-13.82,;39.69,-13.05,;37.03,-13.06,;35.69,-13.83,;34.22,-13.36,;37.04,-17.67,;35.71,-18.44,;35.71,-19.99,;37.05,-20.76,;37.04,-22.3,;38.38,-19.98,;38.38,-18.43,;39.71,-17.66,)|

BDBM50356600

Cc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-9.47,-34.86,;-7.93,-34.86,;-7.16,-33.52,;-5.62,-33.53,;-4.85,-34.86,;-5.62,-36.19,;-7.16,-36.2,;-3.32,-34.86,;-2.42,-36.11,;-.95,-35.63,;-.95,-34.1,;.38,-33.32,;1.71,-34.08,;3.04,-33.31,;1.72,-35.63,;3.05,-36.4,;4.39,-35.63,;.38,-36.41,;.38,-37.94,;-.95,-38.71,;-.95,-40.25,;.38,-41.02,;.38,-42.56,;1.72,-40.24,;1.71,-38.71,;3.04,-37.93,;-2.41,-33.62,;-2.89,-32.15,)|

BDBM581085

Cc1ccc(cn1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM233322

Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1[N+]#[C-] |r|

BDBM642346

Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

BDBM50296504

Cc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|

BDBM50324510

Cc1cccc(CNCC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-4.59,-8.35,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,;-1.62,-5.59,;-.08,-5.54,;.65,-4.18,;2.19,-4.14,;2.92,-2.78,;2.11,-1.48,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;9.45,-1.81,;10.76,-1,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;-2.34,-6.93,)|

BDBM50323179

Cc1cccc(c1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(22.14,-31.62,;22.89,-30.28,;22.11,-28.94,;22.87,-27.6,;24.41,-27.59,;25.18,-28.93,;24.43,-30.26,;26.72,-28.92,;27.62,-27.66,;29.09,-28.13,;30.43,-27.35,;31.77,-28.12,;33.1,-27.35,;31.77,-29.66,;33.11,-30.43,;34.44,-29.65,;30.44,-30.43,;30.45,-31.97,;29.12,-32.74,;29.12,-34.28,;30.45,-35.05,;30.45,-36.59,;31.79,-34.28,;31.78,-32.73,;33.11,-31.95,;29.1,-29.67,;27.64,-30.16,)|

BDBM50009360

Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|

BDBM50323173

Cc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-6.57,-12.99,;-7.36,-11.66,;-8.89,-11.68,;-9.68,-10.35,;-8.92,-9.01,;-7.38,-9,;-6.6,-10.33,;-5.06,-10.32,;-4.17,-9.06,;-2.69,-9.53,;-1.36,-8.76,;-.02,-9.52,;1.31,-8.75,;-.02,-11.06,;1.32,-11.83,;2.65,-11.06,;-1.35,-11.83,;-1.34,-13.37,;-2.67,-14.14,;-2.67,-15.68,;-1.34,-16.45,;-1.34,-17.99,;-0,-15.68,;-.01,-14.13,;1.32,-13.36,;-2.68,-11.07,;-4.15,-11.56,)|

BDBM50098998

Cc1ccccc1C[C@@H](N)CC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443759

Cc1ccccc1C[C@H](N)C(=O)N1CCC[C@H]1C#N |r|

BDBM50356599

Cc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(12.04,-37.97,;11.27,-36.64,;9.74,-36.64,;8.96,-35.3,;9.73,-33.97,;11.27,-33.97,;12.04,-35.31,;13.57,-35.3,;14.48,-36.55,;15.94,-36.08,;15.94,-34.54,;17.27,-33.76,;18.61,-34.53,;19.94,-33.75,;18.61,-36.08,;19.95,-36.84,;21.28,-36.07,;17.27,-36.85,;17.28,-38.38,;15.94,-39.15,;15.94,-40.69,;17.27,-41.46,;17.28,-43,;18.61,-40.69,;18.61,-39.15,;19.94,-38.38,;14.48,-34.06,;14.01,-32.6,)|

BDBM50556508

Cc1ccnc(Nc2cc(nc3ccnn23)N2CCC[C@@H](N)C2)c1 |r|

BDBM50556521

Cc1ccnc(Nc2cc(nc3ccnn23)N2CCNCC2)c1

BDBM50324495

Cc1csc(NC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-2.95,-5.53,;-1.73,-4.59,;-1.78,-3.05,;-.33,-2.53,;.61,-3.75,;2.15,-3.7,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.91,;10.83,-3.64,;12.13,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.25,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,;-.25,-5.02,)|

BDBM50335627

Cc1csc2c1nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O |r|

BDBM50335624

Cc1csc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c12 |r|

BDBM50449231

Cc1nc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cs1 |r|

BDBM50356589

Cc1nc2C(=O)N(CC(=O)N3CCC(CC3)C(N)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(6.41,-30.16,;5.08,-30.93,;3.75,-30.17,;2.42,-30.95,;.95,-30.47,;.48,-29,;.05,-31.71,;-1.49,-31.71,;-2.25,-33.05,;-1.48,-34.38,;-3.79,-33.05,;-4.56,-31.72,;-6.09,-31.72,;-6.87,-33.05,;-6.1,-34.38,;-4.56,-34.39,;-8.41,-33.04,;-9.18,-31.71,;-9.18,-34.38,;.95,-32.96,;2.41,-32.48,;3.75,-33.26,;5.09,-32.48,;6.42,-33.25,;7.75,-32.48,;3.75,-34.79,;2.41,-35.56,;2.41,-37.1,;3.75,-37.87,;3.75,-39.41,;5.09,-37.09,;5.08,-35.56,;6.41,-34.78,)|

BDBM50356585

Cc1nc2C(=O)N(CC(=O)N3CCCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(22.17,-39.13,;20.84,-39.9,;19.5,-39.14,;18.17,-39.91,;16.71,-39.44,;16.24,-37.97,;15.8,-40.68,;14.27,-40.68,;13.5,-42.02,;14.28,-43.35,;11.96,-42.02,;11.05,-40.78,;9.59,-41.26,;9.59,-42.8,;11.06,-43.27,;16.71,-41.93,;18.17,-41.45,;19.51,-42.22,;20.84,-41.45,;22.18,-42.22,;23.51,-41.45,;19.51,-43.76,;18.17,-44.53,;18.17,-46.07,;19.51,-46.84,;19.51,-48.38,;20.84,-46.06,;20.84,-44.52,;22.17,-43.75,)|

BDBM50356587

Cc1nc2C(=O)N(CC(=O)N3CCN(CC3)S(C)(=O)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(48.61,-29.07,;47.28,-29.84,;45.95,-29.08,;44.62,-29.86,;43.16,-29.38,;42.68,-27.91,;42.25,-30.62,;40.72,-30.62,;39.95,-31.96,;40.72,-33.29,;38.41,-31.96,;37.64,-30.63,;36.11,-30.63,;35.33,-31.96,;36.1,-33.29,;37.65,-33.3,;33.79,-31.95,;33.03,-30.62,;32.45,-32.72,;33.78,-33.49,;43.15,-31.87,;44.62,-31.4,;45.95,-32.17,;47.29,-31.39,;48.62,-32.16,;49.96,-31.39,;45.95,-33.7,;44.62,-34.47,;44.62,-36.01,;45.95,-36.78,;45.95,-38.32,;47.29,-36,;47.28,-34.47,;48.61,-33.69,)|

BDBM50356584

Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(23.9,-37.72,;22.57,-38.49,;21.24,-37.73,;19.91,-38.51,;18.45,-38.03,;17.97,-36.56,;17.54,-39.27,;16.01,-39.27,;15.24,-40.61,;16.01,-41.94,;13.7,-40.61,;12.93,-39.28,;11.4,-39.28,;10.62,-40.61,;11.39,-41.94,;12.94,-41.95,;18.44,-40.52,;19.91,-40.04,;21.24,-40.82,;22.58,-40.04,;23.91,-40.81,;25.25,-40.04,;21.24,-42.35,;19.91,-43.12,;19.91,-44.66,;21.24,-45.43,;21.24,-46.97,;22.58,-44.65,;22.57,-43.12,;23.9,-42.34,)|

BDBM50356582

Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(14.01,-46.7,;12.68,-47.48,;11.34,-46.71,;10.02,-47.49,;8.55,-47.01,;8.08,-45.55,;7.65,-48.25,;6.11,-48.26,;5.34,-49.59,;6.12,-50.92,;3.8,-49.59,;3.04,-50.93,;1.5,-50.93,;.74,-52.26,;-.8,-52.27,;-1.58,-50.93,;-.81,-49.6,;.73,-49.59,;8.55,-49.5,;10.01,-49.03,;11.35,-49.8,;12.68,-49.03,;14.02,-49.79,;15.35,-49.02,;11.35,-51.33,;10.01,-52.1,;10.01,-53.64,;11.35,-54.41,;11.35,-55.95,;12.69,-53.64,;12.68,-52.1,;14.01,-51.33,)|

BDBM50356583

Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)|

BDBM50356593

Cc1nc2C(=O)N(CC(N)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.55,-18.29,;1.21,-19.06,;-.12,-18.3,;-1.45,-19.08,;-2.91,-18.6,;-3.39,-17.13,;-3.82,-19.84,;-5.35,-19.84,;-6.12,-21.18,;-7.66,-21.18,;-5.35,-22.51,;-2.92,-21.09,;-1.45,-20.62,;-.12,-21.39,;1.22,-20.61,;2.56,-21.38,;3.89,-20.61,;-.11,-22.92,;-1.45,-23.69,;-1.45,-25.23,;-.12,-26,;-.12,-27.54,;1.22,-25.22,;1.22,-23.69,;2.55,-22.91,)|

BDBM50356579

Cc1nc2C(=O)N(CC(O)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(17.03,-6.22,;15.7,-6.99,;14.36,-6.23,;13.03,-7.01,;11.57,-6.53,;11.1,-5.06,;10.66,-7.77,;9.13,-7.77,;8.36,-9.11,;9.13,-10.44,;6.82,-9.11,;11.57,-9.02,;13.03,-8.54,;14.37,-9.32,;15.7,-8.54,;17.04,-9.31,;18.37,-8.54,;14.37,-10.85,;13.03,-11.62,;13.03,-13.16,;14.36,-13.93,;14.37,-15.47,;15.7,-13.15,;15.7,-11.62,;17.03,-10.84,)|

BDBM50356578

Cc1nc2C(=O)N(CCO)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(33.04,-6.63,;31.71,-7.41,;30.38,-6.64,;29.05,-7.42,;27.58,-6.94,;27.11,-5.47,;26.68,-8.18,;25.14,-8.19,;24.38,-9.52,;25.15,-10.85,;27.58,-9.43,;29.05,-8.96,;30.38,-9.73,;31.72,-8.96,;33.05,-9.72,;34.38,-8.95,;30.38,-11.26,;29.05,-12.03,;29.04,-13.57,;30.38,-14.34,;30.38,-15.88,;31.72,-13.56,;31.71,-12.03,;33.04,-11.25,)|

BDBM50356598

Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 |(37.77,-35.12,;36.44,-35.9,;35.11,-35.13,;33.78,-35.91,;32.31,-35.43,;31.84,-33.96,;31.41,-36.67,;32.31,-37.92,;33.77,-37.45,;35.11,-38.22,;36.45,-37.45,;37.78,-38.21,;39.11,-37.44,;35.11,-39.75,;33.77,-40.52,;33.77,-42.06,;35.11,-42.83,;35.11,-44.37,;36.45,-42.05,;36.44,-40.52,;37.77,-39.74,;29.87,-36.68,;29.11,-35.34,;27.57,-35.34,;26.79,-36.67,;25.25,-36.67,;27.57,-38.01,;29.11,-38,)|

BDBM50356597

Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(F)cc1 |(54.92,-34.84,;53.58,-35.61,;52.25,-34.85,;50.92,-35.62,;49.46,-35.15,;48.98,-33.68,;48.55,-36.39,;49.45,-37.64,;50.92,-37.16,;52.25,-37.93,;53.59,-37.16,;54.93,-37.93,;56.26,-37.16,;52.25,-39.47,;50.92,-40.24,;50.92,-41.78,;52.25,-42.55,;52.25,-44.09,;53.59,-41.77,;53.59,-40.24,;54.92,-39.46,;47.02,-36.39,;46.25,-35.05,;44.71,-35.05,;43.94,-36.39,;42.4,-36.39,;44.71,-37.72,;46.25,-37.72,)|

BDBM50356596

Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N |(4.98,-44.66,;3.65,-45.43,;2.31,-44.67,;.99,-45.44,;-.48,-44.97,;-.95,-43.5,;-1.38,-46.21,;-.48,-47.46,;.98,-46.98,;2.32,-47.75,;3.65,-46.98,;4.99,-47.75,;6.32,-46.98,;2.32,-49.29,;.98,-50.06,;.98,-51.6,;2.32,-52.37,;2.32,-53.91,;3.66,-51.59,;3.65,-50.05,;4.98,-49.28,;-2.92,-46.21,;-3.68,-44.87,;-5.22,-44.87,;-6,-46.2,;-5.22,-47.54,;-3.68,-47.54,;-7.54,-46.2,;-9.09,-46.21,)|

