SMILES for CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7

CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)|

BDBM50568700

CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2c(C)[nH]c3ccccc23)cc1 |(87.73,-8.05,;86.39,-7.28,;86.39,-5.74,;85.06,-8.05,;83.72,-7.29,;82.39,-8.06,;82.39,-9.6,;83.73,-10.37,;85.07,-9.6,;81.06,-10.38,;81.06,-11.93,;79.73,-12.69,;78.4,-11.93,;77.06,-12.7,;75.72,-11.93,;74.39,-12.7,;73.05,-11.93,;73.05,-10.39,;71.72,-9.62,;70.39,-8.86,;74.39,-9.61,;75.72,-10.38,;74.37,-8.07,;75.61,-7.17,;77.07,-7.64,;75.13,-5.7,;73.6,-5.71,;72.57,-4.57,;71.06,-4.89,;70.6,-6.36,;71.63,-7.49,;73.12,-7.18,;78.38,-10.39,;79.71,-9.61,)|

BDBM50568698

CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)cc1

BDBM50568699

CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccccc23)cc1

BDBM50568703

CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2n[nH]c3ccccc23)cc1

BDBM50568695

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)cc1

BDBM50568692

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3cccnc23)cc1

BDBM50568686

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3ncccc23)cc1

BDBM50568696

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1

BDBM50568687

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(C)c3ncccc23)cc1

BDBM50568697

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(c3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1

BDBM50568701

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2n[nH]c3ccccc23)cc1

BDBM50568702

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2nn(C)c3ccccc23)cc1

BDBM50528817

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|

BDBM454542

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|

BDBM454519

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|

BDBM619386

CC(=O)Nc1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619385

CC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619523

CC(=O)Nc1ccc2c(c[nH]c2c1C(C)(C)O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619391

CC(=O)Nc1ccc2c(c[nH]c2c1P(C)(C)=O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM50570698

CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCl)nc2n(C2CCCC2)c1=O

BDBM6309

CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O

BDBM7451

CC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1

BDBM525328

CC(C(=O)Nc1cc(C2CC2)n(C)n1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1

BDBM525411

CC(C(=O)Nc1cc([nH]n1)C(C)(C)C)c1cccc(c1)-c1ccc(NC(=O)C=C)cc1

BDBM525331

CC(C(=O)Nc1cc([nH]n1)C(C)(C)C)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1

BDBM525327

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cc(ccc1F)-c1ccc(NC(=O)\C=C\CN(C)C)cc1

BDBM525345

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(F)c(c1)-c1ccc(NC(=O)C=C)c(F)c1

BDBM525326

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(F)c(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1