BDBM50356603

Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccccc1 |(26.42,4.62,;25.08,3.85,;23.75,4.61,;22.42,3.84,;20.96,4.31,;20.48,5.78,;20.05,3.07,;20.95,1.82,;22.42,2.3,;23.75,1.53,;25.09,2.3,;26.43,1.53,;27.76,2.3,;23.76,-.01,;22.42,-.78,;22.42,-2.32,;23.75,-3.09,;23.75,-4.63,;25.09,-2.31,;25.09,-.77,;26.42,-0,;18.52,3.07,;17.75,4.41,;16.21,4.41,;15.44,3.08,;16.22,1.74,;17.75,1.74,)|

BDBM50356576

Cc1nc2C(=O)N(Cc3ccccc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.64,-21.56,;1.31,-22.34,;-.03,-21.57,;-1.36,-22.34,;-2.83,-21.86,;-3.3,-20.4,;-3.74,-23.11,;-5.28,-23.11,;-6.05,-21.78,;-5.27,-20.45,;-6.03,-19.12,;-7.58,-19.11,;-8.35,-20.46,;-7.58,-21.78,;-2.83,-24.37,;-1.36,-23.89,;-.02,-24.66,;1.31,-23.89,;2.65,-24.66,;3.98,-23.88,;-.02,-26.2,;-1.36,-26.97,;-1.36,-28.5,;-.02,-29.28,;-.02,-30.82,;1.31,-28.5,;1.31,-26.96,;2.64,-26.19,)|

BDBM50356594

Cc1nc2C(=O)NCc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.06,4.78,;.72,4,;-.61,4.77,;-1.94,3.99,;-3.4,4.47,;-3.88,5.94,;-4.31,3.23,;-3.41,1.98,;-1.94,2.45,;-.61,1.68,;.73,2.45,;2.07,1.69,;3.4,2.46,;-.6,.15,;-1.94,-.62,;-1.94,-2.16,;-.61,-2.93,;-.61,-4.47,;.73,-2.15,;.73,-.62,;2.06,.16,)|

BDBM11964

Cc1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50356575

Cc1nc2CN(Cc3ccccc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(36.48,-23.4,;35.15,-24.18,;33.81,-23.42,;32.48,-24.18,;31.01,-23.7,;30.1,-24.95,;28.56,-24.95,;27.79,-23.62,;28.57,-22.29,;27.8,-20.96,;26.26,-20.96,;25.49,-22.3,;26.26,-23.63,;31.01,-26.21,;32.48,-25.73,;33.81,-26.5,;35.15,-25.73,;36.49,-26.5,;37.82,-25.73,;33.82,-28.04,;32.48,-28.81,;32.48,-30.34,;33.81,-31.12,;33.82,-32.66,;35.15,-30.34,;35.15,-28.8,;36.48,-28.03,)|

BDBM50323170

Cc1nc2c(cnn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(17.35,3.69,;16.02,2.91,;14.68,3.68,;13.35,2.91,;11.88,3.37,;10.98,2.12,;11.89,.88,;13.36,1.36,;14.69,.6,;16.02,1.38,;17.36,.61,;18.69,1.38,;14.7,-.93,;13.37,-1.7,;13.37,-3.25,;14.7,-4.02,;14.7,-5.56,;16.04,-3.25,;16.04,-1.7,;17.37,-.92,;11.08,4.69,;11.83,6.04,;11.03,7.35,;9.49,7.32,;8.75,5.97,;9.55,4.65,)|

BDBM50359373

Cc1nc2cc(nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)-c1ccccc1 |r|

BDBM50359372

Cc1nc2cc(nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)C(C)(C)C |r|

BDBM50323176

Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(48.4,-10.78,;47.07,-11.56,;45.73,-10.79,;44.4,-11.56,;42.93,-11.1,;42.03,-12.35,;42.94,-13.59,;44.41,-13.11,;45.74,-13.87,;47.07,-13.09,;48.41,-13.86,;49.74,-13.09,;45.75,-15.4,;44.42,-16.17,;44.42,-17.72,;45.75,-18.49,;45.75,-20.03,;47.09,-17.71,;47.08,-16.16,;48.42,-15.39,;40.49,-12.36,;39.71,-11.03,;38.18,-11.04,;37.41,-12.38,;35.87,-12.39,;38.2,-13.71,;39.74,-13.7,)|

BDBM50323180

Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1 |(49.4,-30.31,;48.07,-31.08,;46.73,-30.31,;45.4,-31.09,;43.93,-30.62,;43.03,-31.88,;43.94,-33.12,;45.41,-32.63,;46.74,-33.39,;48.07,-32.62,;49.41,-33.39,;50.74,-32.61,;46.75,-34.93,;45.42,-35.7,;45.42,-37.24,;46.75,-38.01,;46.75,-39.55,;48.09,-37.24,;48.08,-35.69,;49.41,-34.91,;41.49,-31.89,;40.71,-30.56,;39.17,-30.57,;38.41,-31.9,;39.2,-33.24,;38.44,-34.58,;40.73,-33.22,)|

BDBM50323171

Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(32.22,5.03,;30.89,4.26,;29.56,5.02,;28.22,4.25,;26.75,4.72,;25.85,3.46,;26.77,2.22,;28.23,2.71,;29.56,1.95,;30.9,2.72,;32.23,1.95,;33.56,2.72,;29.57,.41,;28.25,-.36,;28.24,-1.9,;29.58,-2.67,;29.58,-4.21,;30.91,-1.9,;30.91,-.35,;32.24,.42,;24.31,3.45,;23.54,4.78,;22,4.77,;21.24,3.43,;22.02,2.1,;23.56,2.12,)|

BDBM50323174

Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(16.35,-8.79,;15.02,-9.57,;13.69,-8.8,;12.35,-9.57,;10.88,-9.11,;9.98,-10.36,;10.9,-11.6,;12.36,-11.12,;13.69,-11.88,;15.03,-11.1,;16.36,-11.87,;17.69,-11.1,;13.7,-13.41,;12.37,-14.18,;12.37,-15.72,;13.71,-16.5,;13.71,-18.03,;15.04,-15.72,;15.04,-14.17,;16.37,-13.4,;8.44,-10.37,;7.67,-9.04,;6.13,-9.05,;5.37,-10.39,;6.15,-11.72,;7.69,-11.71,;8.47,-13.03,)|

BDBM50323175

Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccco1 |(32.7,-8.42,;31.37,-9.2,;30.03,-8.43,;28.7,-9.2,;27.23,-8.74,;26.33,-9.99,;27.24,-11.23,;28.71,-10.75,;30.04,-11.51,;31.37,-10.74,;32.71,-11.5,;34.04,-10.73,;30.05,-13.04,;28.72,-13.81,;28.72,-15.36,;30.05,-16.13,;30.05,-17.67,;31.39,-15.36,;31.38,-13.81,;32.72,-13.03,;24.79,-10,;23.87,-8.77,;22.41,-9.26,;22.42,-10.8,;23.89,-11.26,)|

BDBM50612350

Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(4.83,4.62,;3.5,3.85,;2.17,4.62,;.84,3.85,;-.63,4.31,;-1.55,3.06,;-.67,1.83,;.84,2.3,;2.17,1.54,;3.5,2.31,;4.83,1.54,;6.17,2.31,;2.17,-0,;.84,-.77,;.84,-2.31,;2.17,-3.08,;2.17,-4.62,;3.51,-2.31,;3.51,-.77,;4.84,-0,;-3.09,3.06,;-3.86,4.4,;-5.4,4.4,;-6.17,3.06,;-5.4,1.72,;-3.86,1.72,)|

BDBM50612351

Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(4.83,4.06,;3.5,3.29,;2.17,4.06,;.84,3.29,;-.63,3.75,;-1.55,2.5,;-.67,1.28,;.84,1.74,;2.17,.98,;3.5,1.75,;4.83,.98,;6.17,1.75,;2.17,-.56,;.84,-1.33,;.84,-2.87,;2.17,-3.63,;2.17,-5.17,;3.51,-2.86,;3.51,-1.33,;4.84,-.56,;-3.09,2.5,;-3.86,1.17,;-5.4,1.17,;-6.17,2.5,;-5.4,3.84,;-3.86,3.84,;-3.09,5.17,)|

BDBM50215336

Cc1nc2ccc(nc2c(=O)[nH]1)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F

BDBM50434175

Cc1nc2ccccc2c(C(=O)NCC(=O)N2CCC[C@H]2C#N)c1O |r|

BDBM50356574

Cc1nc2cn(Cc3ccccc3)cc2c(c1CN)-c1ccc(Cl)cc1Cl |(20.7,-21.4,;19.37,-22.18,;18.03,-21.41,;16.7,-22.18,;15.23,-21.7,;14.32,-22.95,;12.78,-22.95,;12.01,-21.61,;12.79,-20.29,;12.03,-18.95,;10.48,-18.95,;9.71,-20.29,;10.48,-21.62,;15.23,-24.2,;16.7,-23.73,;18.04,-24.5,;19.37,-23.73,;20.71,-24.49,;22.04,-23.72,;18.04,-26.03,;16.7,-26.8,;16.7,-28.34,;18.04,-29.11,;18.04,-30.65,;19.37,-28.33,;19.37,-26.8,;20.7,-26.02,)|

BDBM50323181

Cc1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.97,3.4,;-8.43,3.41,;-7.54,4.67,;-6.07,4.2,;-4.73,4.98,;-3.39,4.21,;-2.06,4.98,;-3.39,2.67,;-2.06,1.91,;-.73,2.68,;-4.73,1.91,;-4.73,.37,;-6.04,-.4,;-6.04,-1.95,;-4.71,-2.72,;-4.71,-4.26,;-3.37,-1.95,;-3.4,-.4,;-2.06,.37,;-6.06,2.66,;-7.52,2.17,)|

BDBM50323164

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(22.47,-12.16,;21.14,-12.93,;19.8,-12.16,;18.47,-12.94,;17,-12.47,;16.1,-13.72,;17.01,-14.97,;18.48,-14.48,;19.81,-15.24,;21.14,-14.47,;22.48,-15.23,;23.81,-14.46,;19.82,-16.77,;18.49,-17.55,;18.49,-19.09,;19.82,-19.86,;19.82,-21.4,;21.16,-19.09,;21.16,-17.54,;22.49,-16.76,;14.56,-13.73,;13.78,-12.4,;12.24,-12.41,;11.48,-13.75,;9.94,-13.77,;12.27,-15.09,;13.8,-15.07,)|

BDBM50323163

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1 |(2.01,-11.55,;.68,-12.32,;-.66,-11.55,;-1.99,-12.33,;-3.47,-11.86,;-4.36,-13.12,;-3.45,-14.36,;-1.98,-13.87,;-.65,-14.63,;.68,-13.86,;2.02,-14.63,;3.35,-13.86,;-.64,-16.17,;-1.97,-16.94,;-1.97,-18.48,;-.64,-19.25,;-.64,-20.79,;.7,-18.48,;.69,-16.93,;2.02,-16.16,;-5.9,-13.13,;-6.68,-11.8,;-8.22,-11.81,;-8.98,-13.15,;-8.19,-14.48,;-8.95,-15.82,;-6.66,-14.46,)|

BDBM50323161

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)|

BDBM50323162

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(39.17,3.9,;37.83,3.12,;36.5,3.89,;35.16,3.12,;33.69,3.58,;32.79,2.33,;33.71,1.09,;35.17,1.57,;36.5,.81,;37.84,1.58,;39.17,.82,;40.5,1.59,;36.51,-.72,;35.18,-1.49,;35.18,-3.04,;36.52,-3.81,;36.52,-5.35,;37.85,-3.04,;37.85,-1.49,;39.18,-.71,;31.25,2.32,;30.47,3.65,;28.94,3.64,;28.17,2.3,;28.96,.97,;30.5,.98,;31.28,-.34,)|

BDBM50324516

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 |(25.5,2.3,;24.2,1.48,;22.84,2.2,;21.54,1.39,;20.06,1.83,;19.2,.56,;20.14,-.66,;21.59,-.14,;22.94,-.87,;24.24,-.06,;25.61,-.79,;26.91,.02,;22.91,-2.4,;21.56,-3.14,;21.52,-4.68,;22.85,-5.48,;22.81,-7.02,;24.2,-4.73,;24.22,-3.19,;25.57,-2.45,;17.65,.51,;16.84,1.82,;16.93,-.85,;17.6,-2.22,;16.48,-3.29,;15.13,-2.56,;15.4,-1.04,)|

BDBM50324524

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)S(C)(=O)=O |(11.6,.54,;10.29,-.27,;8.93,.44,;7.63,-.37,;6.16,.07,;5.29,-1.2,;6.24,-2.42,;7.68,-1.9,;9.03,-2.63,;10.34,-1.82,;11.7,-2.54,;13.01,-1.73,;9,-4.16,;7.65,-4.9,;7.62,-6.44,;8.94,-7.24,;8.91,-8.78,;10.29,-6.48,;10.32,-4.95,;11.66,-4.21,;3.75,-1.24,;2.94,.06,;3.02,-2.6,;3.82,-3.91,;3.09,-5.26,;1.55,-5.3,;.75,-3.99,;1.48,-2.64,;.82,-6.65,;-.72,-6.7,;.4,-8.14,;2.15,-7.42,)|