BDBM525390

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1cc(C)c(NC(=O)C=C)c(C)c1

BDBM525397

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(CNC(=O)C=C)nc1

BDBM525389

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)c(C)c1

BDBM525341

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)c(F)c1

BDBM525340

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)cc1

BDBM525398

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)cc1C

BDBM525346

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)cn1

BDBM525342

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)nc1

BDBM525343

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)nc1 |w:1.0|

BDBM525336

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)c(F)c1

BDBM525360

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)c(F)n1

BDBM525323

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1

BDBM525339

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1F

BDBM525338

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cn1

BDBM525364

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)nc1

BDBM525401

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCC(C2)C#N)nc1

BDBM525387

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCC(F)C2)c(F)n1

BDBM525367

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCC(F)C2)nc1

BDBM525380

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCCC(F)C2)nc1

BDBM525355

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCCC2)c(F)c1

BDBM525375

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCCC2)nc1

BDBM525376

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCCC2)nc1 |w:1.0|

BDBM525361

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCCCC2)cn1

BDBM525362

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCCCC2)nc1

BDBM525405

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCC[C@H]2CC#N)nc1 |r|

BDBM525356

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCOCC2)c(F)c1

BDBM525381

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCOCC2)c(F)n1

BDBM525357

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCOCC2)cn1

BDBM525332

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCOCC2)nc1

BDBM525382

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCOCC2)nc1F

BDBM525373

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CC[C@@H](F)C2)nc1 |r,w:1.0|

BDBM525372

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CC[C@@H](F)C2)nc1 |r|

BDBM525403

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CC[C@H](F)C2)c(F)c1 |r|

BDBM525369

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CC[C@H](F)C2)nc1 |r,w:1.0|

BDBM525368

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CC[C@H](F)C2)nc1 |r|

BDBM525392

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\Cn2ccnc2)nc1

BDBM525359

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC\C=C\C(=O)N(C)C)cn1

BDBM525399

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc2N(CCc2c1)C(=O)C=C

BDBM525351

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc2N(CCc2c1)C(=O)\C=C\CN(C)C

BDBM525384

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1cccc(NC(=O)\C=C\CN2CCOCC2)c1

BDBM525386

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CCOCC2)c(F)c1

BDBM525402

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1cncc(NC(=O)C=C)n1

BDBM525415

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1cncc(NC(=O)\C=C\CN2CCCC2)n1

BDBM525383

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1cncc(NC(=O)\C=C\CN2CCOCC2)c1

BDBM525407

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)C1=CCN(CC1)C(=O)\C=C\CN(C)C |t:22|

BDBM525408

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)C1CCN(CC1)C(=O)\C=C\CN(C)C

BDBM525337

CC(C(=O)Nc1cc([nH]n1)C1CCC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1

BDBM525350

CC(C(=O)Nc1cc([nH]n1)C1CCCC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)c(F)c1

BDBM525352

CC(C(=O)Nc1n[nH]c(C2CC2)c1C)c1cccc(c1)-c1ccc(NC(=O)C=C)cc1

BDBM525413

CC(C(=O)Nc1n[nH]c2ccccc12)c1cccc(c1)-c1ccc(NC(=O)C=C)cc1

BDBM525414

CC(C(=O)Nc1n[nH]c2ccccc12)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1

BDBM525418

CC(C)(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCCC2)nc1

BDBM50250180

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1

BDBM50539916

CC(C)(C)c1cnc(CCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539918

CC(C)(C)c1cnc(CNCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539917

CC(C)(C)c1cnc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539902

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1

BDBM50539903

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC3)C(=O)C=C)s2)o1

BDBM5931

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

BDBM50539901

CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3cccc(NC(=O)C=C)c3)s2)o1

BDBM50539906

CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)Nc3ccc(NC(=O)C=C)cc3)s2)o1

BDBM50539908

CC(C)(C)c1cnc(CSc2cnc(NC3CN(CC(F)(F)C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1

BDBM50539911

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)s2)o1 |r|

BDBM50539912

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(c3)C(F)(F)F)s2)o1 |r|

BDBM50539904

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539910

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cn3)s2)o1 |r|

BDBM50539905

CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539920

CC(C)(C)c1cnc(CSc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2Cl)o1 |r|

BDBM50539921

CC(C)(C)c1cnc(CSc2nnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539919

CC(C)(C)c1cnc(C[S+]([O-])c2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50367682

CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12 |r|

BDBM525347

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)c(F)c1

BDBM525365

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)c(F)c1

BDBM525358

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cn1

BDBM525379

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)nc1

BDBM525366

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCOCC2)nc1

BDBM526629

CC(C)COc1nc(NCc2cccc(NC(=O)C3CCN(C3)C(=O)C=C)c2)n2ncc(C(C)C)c2n1

BDBM530417

CC(C)N1CCN([C@H](C1)c1ccccc1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM530385

CC(C)N1CC[C@@H]([C@H](C1)c1ccc(Cl)c(F)c1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM530389

CC(C)N1CC[C@@H]([C@H](C1)c1cccc(C)c1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM530383

CC(C)N1CC[C@@H]([C@H](C1)c1cccc(Cl)c1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM530386

CC(C)N1CC[C@@H]([C@H](C1)c1cccc(F)c1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM530388

CC(C)N1CC[C@H]([C@@H](C1)c1ccc(Cl)c(F)c1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM530387

CC(C)N1CC[C@H]([C@@H](C1)c1cccc(F)c1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM50588661