BDBM50324521

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)C1 |(7.23,-5.85,;5.92,-6.66,;4.56,-5.95,;3.26,-6.75,;1.79,-6.32,;.92,-7.59,;1.87,-8.81,;3.31,-8.29,;4.66,-9.02,;5.97,-8.21,;7.33,-8.93,;8.64,-8.12,;4.63,-10.55,;3.28,-11.29,;3.25,-12.83,;4.57,-13.63,;4.54,-15.17,;5.92,-12.87,;5.95,-11.34,;7.29,-10.6,;-.62,-7.63,;-1.43,-6.33,;-1.34,-8.99,;-.54,-10.31,;-1.27,-11.66,;-2.81,-11.71,;-3.61,-10.39,;-5.15,-10.43,;-2.88,-9.04,)|

BDBM50324517

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 |(3.79,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.07,1.68,;-4.87,2.99,;-4.79,.32,;-3.99,-1,;-4.73,-2.35,;-6.27,-2.39,;-7.07,-1.08,;-6.34,.27,)|

BDBM50324523

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C1)NS(C)(=O)=O |r,wD:25.30,(7.23,-5.85,;5.92,-6.66,;4.56,-5.95,;3.26,-6.75,;1.79,-6.32,;.92,-7.59,;1.87,-8.81,;3.31,-8.29,;4.66,-9.02,;5.97,-8.21,;7.33,-8.93,;8.64,-8.12,;4.63,-10.55,;3.28,-11.29,;3.25,-12.83,;4.57,-13.63,;4.54,-15.17,;5.92,-12.87,;5.95,-11.34,;7.29,-10.6,;-.62,-7.63,;-1.43,-6.33,;-1.34,-8.99,;-.88,-10.46,;-2.12,-11.36,;-3.37,-10.46,;-2.89,-8.99,;-4.91,-10.48,;-5.99,-9.37,;-7.4,-10.02,;-6.68,-7.99,;-4.84,-8.35,)|

BDBM50324497

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1COCC1(C)C |(10.72,-.55,;9.42,-1.37,;8.06,-.65,;6.76,-1.46,;5.28,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.46,-2.91,;10.82,-3.64,;12.13,-2.83,;8.13,-5.25,;6.78,-5.99,;6.74,-7.53,;8.07,-8.33,;8.03,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,;2.88,-2.34,;2.07,-1.03,;2.15,-3.7,;2.66,-5.14,;1.44,-6.08,;.17,-5.2,;.61,-3.72,;-.99,-3.83,;-.16,-2.39,)|

BDBM50324518

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NC1CCOCC1 |(3.78,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.06,1.68,;-4.87,2.98,;-4.79,.32,;-6.33,.27,;-7.07,-1.1,;-8.62,-1.13,;-9.43,.18,;-8.7,1.54,;-7.16,1.59,)|

BDBM50324520

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCN1CCCCC1 |(7.23,-5.85,;5.92,-6.66,;4.56,-5.95,;3.27,-6.76,;1.79,-6.32,;.93,-7.59,;1.87,-8.81,;3.31,-8.29,;4.66,-9.02,;5.97,-8.21,;7.33,-8.93,;8.64,-8.12,;4.63,-10.55,;3.28,-11.29,;3.25,-12.83,;4.57,-13.63,;4.54,-15.17,;5.92,-12.87,;5.95,-11.34,;7.29,-10.6,;-.62,-7.63,;-1.43,-6.33,;-1.34,-8.99,;-2.89,-9.04,;-3.71,-7.74,;-5.25,-7.78,;-5.96,-9.15,;-7.51,-9.19,;-8.32,-7.88,;-7.59,-6.53,;-6.06,-6.48,)|

BDBM50324512

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.93,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,)|

BDBM50324511

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1cccnc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.94,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.32,;-2.42,-4.28,)|

BDBM50324513

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccncc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.42,-4.28,;-3.96,-4.32,;-4.69,-5.68,;-3.87,-6.99,;-2.34,-6.94,)|

BDBM50324509

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1cnc[nH]1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.57,-4.37,;-4.01,-4.88,;-3.96,-6.42,;-2.49,-6.86,)|

BDBM50324506

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 |(7.8,-1.45,;6.49,-2.27,;5.14,-1.55,;3.84,-2.36,;2.36,-1.92,;1.5,-3.2,;2.43,-4.42,;3.89,-3.9,;5.24,-4.63,;6.55,-3.82,;7.91,-4.54,;9.21,-3.73,;5.21,-6.16,;3.86,-6.9,;3.83,-8.44,;5.15,-9.24,;5.12,-10.78,;6.5,-8.48,;6.52,-6.94,;7.87,-6.2,;-.05,-3.24,;-.86,-1.94,;-.77,-4.6,;-2.31,-4.64,;-3.04,-6,;-2.63,-7.49,;-3.9,-8.34,;-5.12,-7.39,;-4.59,-5.95,)|

BDBM50324503

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 |(7.53,-1.38,;6.23,-2.19,;4.87,-1.48,;3.57,-2.29,;2.09,-1.85,;1.23,-3.12,;2.17,-4.34,;3.62,-3.82,;4.97,-4.55,;6.27,-3.74,;7.64,-4.46,;8.94,-3.65,;4.94,-6.08,;3.58,-6.82,;3.55,-8.36,;4.88,-9.16,;4.84,-10.7,;6.23,-8.41,;6.25,-6.87,;7.6,-6.13,;-.32,-3.16,;-1.13,-1.86,;-1.04,-4.53,;-2.58,-4.57,;-3.39,-3.26,;-4.93,-3.29,;-5.44,-1.83,;-4.21,-.9,;-2.95,-1.78,)|

BDBM50324496

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ncco1 |(10.73,-.55,;9.42,-1.37,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;4.42,-2.29,;5.37,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.92,;10.83,-3.64,;12.14,-2.83,;8.13,-5.26,;6.78,-5.99,;6.75,-7.53,;8.07,-8.34,;8.04,-9.87,;9.42,-7.58,;9.45,-6.05,;10.79,-5.3,;2.88,-2.34,;2.07,-1.03,;2.15,-3.7,;.61,-3.75,;-.12,-5.1,;-1.66,-5.12,;-2.12,-6.59,;-.87,-7.48,;.37,-6.56,)|

BDBM50324498

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccn(C)n1 |(9.34,-1.14,;8.03,-1.95,;6.67,-1.24,;5.37,-2.04,;3.9,-1.61,;3.03,-2.88,;3.97,-4.1,;5.42,-3.58,;6.77,-4.31,;8.08,-3.5,;9.44,-4.22,;10.75,-3.41,;6.74,-5.84,;5.39,-6.58,;5.36,-8.12,;6.68,-8.92,;6.83,-10.51,;8.03,-8.16,;8.06,-6.63,;9.4,-5.89,;1.48,-2.92,;.68,-1.62,;.76,-4.28,;-.78,-4.33,;-1.64,-5.6,;-3.12,-5.16,;-3.16,-3.62,;-4.44,-2.76,;-1.72,-3.11,)|

BDBM50324502

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccnn1C |(7.53,-1.38,;6.23,-2.19,;4.87,-1.48,;3.57,-2.29,;2.09,-1.85,;1.23,-3.12,;2.17,-4.34,;3.61,-3.82,;4.97,-4.55,;6.27,-3.74,;7.63,-4.46,;8.94,-3.65,;4.94,-6.08,;3.58,-6.82,;3.55,-8.36,;4.87,-9.16,;4.84,-10.7,;6.23,-8.4,;6.25,-6.87,;7.6,-6.13,;-.32,-3.16,;-1.13,-1.86,;-1.04,-4.52,;-2.58,-4.57,;-3.45,-5.84,;-4.94,-5.4,;-4.98,-3.86,;-3.53,-3.34,;-3.1,-1.87,)|

BDBM50324499

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccon1 |(8.64,-1.31,;7.33,-2.13,;5.97,-1.41,;4.67,-2.22,;3.2,-1.79,;2.33,-3.06,;3.27,-4.28,;4.72,-3.76,;6.07,-4.49,;7.38,-3.68,;8.74,-4.4,;10.04,-3.59,;6.04,-6.02,;4.69,-6.76,;4.66,-8.3,;5.98,-9.1,;6.01,-10.69,;7.33,-8.34,;7.36,-6.81,;8.7,-6.06,;.79,-3.1,;-.02,-1.8,;.06,-4.46,;-1.48,-4.51,;-2.34,-5.78,;-3.82,-5.34,;-3.86,-3.8,;-2.42,-3.29,)|

BDBM50324508

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1nc(cs1)-c1cccnc1 |(10.76,-1,;9.46,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.49,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.23,-5.46,;-1.7,-5.02,;-1.75,-3.48,;-.3,-2.97,;-2.84,-6.06,;-2.83,-7.6,;-4.15,-8.37,;-5.5,-7.61,;-5.51,-6.06,;-4.17,-5.29,)|

BDBM50323182

Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(12.82,5.09,;11.49,4.32,;10.15,5.09,;8.82,4.31,;7.35,4.78,;6.45,3.53,;7.36,2.28,;8.83,2.77,;10.16,2.01,;11.49,2.78,;12.83,2.02,;14.16,2.79,;10.17,.48,;8.84,-.3,;8.84,-1.84,;10.17,-2.61,;10.17,-4.15,;11.51,-1.84,;11.5,-.29,;12.84,.49,;4.91,3.52,;4.13,4.85,;2.59,4.84,;1.83,3.5,;2.62,2.16,;4.15,2.18,)|

BDBM50323184

Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 |(43.09,4.27,;41.75,3.5,;40.42,4.26,;39.08,3.49,;37.61,3.96,;36.71,2.7,;37.63,1.46,;39.09,1.95,;40.42,1.19,;41.76,1.96,;43.09,1.19,;44.42,1.96,;40.43,-.35,;39.1,-1.12,;39.1,-2.66,;40.44,-3.44,;40.44,-4.98,;41.77,-2.66,;41.77,-1.11,;43.1,-.34,;35.17,2.69,;34.41,1.35,;34.39,4.02,;32.85,4.01,;32.07,5.33,;30.53,5.32,;29.77,3.98,;30.56,2.65,;32.09,2.67,)|

BDBM50323188

Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCCC1 |(43.1,-9.38,;41.77,-10.15,;40.43,-9.39,;39.1,-10.16,;37.62,-9.69,;36.73,-10.95,;37.64,-12.19,;39.11,-11.7,;40.44,-12.46,;41.77,-11.69,;43.11,-12.46,;44.44,-11.69,;40.45,-14,;39.12,-14.77,;39.12,-16.31,;40.45,-17.09,;40.45,-18.63,;41.79,-16.31,;41.78,-14.76,;43.11,-13.99,;35.19,-10.96,;34.28,-9.73,;32.81,-10.21,;32.83,-11.75,;34.29,-12.22,)|

BDBM50323191

Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C |(40.71,-27.16,;39.38,-27.93,;38.04,-27.17,;36.71,-27.94,;35.24,-27.47,;34.34,-28.73,;35.25,-29.97,;36.72,-29.48,;38.05,-30.24,;39.39,-29.47,;40.72,-30.24,;42.05,-29.47,;38.06,-31.78,;36.73,-32.55,;36.73,-34.09,;38.06,-34.87,;38.06,-36.41,;39.4,-34.09,;39.4,-32.54,;40.73,-31.77,;32.8,-28.74,;32.02,-27.41,;30.48,-27.42,;29.72,-28.76,;30.51,-30.09,;32.04,-30.07,;28.18,-28.77,;27.42,-30.11,;27.4,-27.44,;25.86,-27.45,;25.08,-26.13,;25.1,-28.79,;24.31,-27.44,)|

BDBM50323192

Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCNCC1 |(9.44,-38.95,;8.11,-39.72,;6.77,-38.96,;5.43,-39.73,;3.96,-39.26,;3.06,-40.52,;3.98,-41.76,;5.44,-41.28,;6.78,-42.04,;8.11,-41.26,;9.45,-42.03,;10.78,-41.26,;6.79,-43.57,;5.46,-44.34,;5.46,-45.89,;6.79,-46.66,;6.79,-48.2,;8.13,-45.88,;8.12,-44.33,;9.45,-43.56,;1.52,-40.53,;.75,-39.2,;-.79,-39.21,;-1.55,-40.55,;-.77,-41.88,;.77,-41.86,)|

BDBM50323189

Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCOCC1 |(1.61,-23.89,;.28,-24.66,;-1.05,-23.9,;-2.39,-24.67,;-3.86,-24.2,;-4.76,-25.46,;-3.84,-26.7,;-2.38,-26.22,;-1.05,-26.98,;.29,-26.2,;1.62,-26.97,;2.95,-26.2,;-1.04,-28.51,;-2.37,-29.28,;-2.37,-30.83,;-1.03,-31.6,;-1.04,-33.14,;.3,-30.82,;.3,-29.27,;1.63,-28.5,;-6.3,-25.47,;-7.08,-24.14,;-8.62,-24.15,;-9.38,-25.49,;-8.59,-26.82,;-7.05,-26.8,)|

BDBM50323190

Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCSCC1 |(18.45,-25.01,;17.12,-25.78,;15.79,-25.01,;14.45,-25.79,;12.98,-25.32,;12.08,-26.58,;12.99,-27.82,;14.46,-27.33,;15.79,-28.09,;17.13,-27.32,;18.46,-28.09,;19.79,-27.31,;15.8,-29.63,;14.47,-30.4,;14.47,-31.94,;15.81,-32.71,;15.8,-34.25,;17.14,-31.94,;17.14,-30.39,;18.47,-29.62,;10.54,-26.59,;9.76,-25.25,;8.22,-25.26,;7.46,-26.6,;8.25,-27.94,;9.78,-27.92,)|

BDBM50323193

Cc1nc2nccn2c(c1CN)-c1ccc(Cl)cc1Cl |(-.84,5.36,;-2.17,4.59,;-3.5,5.36,;-4.84,4.58,;-6.31,5.05,;-7.21,3.8,;-6.29,2.55,;-4.83,3.04,;-3.5,2.28,;-2.16,3.05,;-.83,2.29,;.5,3.06,;-3.49,.75,;-4.81,-.02,;-4.82,-1.57,;-3.48,-2.34,;-3.48,-3.88,;-2.15,-1.57,;-2.15,-.02,;-.82,.76,)|

BDBM50009349

Cc1ncoc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50009348

Cc1ncsc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM622211

Cc1nn(C)cc1-c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM11949

Cc1nn(c2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)-c1ccc(F)cc1 |r|

BDBM50215319

Cc1nnc2ccc(nn12)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F

BDBM581066

Cc1noc(C)c1-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50338460

Cc1noc(C)c1S(=O)(=O)N(CCCC(F)(F)F)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:18.18,24.26,wD:21.21,(59.62,-41.5,;59.29,-43,;60.32,-44.14,;59.55,-45.47,;58.05,-45.15,;56.91,-46.18,;57.88,-43.63,;56.55,-42.86,;55.77,-41.52,;57.31,-41.52,;55.22,-43.62,;55.22,-45.16,;53.88,-45.93,;53.88,-47.47,;52.54,-48.24,;52.54,-49.78,;51.21,-47.47,;51.2,-49,;53.89,-42.85,;52.55,-43.62,;51.22,-42.85,;51.23,-41.31,;52.55,-40.53,;53.89,-41.31,;49.89,-40.54,;49.89,-39,;48.56,-41.32,;47.23,-40.55,;47.22,-39,;45.89,-38.23,;45.88,-36.69,;44.56,-39.01,;44.55,-40.55,;45.89,-41.32,;45.89,-42.86,)|

BDBM50338459

Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:18.19,24.27,wD:21.22,(43.17,-42.6,;42.85,-44.11,;43.88,-45.25,;43.11,-46.58,;41.61,-46.25,;40.46,-47.29,;41.44,-44.73,;40.11,-43.96,;39.33,-42.62,;40.87,-42.62,;38.78,-44.73,;38.77,-46.27,;37.44,-47.04,;36.11,-46.26,;34.78,-47.02,;34.77,-48.56,;36.11,-49.34,;37.44,-48.57,;37.44,-43.96,;36.11,-44.72,;34.78,-43.95,;34.79,-42.42,;36.11,-41.64,;37.45,-42.41,;33.45,-41.65,;33.45,-40.11,;32.12,-42.42,;30.78,-41.65,;30.78,-40.1,;29.44,-39.34,;29.44,-37.8,;28.11,-40.11,;28.11,-41.65,;29.45,-42.43,;29.45,-43.97,)|

BDBM50401513

Cc1sc(nc1-c1ccccc1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|

BDBM50556519

Clc1ccc(CCNc2cc(nc3ccnn23)N2CCNCC2)c(Cl)c1

BDBM50556518

Clc1ccc(Nc2cc(nc3ccnn23)N2CCNCC2)c(Cl)c1

BDBM50326386

Clc1ccc(cc1)C1=CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r,t:8|

BDBM50326377

Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|

BDBM50434164

Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50434168

Clc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

BDBM50434162

Clc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50434170

Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|

BDBM50332236

Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O |r|

BDBM16285

Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|

BDBM50332235

Cn1c(=O)n(CCCO)c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r|

BDBM50390177

Cn1c(cc2ccccc12)C(=O)N1CCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50215346

Cn1c(nc2ccc(nc12)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F)C1CC1

BDBM50222473

Cn1c2CCN(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)C(C)(C)c2nc1C(F)(F)F

BDBM50222469

Cn1c2CCN(C(C3CC3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|

BDBM50222484

Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|

BDBM50222470

Cn1c2CCN(C(Cc3ccccc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|

BDBM50222482

Cn1c2CCN(Cc2nc1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F

BDBM50222475

Cn1c2CCN(Cc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F

BDBM50222487

Cn1c2CN(CCc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F

BDBM50351402

Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|

BDBM50332231

Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r|

BDBM50332237

Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O |r|

BDBM50391433

Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r|

BDBM50102852

Cn1c2cccc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O |r|

BDBM50101332

Cn1c2nc(CO)cc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O |r|

BDBM50101385

Cn1c2nc(cc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O)C(F)(F)F |r|

BDBM50102843

Cn1c2nc(cc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O)C(N)=O |r|

BDBM50102841

Cn1c2nc(cc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O)C(O)=O |r|

BDBM50102868

Cn1c2nc(cc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O)N1CCCC1 |r|

BDBM50102866

Cn1c2nc(cc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O)N1CCOCC1 |r|

BDBM50102855

Cn1c2nc3ccccc3c(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O |r|

BDBM50102845

Cn1c2nccc(N3CC(N)C3)c2n(Cc2ccccc2C#N)c1=O

BDBM50102867

Cn1c2nccc(N3CCCCC(N)C3)c2n(Cc2ccccc2C#N)c1=O

BDBM50102857

Cn1c2nccc(N3CCCNCC3)c2n(Cc2ccccc2C#N)c1=O

BDBM50102847

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccc(Cl)cc2C#N)c1=O |r|

BDBM50102840

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccc(cc2)C#N)c1=O |r|

BDBM50102846

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccc3ccccc3c2C#N)c1=O |r|

BDBM50102842

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2cccc(c2)C#N)c1=O |r|

BDBM50102862

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c(=O)c1=O |r|

BDBM50102865

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O |r|

BDBM50102863

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=S |r|

BDBM50102839

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2Cl)c1=O |r|

BDBM50102838

Cn1c2nccc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2F)c1=O |r|

BDBM50102849

Cn1c2nccc(N3CCC[C@H](N)C3)c2n(Cc2ccccc2C#N)c1=O |r|

BDBM50102861

Cn1c2nccc(N3CCNCC3)c2n(Cc2ccccc2C#N)c1=O

BDBM50102844

Cn1c2nccc(N3CC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O |r|

BDBM50102859

Cn1c2nccc(NC3CCNCC3)c2n(Cc2ccccc2C#N)c1=O

BDBM50102853

Cn1c2ncnc(N3CCC[C@@H](N)C3)c2n(Cc2ccccc2C#N)c1=O |r|

BDBM581072

Cn1cc(cn1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM581070

Cn1ccc2cc(ccc12)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50222477

Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|

BDBM50332240

Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c1=O |r|

BDBM50332239

Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r|

BDBM50332230

Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3C#N)c2c1=O |r|

BDBM50401516

Cn1cncc1-c1cccc(c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|

BDBM50009345

Cn1cncc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM11959

Cn1nc(c2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)F |r|

BDBM11955

Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)-c1ccc(F)cc1 |r|

BDBM11952

Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)C(F)(F)F |r|

BDBM11945

Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)F |r|

BDBM11956

Cn1nc2CCN(Cc2c1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM11953

Cn1nc2CCN(Cc2c1C(F)(F)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM11946

Cn1nc2CCN(Cc2c1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM11961

Cn1nc2CN(CCc2c1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

BDBM50215350

Cn1nc2ccc(nn2c1=O)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F

BDBM581093

FC(F)(F)Oc1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

BDBM50434167

FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

BDBM50388112

FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)c2ccccc2n1 |r|

BDBM50326379

FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|

BDBM642349

FC(F)(F)c1ccc2c(ccnc2c1)C(=O)NCC(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

BDBM50326382

FC(F)(F)c1cn2CCN(Cc2n1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|

BDBM50326383

FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|

BDBM50249479

FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|

BDBM50382283

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|

BDBM581100

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccc4C(=O)NCCc4c3)cc12 |r|

BDBM581099

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccc4NC(=O)CCc4c3)cc12 |r|

BDBM581119

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccc4NCCc4c3)cc12 |r|

BDBM581116

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccc4[nH]ncc4c3)cc12 |r|

BDBM581109

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccc4ncccc4c3)cc12 |r|

BDBM581076

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccccc3)cc12 |r|

BDBM581083

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccccn3)cc12 |r|

BDBM581082

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3cccnc3)cc12 |r|

BDBM581081

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccncc3)cc12 |r|

BDBM581107

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1c[nH]c2ccccc12 |r|

BDBM581079

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc(=O)[nH]c1 |r|

BDBM581063

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1 |r|

BDBM581087

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc(nc1)C1CC1 |r|

BDBM581080

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2C(=O)NCCc2c1 |r|

BDBM581108

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2C(=O)NCc2c1 |r|

BDBM581111

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2CCNC(=O)c2c1 |r|

BDBM581118

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2CNCCc2c1 |r|

BDBM581078

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2NC(=O)CCc2c1 |r|

BDBM581110

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2NC(=O)Cc2c1 |r|

BDBM581117

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2NCCCc2c1 |r|

BDBM581074

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2NCCc2c1 |r|

BDBM581086

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2OCCOc2c1 |r|

BDBM581071

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2[nH]ccc2c1 |r|

BDBM581105

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2[nH]ncc2c1 |r|

BDBM581065

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2cc(Cl)ccc2c1 |r|

BDBM581113

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1cccc2C(=O)NCCc12 |r|

BDBM581112

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1cccc2NC(=O)CCc12 |r|

BDBM581064

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccccc1 |r|

BDBM581067

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1cccnc1 |r|

BDBM581068

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccncc1 |r|

BDBM581073

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1cnn(c1)C1CC1 |r|

BDBM50009366

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|

BDBM50251491

FC1(F)C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|

BDBM50326392

FC1(F)C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|

BDBM622111

FC[C@@H]1CN(CCO1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM622109

FC[C@H]1CN(CCO1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|

BDBM50251787

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1c(F)cccc1C#N |r|

BDBM50251681

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)c(C#N)c(F)c1 |r|

BDBM50251818

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|

BDBM50251819

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(c1)C#N |r|

BDBM50251683

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(Cl)c1 |r|

BDBM50251643

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(F)c1 |r|

BDBM50251817

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(F)cc1C#N |r|

BDBM50251641

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1)C#N |r|

BDBM50251789

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C#N)C(F)(F)F |r|

BDBM50251684

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C(F)(F)F)C#N |r|

BDBM50251682

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1Cl)C#N |r|

BDBM50251642

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1F)C#N |r|

BDBM50251466

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|

BDBM50251465

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C(F)(F)F |r|

BDBM50251758

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r|

BDBM50251788

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(F)c1C#N |r|

BDBM50251786

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r|

BDBM50251757

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccc1C#N |r|

BDBM50251855

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cnc2ccccc2n1 |r|

BDBM50251411

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nc2ccccc2o1 |r|

BDBM50251410

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nc2ccccc2s1 |r|

BDBM50251853

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|

BDBM50251468

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccc1C#N |r|

BDBM50251852

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccn1 |r|

BDBM50251854

F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccs1 |r|

BDBM50326391

F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1 |r|

BDBM50326390

F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|

BDBM50556520

Fc1ccc(CNc2cc(nc3ccnn23)N2CCNCC2)c(F)c1

BDBM50556515

Fc1ccc(Nc2cc(nc3ccnn23)N2CCNCC2)c(F)c1

BDBM50326384

Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|

BDBM50326378

Fc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|

BDBM514543

Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CCCCN1 |r|

BDBM50198847

Fc1ccc2N(CCc2c1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1

BDBM50434166

Fc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

BDBM50326397

NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|

BDBM11195

NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

BDBM50251721

NC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM12655

NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|

BDBM12653

NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|

BDBM12654

NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|

BDBM50221446

NC(CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:1.0,14.16|

BDBM514548

NC1(CCNCC1)C(=O)N1CCSC1

BDBM514546

NC1(CCNCC1)C(=O)N1Cc2ccc(F)cc2C1

BDBM514547

NC1(CCNCC1)C(=O)N1Cc2ccccc2C1

BDBM13800

NC1CCCN(C1)c1nc2c(C(=O)c3ccccc3C2=O)n1Cc1ccccc1C(F)(F)F

BDBM50118931

NCC(=O)N1CCCC1

BDBM50050511

NCC(=O)N1CCC[C@H]1B(O)O |r|

BDBM50243603

NCCCC[C@H](N)C(=O)N1CCC(C1)N=[N+]=[N-] |r|

BDBM50243457

NCCCC[C@H](N)C(=O)N1CCCC1 |r|

BDBM50243558

NCCCC[C@H](N)C(=O)N1CCCCC1 |r|

BDBM50050516

NCCCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O

BDBM50243604

NCCCC[C@H](N)C(=O)N1CCC[C@H]1C#N |r|

BDBM50243606

NCCCC[C@H](N)C(=O)N1CCCc2ccccc12 |r|

BDBM50243559

NCCCC[C@H](N)C(=O)N1CCSC1 |r|

BDBM50243650

NCCCC[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|

BDBM514544

NCCCC[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM50243132

NCCCC[C@H](N)C(=O)N1Cc2ccccc2C1 |r|

BDBM50171555

NCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O

BDBM50196929

NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12

BDBM50447693

NC[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1cccc(Cl)c1 |r,wU:2.15,wD:5.8,(9.26,-3.87,;7.94,-4.67,;7.97,-6.23,;9.28,-5.42,;10.63,-6.16,;10.67,-7.7,;9.35,-8.5,;8.01,-7.77,;12.02,-8.44,;12.05,-9.98,;13.39,-10.72,;14.71,-9.93,;14.68,-8.39,;13.33,-7.64,;6.62,-5.5,;5.3,-6.31,;3.95,-5.57,;3.91,-4.03,;5.23,-3.23,;5.2,-1.69,;6.58,-3.96,)|