CC(C)N1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM50585776

CC(C)Nc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|

BDBM619420

CC(C)OC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM50585783

CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|

BDBM50585777

CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|

BDBM476743

CC(C)[C@@H]1N(Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c12)C(=O)N[C@H](CN(C)C)c1ccccc1 |r|

BDBM476742

CC(C)[C@H]1N(Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c12)C(=O)N[C@H](CN(C)C)c1ccccc1 |r|

BDBM50585782

CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|

BDBM50585780

CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|

BDBM50466824

CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)|

BDBM50155210

CC(C)c1cnc(NC(=O)Cc2ccccc2)s1

BDBM526575

CC(C)c1cnn2c(NC(C)c3cccc(NC(=O)C4CCCN(C4)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526646

CC(C)c1cnn2c(NC(C)c3cccc(NC(=O)C4CCCN(C4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526601

CC(C)c1cnn2c(NC(C)c3cccc(NC(=O)C4CCCN(C4)C(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM581947

CC(C)c1cnn2c(NCC3CCCN3C)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581958

CC(C)c1cnn2c(NCC3CCCN3C)cc(OC3CCN(C)CC3)nc12

BDBM581965

CC(C)c1cnn2c(NCC3CCCN3C)nc(OC3CCN(C)CC3)nc12

BDBM526665

CC(C)c1cnn2c(NCC3CCN(CC3)C(=O)\C=C\CN3CCCC3)nc(NC3CCOCC3)nc12

BDBM581968

CC(C)c1cnn2c(NCc3cc(C)nn3C3CC3)nc(OC3CCN(C)CC3)nc12

BDBM526566

CC(C)c1cnn2c(NCc3cc(F)cc(NC(=O)C4CCCCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526563

CC(C)c1cnn2c(NCc3cc(F)cc(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526600

CC(C)c1cnn2c(NCc3cc(F)cc(NC(=O)C4CCN(C4)C(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526561

CC(C)c1cnn2c(NCc3cc(F)cc(NC(=O)C4CCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526588

CC(C)c1cnn2c(NCc3cc(F)cc(NC(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526590

CC(C)c1cnn2c(NCc3cc(F)cc(NC(=O)\C=C\CN4CCOCC4)c3)nc(NC3CCOCC3)nc12

BDBM526564

CC(C)c1cnn2c(NCc3cc(NC(=O)C4CCCCN4C(=O)C=C)ccc3C)nc(NC3CCOCC3)nc12

BDBM526567

CC(C)c1cnn2c(NCc3cc(NC(=O)C4CCCCN4C(=O)C=C)ccc3F)nc(NC3CCOCC3)nc12

BDBM526562

CC(C)c1cnn2c(NCc3cc(NC(=O)C4CCN(C4)C(=O)C=C)ccc3F)nc(NC3CCOCC3)nc12

BDBM526599

CC(C)c1cnn2c(NCc3cc(NC(=O)C4CCN(C4)C(=O)\C=C\CN(C)C)ccc3F)nc(NC3CCOCC3)nc12

BDBM526557

CC(C)c1cnn2c(NCc3cc(NC(=O)C4CCN4C(=O)C=C)ccc3C)nc(NC3CCOCC3)nc12

BDBM526559

CC(C)c1cnn2c(NCc3cc(NC(=O)C4CCN4C(=O)C=C)ccc3F)nc(NC3CCOCC3)nc12

BDBM526569

CC(C)c1cnn2c(NCc3cc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)ccc3F)nc(NC3CCOCC3)nc12 |r,wU:16.15,19.22,(9.86,-6.41,;8.38,-6.01,;7.61,-7.35,;7.61,-4.68,;8.51,-3.43,;7.61,-2.19,;6.14,-2.66,;4.81,-1.89,;4.81,-.35,;3.47,.42,;3.47,1.96,;2.14,2.73,;2.14,4.27,;.81,5.04,;-.53,4.27,;-.53,2.73,;-1.86,5.04,;-1.86,6.58,;-3.19,7.35,;-4.53,6.58,;-4.53,5.04,;-3.19,4.27,;-5.86,7.35,;-7.2,6.58,;-7.2,5.04,;-8.53,7.35,;-9.86,6.58,;3.47,5.04,;4.81,4.27,;4.81,2.73,;6.14,1.96,;3.47,-2.66,;3.47,-4.2,;2.14,-4.97,;.81,-4.2,;.81,-2.66,;-.53,-1.89,;-1.86,-2.66,;-1.86,-4.2,;-.53,-4.97,;4.81,-4.97,;6.14,-4.2,)|

BDBM526558

CC(C)c1cnn2c(NCc3ccc(C)c(NC(=O)C4CCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526574

CC(C)c1cnn2c(NCc3ccc(F)c(NC(=O)C4CCCCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526644

CC(C)c1cnn2c(NCc3ccc(F)c(NC(=O)C4CCCN(C4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526650

CC(C)c1cnn2c(NCc3ccc(F)c(NC(=O)C4CCCN(C4)C(=O)\C=C\CN(C)C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526573

CC(C)c1cnn2c(NCc3ccc(F)c(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526593

CC(C)c1cnn2c(NCc3ccc(F)c(NC(=O)C4CCN(C4)C(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526572

CC(C)c1cnn2c(NCc3ccc(F)c(NC(=O)C4CCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526645

CC(C)c1cnn2c(NCc3ccc(F)c(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12 |r,wU:19.18,22.25,(7.1,-7.3,;8.19,-6.21,;9.68,-6.61,;7.79,-4.72,;8.7,-3.48,;7.79,-2.23,;6.33,-2.71,;4.99,-1.94,;4.99,-.4,;3.66,.37,;3.66,1.91,;4.99,2.68,;4.99,4.22,;3.66,4.99,;3.66,6.53,;2.33,4.22,;.99,4.99,;-.34,4.22,;-.34,2.68,;-1.68,4.99,;-1.68,6.53,;-3.01,7.3,;-4.34,6.53,;-4.34,4.99,;-3.01,4.22,;-5.68,7.3,;-7.01,6.53,;-7.01,4.99,;-8.34,7.3,;-9.68,6.53,;2.33,2.68,;3.66,-2.71,;3.66,-4.25,;2.33,-5.02,;.99,-4.25,;-.34,-5.02,;-1.68,-4.25,;-1.68,-2.71,;-3.01,-1.94,;-.34,-1.94,;.99,-2.71,;4.99,-5.02,;6.33,-4.25,)|

BDBM526651

CC(C)c1cnn2c(NCc3ccc(F)c(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)\C=C\CN(C)C)c3)nc(OC3CCN(C)CC3)nc12 |r,wU:19.18,22.25,(9.1,-7.3,;10.19,-6.21,;11.68,-6.61,;9.79,-4.72,;10.7,-3.48,;9.79,-2.23,;8.33,-2.71,;6.99,-1.94,;6.99,-.4,;5.66,.37,;5.66,1.91,;6.99,2.68,;6.99,4.22,;5.66,4.99,;5.66,6.53,;4.33,4.22,;2.99,4.99,;1.66,4.22,;1.66,2.68,;.33,4.99,;.33,6.53,;-1.01,7.3,;-2.34,6.53,;-2.34,4.99,;-1.01,4.22,;-3.68,7.3,;-5.01,6.53,;-5.01,4.99,;-6.34,7.3,;-7.68,6.53,;-9.01,7.3,;-10.34,6.53,;-11.68,7.3,;-10.34,4.99,;4.33,2.68,;5.66,-2.71,;5.66,-4.25,;4.33,-5.02,;2.99,-4.25,;1.66,-5.02,;.33,-4.25,;.33,-2.71,;-1.01,-1.94,;1.66,-1.94,;2.99,-2.71,;6.99,-5.02,;8.33,-4.25,)|

BDBM526647

CC(C)c1cnn2c(NCc3ccc(NC(=O)C4CCCN(C4)C(=O)C=C)[n+]([O-])c3)nc(OC3CCN(C)CC3)nc12

BDBM526592

CC(C)c1cnn2c(NCc3ccc(NC(=O)\C=C\CN4CCCC4)cc3)nc(NC3CCOCC3)nc12

BDBM581955

CC(C)c1cnn2c(NCc3ccc4cccc(N(C)C)c4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581967