BDBM50447695

NC[C@@]1(CC[C@@H](CC1)N1CCCCC1=O)c1cccc(Cl)c1 |r,wU:2.16,wD:5.8,(9.26,-3.88,;7.94,-4.67,;7.97,-6.23,;9.28,-5.42,;10.63,-6.16,;10.67,-7.71,;9.36,-8.5,;8.01,-7.77,;12.02,-8.44,;12.05,-9.98,;13.39,-10.72,;14.71,-9.93,;14.68,-8.39,;13.33,-7.64,;13.29,-6.1,;6.62,-5.5,;5.3,-6.31,;3.95,-5.57,;3.91,-4.03,;5.23,-3.23,;5.2,-1.69,;6.58,-3.96,)|

BDBM50447700

NC[C@@]1(CC[C@@H](CC1)N1CCc2c(C1)nc(nc2C1CC1)C(F)(F)F)c1cccc(Cl)c1 |r,wU:2.28,wD:5.8,(2.86,-13.16,;1.54,-13.95,;1.58,-15.51,;2.88,-14.7,;4.24,-15.45,;4.28,-16.99,;2.96,-17.79,;1.61,-17.05,;5.63,-17.73,;5.65,-19.27,;7,-20.01,;8.32,-19.21,;8.29,-17.67,;6.93,-16.92,;9.59,-16.87,;10.94,-17.61,;10.98,-19.15,;9.66,-19.95,;9.69,-21.49,;8.96,-22.83,;10.5,-22.8,;12.25,-16.8,;13.6,-17.54,;12.21,-15.26,;13.58,-16.02,;.22,-14.78,;-1.11,-15.59,;-2.46,-14.85,;-2.49,-13.31,;-1.17,-12.51,;-1.21,-10.97,;.18,-13.24,)|

BDBM50447696

NC[C@@]1(CC[C@@H](CC1)N1CCc2c(nc(nc2C1=O)C(F)(F)F)C1CC1)c1cccc(Cl)c1 |r,wU:2.29,wD:5.8,(2.86,-13.16,;1.54,-13.95,;1.58,-15.51,;2.88,-14.7,;4.24,-15.45,;4.28,-16.99,;2.96,-17.79,;1.61,-17.05,;5.63,-17.73,;5.65,-19.27,;7,-20.01,;8.32,-19.21,;9.66,-19.95,;10.98,-19.15,;10.94,-17.61,;9.59,-16.87,;8.29,-17.67,;6.93,-16.92,;6.9,-15.38,;12.25,-16.8,;13.6,-17.54,;12.21,-15.26,;13.58,-16.02,;9.69,-21.49,;8.96,-22.83,;10.5,-22.8,;.22,-14.78,;-1.11,-15.59,;-2.46,-14.85,;-2.49,-13.31,;-1.17,-12.51,;-1.21,-10.97,;.18,-13.24,)|

BDBM50447697

NC[C@@]1(CC[C@@H](CC1)N1CCn2c(C1)nnc2C(F)(F)F)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(24,-3.43,;22.69,-4.22,;22.72,-5.78,;24.03,-4.97,;25.38,-5.71,;25.42,-7.26,;24.1,-8.05,;22.75,-7.32,;26.77,-7.99,;26.79,-9.53,;28.14,-10.27,;29.46,-9.47,;29.43,-7.94,;28.07,-7.19,;30.88,-7.43,;31.81,-8.66,;30.93,-9.92,;31.44,-11.37,;30.43,-12.54,;32.95,-11.66,;32.2,-12.7,;21.37,-5.05,;20.05,-5.86,;18.69,-5.12,;18.66,-3.58,;19.98,-2.78,;19.94,-1.24,;21.32,-3.51,)|

BDBM50447694

NC[C@@]1(CC[C@@H](CC1)N1CCn2c(nnc2C(F)(F)F)C1=O)c1cccc(Cl)c1 |r,wU:2.24,wD:5.8,(24.01,-3.43,;22.69,-4.22,;22.72,-5.78,;24.03,-4.97,;25.38,-5.72,;25.42,-7.26,;24.11,-8.06,;22.76,-7.32,;26.77,-8,;26.8,-9.54,;28.14,-10.28,;29.46,-9.48,;29.43,-7.94,;30.88,-7.43,;31.81,-8.66,;30.94,-9.92,;31.44,-11.37,;30.44,-12.54,;32.96,-11.66,;32.21,-12.7,;28.08,-7.19,;28.04,-5.65,;21.37,-5.05,;20.05,-5.86,;18.7,-5.12,;18.66,-3.58,;19.98,-2.78,;19.94,-1.24,;21.33,-3.51,)|

BDBM50447691

NC[C@@]1(CC[C@@H](CC1)n1nc(ccc1=O)-c1ccccc1)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.48,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.72,;15.8,-13.18,;14.45,-12.43,;14.41,-10.89,;14.54,-17.05,;13.22,-17.84,;13.25,-19.37,;14.6,-20.12,;15.92,-19.32,;15.88,-17.78,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)|

BDBM50447699

NC[C@@]1(CC[C@@H](CC1)n1nc(ccc1=O)-c1cccnc1)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.48,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.72,;15.8,-13.18,;14.45,-12.43,;14.41,-10.89,;14.54,-17.05,;13.22,-17.84,;13.25,-19.37,;14.6,-20.12,;15.92,-19.32,;15.88,-17.78,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)|

BDBM50447692

NC[C@@]1(CC[C@@H](CC1)n1ncccc1=O)c1cccc(Cl)c1 |r,wU:2.16,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.47,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.71,;15.8,-13.17,;14.45,-12.43,;14.41,-10.89,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)|

BDBM50310584

NN(CC(=O)N1CSC[C@H]1C#N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 |r|

BDBM50338432

NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|

BDBM11644

N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r|

BDBM514545

N[C@@H](C1CCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM11642

N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

BDBM142093

N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM514537

N[C@@H](C1CCCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM12192

N[C@@H](C1CCCCC1)C(=O)N1Cc2ccccc2C1 |r|

BDBM50206820

N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F

BDBM50206821

N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F

BDBM50296754

N[C@@H](CC(=O)N1CCC[C@H]1CN(C1CC1)S(=O)(=O)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50296769

N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50296768

N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50296133

N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1)Cc1cc(F)c(F)cc1F |r|

BDBM50296132

N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1)Cc1cccc(Cl)c1 |r|

BDBM50296767

N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCC1)Cc1cc(F)c(F)cc1F |r|

BDBM50296766

N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCCC1)Cc1cc(F)c(F)cc1F |r|

BDBM50296762

N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50296757

N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50296120

N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F |r|

BDBM50296141

N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)C1CC1)Cc1cccc(Cl)c1 |r|

BDBM50296756

N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50296135

N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)c1ccccc1)Cc1cccc(Cl)c1 |r|

BDBM50296134

N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)c1ccccc1)Cc1ccccc1F |r|

BDBM50296778

N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(F)cn1)Cc1cc(F)c(F)cc1F |r|

BDBM50296781

N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F |r|

BDBM50296777

N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(nc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50296775

N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncc(F)cn1)Cc1cc(F)c(F)cc1F |r|

BDBM50296774

N[C@@H](CC(=O)N1CCC[C@H]1CNc1nccc(n1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50296779

N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccc1C#N)Cc1cc(F)c(F)cc1F |r|

BDBM50296776

N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccn1)Cc1cc(F)c(F)cc1F |r|

BDBM50296770

N[C@@H](CC(=O)N1CCC[C@H]1COCC1CC1)Cc1cc(F)c(F)cc1F |r|

BDBM50296772

N[C@@H](CC(=O)N1CCC[C@H]1COc1cc(ccn1)C#N)Cc1cc(F)c(F)cc1F |r|

BDBM50296773

N[C@@H](CC(=O)N1CCC[C@H]1COc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F |r|

BDBM50296771

N[C@@H](CC(=O)N1CCC[C@H]1COc1ccnc(n1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50302957

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(CC2CC2)no1)Cc1cc(F)c(F)cc1F |r|

BDBM50302963

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ccccn1)Cc1cc(F)c(F)cc1F |r|

BDBM50302964

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1cnccn1)Cc1cc(F)c(F)cc1F |r|

BDBM50302966

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncc(F)cc1F)Cc1cc(F)c(F)cc1F |r|

BDBM50302965

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncccn1)Cc1cc(F)c(F)cc1F |r|

BDBM50302958

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50302955

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1CC1)Cc1cc(F)c(F)cc1F |r|

BDBM50302960

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCCC1)Cc1cc(F)c(F)cc1F |r|

BDBM50302959

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCOCC1)Cc1cc(F)c(F)cc1F |r|

BDBM50302968

N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50302970

N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|

BDBM50302969

N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(O)CC1)Cc1cc(F)c(F)cc1F |r|

BDBM50302967

N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1CC1)Cc1cc(F)c(F)cc1F |r|

BDBM11963

N[C@@H](CC(=O)N1CCCc2n[nH]c(c12)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM50390180

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cc(Cl)ccn1)Cc1cc(F)c(F)cc1F |r|

BDBM50390175

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cc(O)c2cccc(O)c2n1)Cc1cc(F)c(F)cc1F |r|

BDBM50390178

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cc2ccccc2o1)Cc1cc(F)c(F)cc1F |r|

BDBM50390176

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cc2ccccc2s1)Cc1cc(F)c(F)cc1F |r|

BDBM50390174

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(=O)[nH]c1)Cc1cc(F)c(F)cc1F |r|

BDBM50390170

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc2ccccc2n1)Cc1cc(F)c(F)cc1F |r|

BDBM50390179

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc2cccnc2n1)Cc1cc(F)c(F)cc1F |r|

BDBM50390181

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cccc(F)n1)Cc1cc(F)c(F)cc1F |r|

BDBM50390184

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |r|

BDBM50390172

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccccn1)Cc1cc(F)c(F)cc1F |r|

BDBM50390169

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccco1)Cc1cc(F)c(F)cc1F |r|

BDBM50390173

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cnccn1)Cc1cc(F)c(F)cc1F |r|

BDBM50390182

N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ncc(F)cc1F)Cc1cc(F)c(F)cc1F |r|

BDBM12183

N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50350169

N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|

BDBM514536

N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|

BDBM50390183

N[C@@H](CC(=O)N1CCN(CC1)c1ccc(F)cc1F)Cc1cc(F)c(F)cc1F |r|

BDBM11954

N[C@@H](CC(=O)N1CCc2[nH]nc(c2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|

BDBM11958

N[C@@H](CC(=O)N1CCc2c(C1)[nH]nc2C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11947

N[C@@H](CC(=O)N1CCc2c(C1)c(nn2CC(F)(F)F)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11960

N[C@@H](CC(=O)N1CCc2c(C1)n[nH]c2C1CC1)Cc1cc(F)ccc1F |r|

BDBM50222483

N[C@@H](CC(=O)N1CCc2c(C1)nc(n2Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)ccc1F

BDBM11962

N[C@@H](CC(=O)N1CCc2c(C1)noc2C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11951

N[C@@H](CC(=O)N1CCc2n[nH]c(c2C1)C(F)(F)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11944

N[C@@H](CC(=O)N1CCc2n[nH]c(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM50222471

N[C@@H](CC(=O)N1CCc2nc([nH]c2C1)-c1ccccc1)Cc1cc(F)ccc1F

BDBM50222480

N[C@@H](CC(=O)N1CCc2nc([nH]c2C1)C(F)(F)F)Cc1cc(F)ccc1F

BDBM50222479

N[C@@H](CC(=O)N1CCc2nc(n(Cc3ccc(F)cc3)c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11970

N[C@@H](CC(=O)N1CCc2nc(oc2C1)C1CC1)Cc1cc(F)ccc1F |r|

BDBM11966

N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|

BDBM11967

N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11965

N[C@@H](CC(=O)N1CCc2nc(sc2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11948

N[C@@H](CC(=O)N1CCc2nn(CC(F)(F)F)c(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11957

N[C@@H](CC(=O)N1CCc2noc(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11975

N[C@@H](CC(=O)N1CCc2oc(nc2C1)C1CC1)Cc1cc(F)ccc1F |r|

BDBM11972

N[C@@H](CC(=O)N1CCc2sc(nc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|

BDBM11973

N[C@@H](CC(=O)N1CCc2sc(nc2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM11971