CC(C)c1cnn2c(NCc3ccc4cccc(N(C)C)c4n3)nc(OC3CCN(C)CC3)nc12

BDBM526611

CC(C)c1cnn2c(NCc3cccc(NC(=O)C(C)(C)NC(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526609

CC(C)c1cnn2c(NCc3cccc(NC(=O)C(C)NC(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526613

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4(CC4)N(C)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526612

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4(CC4)NC(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526552

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCC(C4)NC(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526641

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCC(C4)NC(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526551

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526546

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCCN4C(=O)C=C)c3)nc(N[C@H]3CCCOC3)nc12 |r|

BDBM526565

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCCN4C(=O)C=C)c3F)nc(NC3CCOCC3)nc12

BDBM526603

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCCN4C(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526606

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCCN4C(=O)\C=C\CN4CCCC4)c3)nc(NC3CCOCC3)nc12

BDBM526607

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCCN4S(=O)(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526538

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCN(C4)C(=O)C=C)c3)nc(NC3CCN(C)CC3)nc12

BDBM526531

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCN(C4)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526643

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCN(C4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526623

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCN(C4)C(=O)C=C)c3)nc(OC3CCOCC3)nc12

BDBM526649

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCN(C4)C(=O)\C=C\CN(C)C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526533

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526545

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(NC3CCCC(N)C3)nc12

BDBM526534

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526544

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(N[C@@H]3CCNC[C@H]3F)nc12 |r|

BDBM526542

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(N[C@H]3CCC[C@@H](O)C3)nc12 |r|

BDBM526543

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(N[C@H]3CCC[C@H](O)C3)nc12 |r|

BDBM526635

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526622

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(C4)C(=O)C=C)c3)nc(OC3CCOCC3)nc12

BDBM526598

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(C4)C(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526638

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(CC4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526633

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(CC4)C(=O)C=C)c3)nc(OC3CCNCC3)nc12

BDBM526634

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN(CC4)C(=O)C=C)c3)nc(OCCCCN)nc12

BDBM526595

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN4C(=O)C#C)c3)nc(NC3CCOCC3)nc12

BDBM526596

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN4C(=O)C(C)=C)c3)nc(NC3CCOCC3)nc12

BDBM526666

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN4C(=O)C=C)c3)cc(NC3CCOCC3)nc12

BDBM526532

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526621

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN4C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526560

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN4C(=O)C=C)c3F)nc(NC3CCOCC3)nc12

BDBM526605

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCN4C\C=C\C(=O)N(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526548

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CN(C4)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526553

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CN(CCO4)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526639

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CN(CCO4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526555

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4COCCN4C(=O)C#C)c3)nc(NC3CCOCC3)nc12

BDBM526554

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4COCCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526640

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4COCCN4C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526602

CC(C)c1cnn2c(NCc3cccc(NC(=O)C4COCCN4C(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526610

CC(C)c1cnn2c(NCc3cccc(NC(=O)CN(C)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526608

CC(C)c1cnn2c(NCc3cccc(NC(=O)CNC(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526550

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12 |r|

BDBM526540

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(NC3CCCC(O)C3)nc12 |r,wU:18.17,21.24,(5.85,-7.32,;6.89,-6.17,;8.39,-6.49,;6.41,-4.71,;7.31,-3.46,;6.41,-2.22,;4.94,-2.69,;3.61,-1.92,;3.61,-.38,;4.94,.39,;4.94,1.93,;6.28,2.7,;6.28,4.24,;4.94,5.01,;3.61,4.24,;2.28,5.01,;.94,4.24,;.94,2.7,;-.39,5.01,;-.39,6.55,;-1.72,7.32,;-3.06,6.55,;-3.06,5.01,;-1.72,4.24,;-4.39,7.32,;-5.72,6.55,;-5.72,5.01,;-7.06,7.32,;-8.39,6.55,;3.61,2.7,;2.28,-2.69,;2.28,-4.23,;.94,-5,;-.39,-4.23,;-.39,-2.69,;-1.72,-1.92,;-3.06,-2.69,;-3.06,-4.23,;-4.39,-5,;-1.72,-5,;3.61,-5,;4.94,-4.23,)|