N[C@@H](CC(=O)N1CCc2sc(nc2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM50210672

N[C@@H](CC(=O)N1CCn2c(C1)nnc2-c1ccc(F)cc1)Cc1cc(F)ccc1F

BDBM50210668

N[C@@H](CC(=O)N1CCn2c(C1)nnc2-c1ccc(F)cc1F)Cc1cc(F)ccc1F

BDBM50210648

N[C@@H](CC(=O)N1CCn2c(C1)nnc2-c1ccncc1)Cc1cc(F)ccc1F

BDBM11163

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50210654

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1c(F)c(F)c(F)c(F)c1F

BDBM50210658

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1c(F)cc(F)cc1F |r|

BDBM50210653

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1c(F)ccc(F)c1F |r|

BDBM50210664

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(Cl)ccc1Cl

BDBM15561

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(Cl)ccc1F |r|

BDBM50210669

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(Cl)cc1F

BDBM50210643

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1Cl

BDBM11162

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50210655

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)cc(F)c1F |r|

BDBM11160

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)ccc1F |r|

BDBM50210656

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(Cl)c(Cl)c1

BDBM50210660

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(Cl)cc1

BDBM50210657

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(Cl)cc1Cl

BDBM11159

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(F)c(F)c1 |r|

BDBM50210645

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(F)cc1

BDBM50210665

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(F)cc1F

BDBM50210667

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(cc1)C(F)(F)F

BDBM50210650

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cccc(Cl)c1

BDBM50210662

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cccc(F)c1

BDBM50210659

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cccc(c1)C(F)(F)F

BDBM50210644

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1C(F)(F)F

BDBM50210661

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1Cl

BDBM50210663

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1F |r|

BDBM50210649

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)F)Cc1cc(F)c(F)cc1F

BDBM50210647

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C1CC1)Cc1cc(F)c(F)cc1F

BDBM11164

N[C@@H](CC(=O)N1CCn2c(CC(F)(F)F)nnc2C1)Cc1cc(F)ccc1F |r|

BDBM50210670

N[C@@H](CC(=O)N1CCn2c(CO)nnc2C1)Cc1cc(F)ccc1F

BDBM50232506

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20|

BDBM50232508

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19|

BDBM50232514

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC=C)Cc1cc(F)c(F)cc1F |w:17.19|

BDBM50232519

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19|

BDBM50232510

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F |w:17.19|

BDBM50232520

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19|

BDBM50232501

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F |w:17.19|

BDBM50232518

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F |w:17.19|

BDBM50232512

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F

BDBM50371255

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F |r|

BDBM11161

N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1cc(F)c(F)cc1F |r|

BDBM11157

N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1ccc(F)c(F)c1 |r|

BDBM50221448

N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F

BDBM50221447

N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F

BDBM50221441

N[C@@H](CC(=O)N1CCn2nc(nc2C1)C1CC1)Cc1cc(F)c(F)cc1F

BDBM50221442

N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cccn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|

BDBM50221449

N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1ccnc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|

BDBM50221453

N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|

BDBM50221445

N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|

BDBM50221440

N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|

BDBM50221451

N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1CC1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F

BDBM50221452

N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F

BDBM50221454

N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(cc1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F

BDBM50221444

N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F

BDBM50221450

N[C@@H](CC(=O)N1CCn2ncnc2C1)Cc1cc(F)c(F)cc1F

BDBM50098903

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1cc(F)c(F)cc1F |r|

BDBM50098904

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(Cl)c(Cl)c1 |r|

BDBM50098905

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(Cl)cc1Cl |r|

BDBM50098907

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(F)cc1 |r|

BDBM50098906

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(I)cc1 |r|

BDBM50098909

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1cccc(F)c1 |r|

BDBM50098997

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccccc1 |r|

BDBM50098910

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccccc1Cl |r|

BDBM50401518

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cncs1)Cc1cc(F)c(F)cc1F |r|

BDBM50401519

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-n1ccnc1)Cc1cc(F)c(F)cc1F |r|

BDBM50401515

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1cc(F)c(F)cc1F |r|

BDBM50275847

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1ccccc1F |r|

BDBM50401511

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccc(F)cc1)Cc1ccccc1F |r|

BDBM50401517

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1cc(F)c(F)cc1F |r|

BDBM50401512

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1ccccc1F |r|

BDBM50275849

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nccs1)Cc1ccccc1F |r|

BDBM514538

N[C@@H](CC(N)=O)C(=O)N1Cc2ccc(F)cc2C1 |r|

BDBM50243411

N[C@@H](CCC(O)=O)C(=O)N1CCCC1 |r|

BDBM50253621

N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM50389469

N[C@@H](CCC(O)=O)C(=O)N1C[C@@H](O)C[C@H]1B(O)O |r|

BDBM50389470

N[C@@H](CCC(O)=O)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|

BDBM50389479

N[C@@H](CCCC(O)=O)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|

BDBM50243186

N[C@@H](CCCCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1Cc2ccccc2C1 |r|

BDBM50242855

N[C@@H](CCCCN(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|

BDBM50243188

N[C@@H](CCCCN(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 |r|

BDBM50243689

N[C@@H](CCCCN(c1cccc2ccccc12)c1cccc2ccccc12)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|

BDBM50251851

N[C@@H](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCCC1 |r|

BDBM50243458

N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|

BDBM50243646

N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50243647

N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCCc2ccccc12 |r|

BDBM50243607

N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCSC1 |r|

BDBM50243185

N[C@@H](CCCCNCc1ccccc1)C(=O)N1Cc2ccccc2C1 |r|

BDBM50243690

N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|

BDBM50243187

N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 |r|

BDBM50326372

N[C@@H](CCCN1Cc2ccccc2C1=O)C(=O)N1CCC[C@H]1C#N |r|

BDBM50243460

N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|

BDBM50146972

N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 |r|

BDBM50146971

N[C@@H](CCNCc1ccccc1Cl)C(=O)N1CCCCC1

BDBM50243454

N[C@@H](CS)C(=O)N1CCCC1 |r|

BDBM50243409

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1 |r|

BDBM50443745

N[C@@H](Cc1cc(F)c(F)cc1F)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443743

N[C@@H](Cc1cc(F)cc(F)c1F)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50449230

N[C@@H](Cc1cc2OCOc2cc1Br)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443750

N[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443751

N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443744

N[C@@H](Cc1ccc(F)c(F)c1F)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443740

N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443761

N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443746

N[C@@H](Cc1ccc(F)cc1F)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443737

N[C@@H](Cc1ccc(N)cc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50243456

N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1 |r|

BDBM50443749

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM11118

N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439585

N[C@@H](Cc1ccc(cc1)-c1cn(CCc2ccccc2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439572

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(Cl)c(Cl)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439577

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(Cl)cc2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439573

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(F)c(F)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439580

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439578

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccc(Cl)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439581

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccc(F)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439586

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439579

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2Cl)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439582

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2F)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439583

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccs2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50439584

N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccncc2)nn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443735

N[C@@H](Cc1ccc(cc1)C#N)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443733

N[C@@H](Cc1ccc(cc1)C#N)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443752

N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443732

N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443736

N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443734

N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443741

N[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443756

N[C@@H](Cc1cccc(c1)C#N)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443755

N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|

BDBM50050515

N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O

BDBM11115

N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443753

N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443758

N[C@@H](Cc1ccccc1C#N)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443748

N[C@@H](Cc1ccccc1C#N)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443757

N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|

BDBM50443747

N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50443742

N[C@@H](Cc1ccccc1F)C(=O)N1CCC[C@H]1C#N |r|

BDBM50449226

N[C@@H](Cc1ccccn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50449233

N[C@@H](Cc1cccs1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50449223

N[C@@H](Cc1ccoc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50449227

N[C@@H](Cc1ccsc1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50243494

N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1 |r|

BDBM50449234

N[C@@H](Cc1csc(n1)-c1ccc(Cl)cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50449236

N[C@@H](Cc1csc(n1)-c1ccc(cc1)C(F)(F)F)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50449224

N[C@@H](Cc1csc(n1)-c1ccccc1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50449225

N[C@@H](Cc1csc(n1)-c1cccs1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50449229

N[C@@H](Cc1csc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|

BDBM50449232

N[C@@H](Cc1csc2ccccc12)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50449228

N[C@@H](Cc1cscn1)C(=O)N1CCC[C@H]1C#N |r|

BDBM50449235

N[C@@H](Cc1cscn1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|

BDBM50338440

N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1 |r,wU:1.0,5.8,wD:2.1,(35.26,-24.16,;35.27,-25.7,;36.6,-26.47,;36.6,-28.01,;37.93,-28.77,;39.26,-28.01,;39.26,-26.47,;37.93,-25.69,;40.59,-28.78,;41.93,-28.01,;41.93,-26.47,;43.26,-28.78,;43.25,-30.32,;44.58,-31.09,;45.92,-30.32,;47.25,-31.09,;47.25,-32.63,;48.59,-33.4,;45.92,-33.4,;47.24,-34.17,;45.92,-28.78,;44.59,-28.01,;33.93,-26.48,;33.94,-28.02,;32.6,-25.71,;31.19,-26.33,;30.16,-25.19,;30.92,-23.86,;32.43,-24.17,)|

BDBM50140533

N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1 |wU:1.0,5.8,wD:2.7,(5.64,-7.78,;5.64,-6.24,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;8.62,-7.74,)|

BDBM50454656

N[C@@H]1CCCN(C1)c1c(Cc2ccccc2C#N)c(Cl)nc2ccnn12 |r|

BDBM50454649

N[C@@H]1CCCN(C1)c1cc(=O)n2nccc2n1Cc1ccccc1C#N |r|

BDBM50556507

N[C@@H]1CCCN(C1)c1cc(NCCc2ccc(Cl)cc2Cl)n2nccc2n1 |r|

BDBM50556506

N[C@@H]1CCCN(C1)c1cc(NCc2ccc(Cl)cc2Cl)n2nccc2n1 |r|

BDBM50556505

N[C@@H]1CCCN(C1)c1cc(NCc2ccc(O)cc2)n2nccc2n1 |r|

BDBM50556504

N[C@@H]1CCCN(C1)c1cc(NCc2ccccc2)n2nccc2n1 |r|

BDBM50556510

N[C@@H]1CCCN(C1)c1cc(Nc2cc(Cl)ccn2)n2nccc2n1 |r|

BDBM50556499

N[C@@H]1CCCN(C1)c1cc(Nc2ccccc2Cl)n2nccc2n1 |r|

BDBM50102856

N[C@@H]1CCCN(C1)c1ccnc2[nH]c(=O)n(Cc3ccccc3C#N)c12 |r|

BDBM50102860

N[C@@H]1CCCN(C1)c1ccnc2oc(=O)n(Cc3ccccc3C#N)c12 |r|

BDBM50381854

N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|

BDBM50381855

N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|

BDBM50381853

N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|

BDBM50283545

N[C@@H]1CCCN(C1)c1nc2cc[nH]c2c(=O)n1Cc1cc(F)ccc1C#N |r|

BDBM50335626

N[C@@H]1CCCN(C1)c1nc2ccsc2c(=O)n1Cc1ccccc1C#N |r|

BDBM50335625

N[C@@H]1CCCN(C1)c1nc2scc(c2c(=O)n1Cc1ccccc1C#N)C(F)(F)F |r|

BDBM50335623

N[C@@H]1CCCN(C1)c1nc2sccc2c(=O)n1Cc1ccccc1C#N |r|

BDBM50379784

N[C@@H]1CCN(C1)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|

BDBM514530

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C1(CC1)C(F)(F)F |r|

BDBM514514

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(C3)C1)C2 |r,TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:1:12:15:18.19.17,20:18:15:21.12.13,20:12:15:18.19.17|

BDBM514515

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(Cl)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|

BDBM514562

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(F)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|

BDBM514532

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|

BDBM50225074

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|

BDBM97578

N[C@H](CN1C(O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C1CCC1 |r|

BDBM97581

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccco1 |r|

BDBM97585

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1cccs1 |r|

BDBM97579

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccncc1 |r|

BDBM97575

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F |r|

BDBM50338439

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(N)=O |r|

BDBM50338438

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O |r|

BDBM50338430

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ccc(F)nc1 |r|

BDBM50338425

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ccccn1 |r|

BDBM50338426

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1 |r|

BDBM50338427

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ccncc1 |r|

BDBM50338436

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cnc(=O)[nH]c1 |r|

BDBM50338428

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N |r|

BDBM50338434

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncnc1 |r|

BDBM50338433

N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ncccn1 |r|

BDBM50338422

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N(CCCC(F)(F)F)Cc1ccccc1 |r,wU:1.0,14.18,wD:11.12,(4.17,-2.53,;4.17,-4.07,;2.84,-4.85,;1.5,-4.08,;1.49,-2.53,;.16,-1.76,;.15,-.22,;-1.17,-2.54,;-1.17,-4.08,;.16,-4.85,;.16,-6.39,;5.5,-4.84,;5.5,-6.38,;6.82,-7.15,;8.16,-6.38,;8.16,-4.84,;6.83,-4.06,;9.49,-7.15,;10.83,-6.39,;12.16,-7.17,;12.15,-8.71,;13.48,-9.48,;13.48,-11.02,;14.82,-8.72,;14.81,-10.25,;9.48,-8.69,;8.14,-9.45,;6.82,-8.67,;5.48,-9.43,;5.47,-10.97,;6.8,-11.75,;8.14,-10.98,)|

BDBM50338407

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC(F)(F)C1 |r,wU:1.0,14.18,wD:11.17,(10.19,-36.27,;10.19,-37.81,;8.86,-38.58,;7.52,-37.81,;7.51,-36.26,;6.18,-35.5,;6.17,-33.96,;4.85,-36.27,;4.85,-37.81,;6.18,-38.58,;6.18,-40.12,;11.52,-38.58,;11.52,-40.11,;12.84,-40.88,;14.18,-40.11,;14.18,-38.57,;12.85,-37.8,;15.51,-40.89,;16.93,-40.26,;17.96,-41.4,;17.18,-42.74,;17.17,-44.27,;18.67,-43.13,;15.68,-42.41,)|

BDBM50338413

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCCC(C1)C(N)=O |r,wU:1.0,14.18,wD:11.17,(39.76,4.71,;39.77,3.17,;38.43,2.4,;37.1,3.17,;37.09,4.72,;35.76,5.48,;35.75,7.02,;34.43,4.71,;34.43,3.17,;35.76,2.4,;35.76,.86,;41.1,2.41,;41.1,.87,;42.42,.1,;43.76,.87,;43.76,2.41,;42.43,3.19,;45.09,.09,;46.42,.87,;47.75,.09,;47.75,-1.45,;46.4,-2.21,;45.08,-1.44,;46.4,-3.75,;47.73,-4.53,;45.06,-4.52,)|

BDBM50338411

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCCCC1 |r,wU:1.0,14.18,wD:11.17,(10.08,4.56,;10.08,3.02,;8.75,2.25,;7.41,3.01,;7.41,4.56,;6.07,5.33,;6.07,6.87,;4.74,4.56,;4.74,3.01,;6.07,2.24,;6.07,.7,;11.41,2.25,;11.41,.71,;12.74,-.05,;14.07,.71,;14.07,2.25,;12.74,3.03,;15.4,-.06,;15.39,-1.6,;16.72,-2.37,;18.06,-1.6,;18.06,-.07,;16.73,.72,)|

BDBM50338414

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@@H](C1)C(N)=O |r,wU:1.0,14.18,wD:11.17,21.25,(-5.48,-4.14,;-5.48,-5.68,;-6.81,-6.45,;-8.14,-5.68,;-8.15,-4.13,;-9.48,-3.37,;-9.49,-1.83,;-10.81,-4.14,;-10.82,-5.68,;-9.48,-6.45,;-9.48,-7.99,;-4.14,-6.45,;-4.15,-7.98,;-2.82,-8.75,;-1.48,-7.98,;-1.48,-6.44,;-2.82,-5.67,;-.15,-8.76,;1.18,-7.98,;2.51,-8.76,;2.51,-10.3,;1.16,-11.06,;-.16,-10.29,;1.15,-12.6,;2.48,-13.38,;-.19,-13.37,)|

BDBM50338417

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@@H](O)C1 |r,wU:1.0,14.18,21.23,wD:11.17,(41.86,-7.7,;41.86,-9.24,;40.53,-10.01,;39.19,-9.24,;39.19,-7.69,;37.85,-6.93,;37.85,-5.39,;36.52,-7.7,;36.52,-9.24,;37.85,-10.02,;37.85,-11.56,;43.19,-10.01,;43.19,-11.54,;44.52,-12.31,;45.85,-11.55,;45.85,-10,;44.52,-9.23,;47.18,-12.32,;48.51,-11.54,;49.84,-12.32,;49.84,-13.86,;48.5,-14.63,;48.49,-16.17,;47.17,-13.85,)|

BDBM50338415

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@H](C1)C(N)=O |r,wU:1.0,14.18,21.25,wD:11.17,(9.64,-4.77,;9.64,-6.31,;8.31,-7.09,;6.98,-6.32,;6.97,-4.77,;5.64,-4,;5.63,-2.46,;4.31,-4.78,;4.3,-6.32,;5.64,-7.09,;5.64,-8.63,;10.98,-7.08,;10.97,-8.62,;12.3,-9.39,;13.64,-8.62,;13.64,-7.08,;12.3,-6.3,;14.97,-9.39,;16.3,-8.62,;17.63,-9.4,;17.63,-10.94,;16.28,-11.7,;14.96,-10.93,;16.27,-13.24,;17.6,-14.02,;14.93,-14,)|

BDBM50338416

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@H](C1)OC(N)=O |r,wU:1.0,14.18,21.25,wD:11.17,(24.9,-6.17,;24.9,-7.71,;23.57,-8.49,;22.24,-7.72,;22.23,-6.17,;20.9,-5.4,;20.89,-3.86,;19.57,-6.18,;19.56,-7.72,;20.9,-8.49,;20.9,-10.03,;26.24,-8.48,;26.23,-10.02,;27.56,-10.79,;28.9,-10.02,;28.9,-8.48,;27.56,-7.7,;30.23,-10.79,;31.56,-10.02,;32.89,-10.8,;32.89,-12.34,;31.54,-13.1,;30.22,-12.33,;31.53,-14.64,;30.19,-15.4,;28.87,-14.63,;30.19,-16.94,)|

BDBM50338409

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCn2c(C1)nnc2C(F)(F)F |r,wU:1.0,14.18,wD:11.12,(29.74,-39.82,;29.74,-41.36,;28.41,-42.13,;27.07,-41.37,;27.07,-39.82,;25.73,-39.05,;25.73,-37.51,;24.4,-39.82,;24.4,-41.37,;25.74,-42.14,;25.74,-43.68,;31.08,-42.13,;31.07,-43.67,;32.4,-44.43,;33.73,-43.67,;33.74,-42.13,;32.4,-41.35,;35.07,-44.44,;35.05,-45.98,;36.38,-46.75,;37.72,-45.98,;37.73,-44.45,;36.39,-43.66,;39.19,-43.97,;40.09,-45.22,;39.19,-46.46,;39.66,-47.92,;38.63,-49.07,;41.17,-48.24,;40.06,-49.4,)|

BDBM50338418

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)NCCCC(F)(F)F |r,wU:14.18,1.0,wD:11.12,(10.38,-8.06,;10.38,-9.6,;9.05,-10.38,;7.71,-9.61,;7.71,-8.06,;6.37,-7.3,;6.37,-5.76,;5.05,-8.07,;5.04,-9.61,;6.38,-10.38,;6.38,-11.92,;11.72,-10.37,;11.71,-11.91,;13.04,-12.68,;14.38,-11.91,;14.38,-10.37,;13.04,-9.59,;15.71,-12.68,;15.7,-14.22,;17.02,-14.99,;17.01,-16.53,;18.34,-17.31,;18.34,-18.85,;19.68,-16.54,;19.67,-18.08,)|

BDBM50338406

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](CC1)N1CCC(F)(F)C1 |r,wU:1.0,wD:11.17,14.18,(7.57,-45.26,;7.57,-46.8,;6.24,-47.57,;4.91,-46.8,;4.9,-45.25,;3.57,-44.49,;3.56,-42.95,;2.24,-45.26,;2.24,-46.8,;3.57,-47.57,;3.57,-49.11,;8.91,-47.57,;8.9,-49.1,;10.23,-49.87,;11.57,-49.1,;11.57,-47.56,;10.23,-46.79,;12.9,-49.88,;14.31,-49.25,;15.34,-50.4,;14.57,-51.73,;14.56,-53.26,;16.05,-52.12,;13.06,-51.4,)|

BDBM50338412

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](CC1)N1CCCC(C1)C(N)=O |r,wU:1.0,wD:11.17,14.18,(24.54,4.65,;24.55,3.11,;23.21,2.34,;21.88,3.11,;21.87,4.66,;20.54,5.42,;20.53,6.96,;19.21,4.65,;19.21,3.11,;20.54,2.34,;20.54,.8,;25.88,2.34,;25.87,.81,;27.2,.04,;28.54,.81,;28.54,2.35,;27.2,3.12,;29.87,.03,;31.2,.81,;32.53,.03,;32.53,-1.51,;31.18,-2.28,;29.86,-1.5,;31.17,-3.81,;32.5,-4.59,;29.84,-4.58,)|

BDBM50338410

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](CC1)N1CCCCC1 |r,wU:1.0,wD:11.17,14.18,(-5.2,4.68,;-5.2,3.14,;-6.53,2.36,;-7.86,3.13,;-7.87,4.68,;-9.2,5.45,;-9.21,6.99,;-10.53,4.67,;-10.54,3.13,;-9.2,2.36,;-9.2,.82,;-3.86,2.37,;-3.87,.83,;-2.54,.06,;-1.2,.83,;-1.2,2.37,;-2.54,3.15,;.13,.06,;.12,-1.48,;1.44,-2.25,;2.79,-1.49,;2.79,.05,;1.46,.83,)|

BDBM50338408

N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](CC1)N1CCn2c(C1)nnc2C(F)(F)F |r,wU:1.0,wD:14.18,11.12,(47.67,-40.49,;47.68,-42.03,;46.34,-42.8,;45.01,-42.03,;45,-40.48,;43.67,-39.72,;43.66,-38.18,;42.34,-40.49,;42.34,-42.04,;43.67,-42.81,;43.67,-44.35,;49.01,-42.8,;49.01,-44.33,;50.33,-45.1,;51.67,-44.34,;51.67,-42.8,;50.34,-42.02,;53,-45.11,;52.99,-46.64,;54.31,-47.42,;55.66,-46.65,;55.66,-45.11,;54.33,-44.33,;57.12,-44.64,;58.03,-45.88,;57.12,-47.13,;57.6,-48.59,;56.57,-49.74,;59.1,-48.91,;57.99,-50.07,)|

BDBM15523

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCC(F)(F)C1 |r|

BDBM15524

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CC[C@@H](O)C1 |r|

BDBM50379790

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|

BDBM15510

N[C@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

BDBM15515

N[C@H]1CN(CCc2cccc(c2)C(O)=O)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

BDBM50338518

N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|

BDBM15494

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)C(O)=O |r|

BDBM15497

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)S(=O)(=O)N1CCOCC1 |r|

BDBM50379789

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|

BDBM50379785

N[C@H]1CN(C[C@@H]1c1cc(F)ccc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|

BDBM50243316

N[C@H]1CN[C@@H](C1)C(=O)N1Cc2ccccc2C1 |r|

BDBM50210526

N[C@H]1C[C@@H](CCC1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F |w:6.7|

BDBM50210527

N[C@H]1C[C@H](CCC1c1cc(F)c(F)cc1F)N1CCn2c(C1)ncc2C(F)(F)F |w:6.7|

BDBM50212927

N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F

BDBM50212926

N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2ccccc2C1

BDBM50212928

N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1

BDBM50212925

N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cncnc2C1

BDBM50611784

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CC2=C(C1)CS(=O)(=O)C2 |r,c:19|

BDBM50296490

N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r|

BDBM233323

O=C(CNC(=O)C1=CC=NC2=NC=CC12)N1CCC[C@H]1C#N |r,c:8,12,t:6,10|

BDBM50009343

O=C(CNC(=O)C1CCNCC1)N1CCC[C@H]1C#N |r|

BDBM233326

O=C(CNC(=O)c1c[nH]c2ccccc12)N1CCCC1C#N

BDBM233325

O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCCC1C#N

BDBM233320

O=C(CNC(=O)c1cccc2ccccc12)N1CCCC1C#N

BDBM50326374

O=C(CNC(=O)c1cccc2ccccc12)N1CCC[C@H]1C#N |r|

BDBM50434189

O=C(CNC(=O)c1cccc2cccnc12)N1CCC[C@H]1C#N |r|

BDBM233329

O=C(CNC(=O)c1cccc2cnccc12)N1CCCC1C#N

BDBM50434159

O=C(CNC(=O)c1cccc2ncccc12)N1CCC[C@H]1C#N |r|

BDBM50009341

O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r|

BDBM50009339

O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N |r|

BDBM50009361

O=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC[C@H]1C#N |r|

BDBM50009332

O=C(CNC(=O)c1ccnc2cc(ccc12)-c1ccccc1)N1CCC[C@H]1C#N |r|

BDBM622203

O=C(CNC(=O)c1ccnc2ccc(cc12)N1CC2(C1)OCCO2)N1CSC[C@H]1C#N |r|

BDBM622151

O=C(CNC(=O)c1ccnc2ccc(cc12)N1CCC2(CCCC2)OC1=O)N1CSC[C@H]1C#N |r|

BDBM622150

O=C(CNC(=O)c1ccnc2ccc(cc12)N1CCC2(CCCCC2)OC1=O)N1CSC[C@H]1C#N |r|

BDBM622107

O=C(CNC(=O)c1ccnc2ccc(cc12)N1CCOCC1)N1CSC[C@H]1C#N |r|

BDBM50009362

O=C(CNC(=O)c1ccnc2cccc(-c3ccccc3)c12)N1CCC[C@H]1C#N |r|

BDBM233328

O=C(CNC(=O)c1ccnc2ccccc12)N1CCCC1C#N

BDBM50434188

O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|

BDBM50009358

O=C(CNC(=O)c1ccnc2cnccc12)N1CCC[C@H]1C#N |r|

BDBM50009357

O=C(CNC(=O)c1ccnc2ncnn12)N1CCC[C@H]1C#N |r|

BDBM50009334

O=C(CNC(=O)c1ccncc1)N1CCC[C@H]1C#N |r|

BDBM233321

O=C(CNC(=O)c1cnc2ccccc2c1)N1CCC[C@H]1C#N |r|

BDBM233327

O=C(CNC(=O)c1cncc2ccccc12)N1CCCC1C#N

BDBM50009346

O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N |r|

BDBM233324

O=C(CNC(=O)c1nc[nH]n1)N1CCC[C@H]1C#N |r|

BDBM50187268

O=C(CNC12CC3CC(CC(C3)C1)C2)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:3:4:11:7.8.9,13:4:11:7.8.9,THB:13:8:5.4.12:11,9:8:5:12.10.11,9:10:5:7.13.8|