BDBM526537

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(NC3CCOCC3)nc12 |r,wU:18.17,21.24,(7.19,-7.32,;8.22,-6.17,;9.73,-6.49,;7.74,-4.71,;8.65,-3.46,;7.74,-2.22,;6.28,-2.69,;4.94,-1.92,;4.94,-.38,;3.61,.39,;3.61,1.93,;4.94,2.7,;4.94,4.24,;3.61,5.01,;2.28,4.24,;.94,5.01,;-.39,4.24,;-.39,2.7,;-1.72,5.01,;-1.72,6.55,;-3.06,7.32,;-4.39,6.55,;-4.39,5.01,;-3.06,4.24,;-5.72,7.32,;-7.06,6.55,;-7.06,5.01,;-8.39,7.32,;-9.73,6.55,;2.28,2.7,;3.61,-2.69,;3.61,-4.23,;2.28,-5,;.94,-4.23,;.94,-2.69,;-.39,-1.92,;-1.72,-2.69,;-1.72,-4.23,;-.39,-5,;4.94,-5,;6.28,-4.23,)|

BDBM526539

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |r,wU:18.17,21.24,36.38,wD:33.34,(7.19,-7.32,;8.22,-6.17,;9.73,-6.49,;7.74,-4.71,;8.65,-3.46,;7.74,-2.22,;6.28,-2.69,;4.94,-1.92,;4.94,-.38,;3.61,.39,;3.61,1.93,;4.94,2.7,;4.94,4.24,;3.61,5.01,;2.28,4.24,;.94,5.01,;-.39,4.24,;-.39,2.7,;-1.72,5.01,;-1.72,6.55,;-3.06,7.32,;-4.39,6.55,;-4.39,5.01,;-3.06,4.24,;-5.72,7.32,;-7.06,6.55,;-7.06,5.01,;-8.39,7.32,;-9.73,6.55,;2.28,2.7,;3.61,-2.69,;3.61,-4.23,;2.28,-5,;.94,-4.23,;.94,-2.69,;-.39,-1.92,;-1.72,-2.69,;-3.06,-1.92,;-1.72,-4.23,;-.39,-5,;4.94,-5,;6.28,-4.23,)|

BDBM526628

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCN(C)C3)nc12 |r,wU:18.17,21.24,(9.68,-6.61,;8.19,-6.21,;7.1,-7.3,;7.79,-4.72,;8.7,-3.48,;7.79,-2.23,;6.33,-2.71,;4.99,-1.94,;4.99,-.4,;3.66,.37,;3.66,1.91,;4.99,2.68,;4.99,4.22,;3.66,4.99,;2.33,4.22,;.99,4.99,;-.34,4.22,;-.34,2.68,;-1.68,4.99,;-1.68,6.53,;-3.01,7.3,;-4.34,6.53,;-4.34,4.99,;-3.01,4.22,;-5.68,7.3,;-7.01,6.53,;-7.01,4.99,;-8.34,7.3,;-9.68,6.53,;2.33,2.68,;3.66,-2.71,;3.66,-4.25,;2.33,-5.02,;.99,-4.25,;-.47,-4.72,;-1.38,-3.48,;-.47,-2.23,;-1.24,-.9,;.99,-2.71,;4.99,-5.02,;6.33,-4.25,)|

BDBM526642

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12 |r,wU:18.17,21.24,(7.1,-7.3,;8.19,-6.21,;9.68,-6.61,;7.79,-4.72,;8.7,-3.48,;7.79,-2.23,;6.33,-2.71,;4.99,-1.94,;4.99,-.4,;3.66,.37,;3.66,1.91,;4.99,2.68,;4.99,4.22,;3.66,4.99,;2.33,4.22,;.99,4.99,;-.34,4.22,;-.34,2.68,;-1.68,4.99,;-1.68,6.53,;-3.01,7.3,;-4.34,6.53,;-4.34,4.99,;-3.01,4.22,;-5.68,7.3,;-7.01,6.53,;-7.01,4.99,;-8.34,7.3,;-9.68,6.53,;2.33,2.68,;3.66,-2.71,;3.66,-4.25,;2.33,-5.02,;.99,-4.25,;-.34,-5.02,;-1.68,-4.25,;-1.68,-2.71,;-3.01,-1.94,;-.34,-1.94,;.99,-2.71,;4.99,-5.02,;6.33,-4.25,)|