BDBM50187258

O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|

BDBM12645

O=C(CNC1CCCC1)N1CCC[C@H]1C#N |r|

BDBM12635

O=C(CNC1CCCC1)N1[C@H](CC[C@H]1C#N)C#C |r|

BDBM12643

O=C(CNC1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r,wU:23.26,wD:7.10,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-9.64,3.43,;-10.96,4.23,;-10.92,5.77,;-9.56,6.51,;-8.25,5.7,;-12.23,6.57,;-13.72,6.17,;-14.36,4.77,;-15.89,4.63,;-16.79,5.88,;-16.14,7.28,;-14.61,7.43,;-18.27,5.48,;-19.76,5.09,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,)|

BDBM12638

O=C(CN[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1[C@H](CC[C@H]1C#N)C#C |r,wU:23.26,20.28,7.10,wD:4.3,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-8.25,5.7,;-9.56,6.51,;-10.92,5.77,;-10.96,4.23,;-9.64,3.43,;-12.23,6.57,;-13.72,6.17,;-14.35,4.77,;-15.88,4.61,;-16.78,5.86,;-16.15,7.26,;-14.62,7.42,;-18.27,5.46,;-19.76,5.06,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,;-3.03,6.87,;-3.8,8.2,)|

BDBM50326394

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCCC1)N1Cc2ccccc2C1 |r|

BDBM50326387

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCCC1 |r|

BDBM50326388

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCCCC1 |r|

BDBM50326385

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCN(CC1)c1ccncc1 |r|

BDBM50326380

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccccc2C1 |r|

BDBM50326381

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1 |r|

BDBM50326375

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|

BDBM50326389

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|

BDBM50326393

O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCSC1)N1Cc2ccccc2C1 |r|

BDBM50326376

O=C(C[C@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|

BDBM50009333

O=C(Cc1c[nH]cn1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50009342

O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50198860

O=C([C@@H]1CCCN1)N1CCSC1

BDBM50243315

O=C([C@@H]1C[C@@H](CN1)N(c1ccc2ccccc2c1)c1ccc2ccccc2c1)N1Cc2ccccc2C1 |r|

BDBM50243244

O=C([C@@H]1C[C@@H](CN1)N(c1cccc2ccccc12)c1cccc2ccccc12)N1Cc2ccccc2C1 |r|

BDBM50206058

O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc(cn1)C#N)N1CCSC1

BDBM50198841

O=C([C@@H]1C[C@@H](CN1)N1CCc2ccccc12)N1CCSC1

BDBM50198854

O=C([C@@H]1C[C@@H](CN1)NCc1ccc(cc1)C#N)N1CCSC1

BDBM50243242

O=C([C@@H]1C[C@@H](CN1)NCc1ccccc1)N1Cc2ccccc2C1 |r|

BDBM50198863

O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCSC1 |r|

BDBM50243245

O=C([C@@H]1C[C@@H](CN1)Nc1ccc2ccccc2c1)N1Cc2ccccc2C1 |r|

BDBM50243243

O=C([C@@H]1C[C@@H](CN1)Nc1cccc2ccccc12)N1Cc2ccccc2C1 |r|

BDBM50243318

O=C([C@@H]1C[C@H](CN1)N(Cc1ccccc1)Cc1ccccc1)N1Cc2ccccc2C1 |r|

BDBM50243317

O=C([C@@H]1C[C@H](CN1)NCc1ccccc1)N1Cc2ccccc2C1 |r|

BDBM50243319

O=C([C@@H]1C[C@H](CN1)Nc1ccc2ccccc2c1)N1Cc2ccccc2C1 |r|

BDBM50454657

O=c1cc(N2CCNCC2)n(Cc2ccccc2)c2ccnn12

BDBM50454650

O=c1cc(N2CCNCC2)n(Cc2ccccc2C#N)c2ccnn12

BDBM50200723

OB(O)[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O

BDBM50326373

OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc2ccccc12 |r|

BDBM50431228

OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|

BDBM50431243

OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccncc1 |r|

BDBM50050521

OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1

BDBM50326395

OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|

BDBM50389474

OB(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r|

BDBM50389476

OB(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@@H](O)CN1 |r|

BDBM50389478

OB(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@H](O)CN1 |r|

BDBM50389473

OB(O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1 |r|

BDBM50389475

OB(O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@@H](O)CN1 |r|

BDBM50389477

OB(O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@H](O)CN1 |r|

BDBM11695

OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|

BDBM50187263

OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:6:1:9:7.5.4,0:1:9:7.5.4,4:3:10:7.5.6,4:5:10:2.9.3,THB:6:5:10.1.2:9|

BDBM12642

OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r,TLB:6:1:9:5.4.7,THB:7:5:2:9.10.8,7:8:2:5.4.6,6:5:9:10.2.1,0:1:9:5.4.7|

BDBM50506693

OCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50187266

OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N

BDBM50506697

OCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50506692

OCCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50506699

OCCCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50009313

OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|

BDBM50320301

O[C@H]1C[C@H]2C[C@H](C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50434171

Oc1cnc2ccccc2c1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

BDBM50389480

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6@H]-1-[#5](-[#8])-[#8] |r|

BDBM50243492

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |r|

BDBM11463

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)[C@H](N)C(=O)N1CC[C@H](F)C1 |r,wU:4.7,19.21,1.0,wD:1.1,26.28,(1.34,.92,;-.05,.24,;-.05,1.79,;-1.38,2.56,;-2.72,1.79,;-2.72,.24,;-1.38,-.53,;-4.05,2.56,;-5.38,1.78,;-6.47,.7,;-4.29,.7,;-6.72,2.55,;-6.72,4.1,;-8.05,4.87,;-9.38,4.1,;-10.72,4.87,;-9.38,2.55,;-8.05,1.78,;-8.05,.24,;1.29,-.53,;1.29,-2.07,;2.62,.24,;2.62,1.78,;3.95,-.53,;5.2,.38,;6.44,-.53,;5.97,-1.99,;6.87,-3.24,;4.43,-1.99,)|

BDBM50096874

[H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|

BDBM50096876

[H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2cc(F)c(F)cc2NC(=O)C1 |r|

BDBM50096890

[H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccc(F)cc2N(C)C(=O)C1 |r|

BDBM50096880

[H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2N(C)C(=O)C1 |r|

BDBM50096872

[H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2NC(=O)C1 |r|

BDBM50098911

[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

BDBM50098974

[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1ccc(Cl)cc1Cl |r|

BDBM50098989

[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1ccc(F)cc1 |r|

BDBM50098990

[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1cccc(F)c1 |r|

BDBM50098993

[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1ccccc1 |r|

BDBM50098991

[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1ccccc1C |r|

BDBM50098992

[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1ccccc1Cl |r|

BDBM50541448

[H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r|

BDBM50612314

[H][C@]12CC(F)(F)[C@@]1([H])C[C@@H](C#N)N2C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:20:21:26:19.25.18,25:19:27:23.22.26,25:23:27:20.19.18,THB:24:23:27:20.19.18,20:19:27.21.22:26|

BDBM50037684

[H][C@]12C[C@@H](CNC(C)=O)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|

BDBM50037682

[H][C@]12C[C@@H](CNS(=O)(=O)C(F)(F)F)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|

BDBM50037683

[H][C@]12C[C@@H](CNS(=O)(=O)c3ccc(C)cc3)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|

BDBM50037687

[H][C@]12C[C@@H](COC(=O)C3CC3)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|

BDBM50037686

[H][C@]12C[C@@H](COC(=O)C3CCC3)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|

BDBM50037685

[H][C@]12C[C@@H](COC(=O)C3CCCC3)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|

BDBM50037688

[H][C@]12C[C@@H](COC(C)=O)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|

BDBM50037689

[H][C@]12C[C@H](N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2)C(=O)OCC |r|

BDBM50153401

[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCCCCc1nnn[nH]1)Cc1ccccc1F

BDBM50153386

[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(F)(F)F)Cc1ccccc1F

BDBM50153387

[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(O)=O)Cc1ccc(F)c(F)c1

BDBM50153389

[NH3+]C(CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(CC(O)=O)cc1)Cc1ccccc1F

BDBM17313

[NH3+][C@@H](C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CC[C@H](F)C1 |r,wU:1.0,wD:25.27,(-1.19,3.31,;-1.19,4.85,;-2.52,5.62,;-2.52,7.16,;-3.86,7.93,;-5.19,7.16,;-5.19,5.62,;-3.86,4.85,;-6.53,7.93,;-7.86,7.16,;-8.63,5.83,;-7.09,5.83,;-9.19,7.93,;-10.53,7.16,;-11.86,7.93,;-11.86,9.47,;-13.19,10.24,;-10.53,10.24,;-9.19,9.47,;-7.86,10.24,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|

BDBM11188

[NH3+][C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11206

[NH3+][C@@H]([C@@H](C(=O)N1CCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11207

[NH3+][C@@H]([C@@H](C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11201

[NH3+][C@@H]([C@@H](C(=O)NC1CC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11202

[NH3+][C@@H]([C@@H](C(=O)NCCO)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11203

[NH3+][C@@H]([C@@H](C(=O)Nc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11193

[NH3+][C@@H]([C@@H](C(O)=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11192

[NH3+][C@@H]([C@@H](CN1CCCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11190

[NH3+][C@@H]([C@@H](CO)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM11198

[NH3+][C@@H]([C@@H](c1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

BDBM12656

[NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3|

BDBM12652

[NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|

BDBM50215338

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ccn1)C(F)(F)F

BDBM50215343

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)C#N

BDBM50215331

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)C(F)(F)F

BDBM50215342

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2ccccc2n1

BDBM50215321

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(=O)ccn2n1

BDBM50215326

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(cn2n1)C(F)(F)F

BDBM50215320

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(nn2n1)C(F)(F)F

BDBM50215345

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nccnc2n1

BDBM50215330

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2ncnc(C3CC3)c2n1

BDBM50215328

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nnc(-c3ccc(F)cc3)n2n1

BDBM50215351

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nnc(n2n1)C(F)(F)F

BDBM50215332

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nncn2n1

BDBM50215352

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cccc(n1)C(F)(F)F

BDBM50215322

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccccc1

BDBM50215324

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccccn1

BDBM50215337

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cccnc1

BDBM50215341

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cccnn1

BDBM50215329

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccn2cnnc2n1

BDBM50215339

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccncc1

BDBM50215325

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccncn1

BDBM50215323

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2ccccc2n1

BDBM50215327

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2cccnc2n1

BDBM50215347

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2cncnc2n1

BDBM50215333

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2nccnc2n1

BDBM50215340

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnccn1

BDBM50215344

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1nccc2ccccc12

BDBM50215348

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ncccc1C(F)(F)F

BDBM50215349

[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ncccn1

BDBM50296495

[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cccnc21 |r|

BDBM50296494

[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1ccncc21 |r|

BDBM50296493

[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(Cl)cc21 |r|

BDBM50296486

[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(F)cc21 |r|

BDBM50296491

[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(cc21)C(F)(F)F |r|

BDBM50296489

[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnccc21 |r|

BDBM50296487

[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1ncccc21 |r|

BDBM50296507

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1c(F)c(F)c(F)cc21 |r|

BDBM50296508

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1c(F)cc(F)cc21 |r|

BDBM50296511

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1c(F)cccc21 |r|

BDBM50296510

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cc(F)ccc21 |r|

BDBM50296503

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cc(ccc21)C(F)(F)F |r|

BDBM50296499

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cc(ccc21)C(O)=O |r|

BDBM50296509

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccc(F)cc21 |r|

BDBM50296505

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccc(OC(F)(F)F)cc21 |r|

BDBM50296502

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccc(cc21)C(F)(F)F |r|

BDBM50296512

[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccccc21 |r|

BDBM50506696

[O-][N+](=O)OCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50506695

[O-][N+](=O)OCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50506698

[O-][N+](=O)OCCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50506694

[O-][N+](=O)OCCCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

BDBM50206038

[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1

BDBM50454658

[O-][N+](=O)c1ccccc1Cn1c(cc(=O)n2nccc12)N1CCNCC1

BDBM50556516

[O-][N+](=O)c1ccccc1Nc1cc(nc2ccnn12)N1CCNCC1

BDBM50251467

[O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|