BDBM526619

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCN(C)CC3F)nc12 |r,wU:18.17,21.24,(9.68,-6.61,;8.19,-6.21,;7.1,-7.3,;7.79,-4.72,;8.7,-3.48,;7.79,-2.23,;6.33,-2.71,;4.99,-1.94,;4.99,-.4,;3.66,.37,;3.66,1.91,;4.99,2.68,;4.99,4.22,;3.66,4.99,;2.33,4.22,;.99,4.99,;-.34,4.22,;-.34,2.68,;-1.68,4.99,;-1.68,6.53,;-3.01,7.3,;-4.34,6.53,;-4.34,4.99,;-3.01,4.22,;-5.68,7.3,;-7.01,6.53,;-7.01,4.99,;-8.34,7.3,;-9.68,6.53,;2.33,2.68,;3.66,-2.71,;3.66,-4.25,;2.33,-5.02,;.99,-4.25,;.99,-2.71,;-.34,-1.94,;-1.68,-2.71,;-3.01,-1.94,;-1.68,-4.25,;-.34,-5.02,;-.34,-6.56,;4.99,-5.02,;6.33,-4.25,)|

BDBM526627

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCOC3)nc12 |r,wU:18.17,21.24,(9.68,-6.61,;8.19,-6.21,;7.1,-7.3,;7.79,-4.72,;8.7,-3.48,;7.79,-2.23,;6.33,-2.71,;4.99,-1.94,;4.99,-.4,;3.66,.37,;3.66,1.91,;4.99,2.68,;4.99,4.22,;3.66,4.99,;2.33,4.22,;.99,4.99,;-.34,4.22,;-.34,2.68,;-1.68,4.99,;-1.68,6.53,;-3.01,7.3,;-4.34,6.53,;-4.34,4.99,;-3.01,4.22,;-5.68,7.3,;-7.01,6.53,;-7.01,4.99,;-8.34,7.3,;-9.68,6.53,;2.33,2.68,;3.66,-2.71,;3.66,-4.25,;2.33,-5.02,;.99,-4.25,;-.47,-4.72,;-1.38,-3.48,;-.47,-2.23,;.99,-2.71,;4.99,-5.02,;6.33,-4.25,)|

BDBM526624

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCOCC3)nc12 |r,wU:18.17,21.24,(9.68,-6.61,;8.19,-6.21,;7.1,-7.3,;7.79,-4.72,;8.7,-3.48,;7.79,-2.23,;6.33,-2.71,;4.99,-1.94,;4.99,-.4,;3.66,.37,;3.66,1.91,;4.99,2.68,;4.99,4.22,;3.66,4.99,;2.33,4.22,;.99,4.99,;-.34,4.22,;-.34,2.68,;-1.68,4.99,;-1.68,6.53,;-3.01,7.3,;-4.34,6.53,;-4.34,4.99,;-3.01,4.22,;-5.68,7.3,;-7.01,6.53,;-7.01,4.99,;-8.34,7.3,;-9.68,6.53,;2.33,2.68,;3.66,-2.71,;3.66,-4.25,;2.33,-5.02,;.99,-4.25,;-.34,-5.02,;-1.68,-4.25,;-1.68,-2.71,;-.34,-1.94,;.99,-2.71,;4.99,-5.02,;6.33,-4.25,)|

BDBM526625

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCOCC3F)nc12 |r,wU:18.17,21.24,(9.68,-6.61,;8.19,-6.21,;7.1,-7.3,;7.79,-4.72,;8.7,-3.48,;7.79,-2.23,;6.33,-2.71,;4.99,-1.94,;4.99,-.4,;3.66,.37,;3.66,1.91,;4.99,2.68,;4.99,4.22,;3.66,4.99,;2.33,4.22,;.99,4.99,;-.34,4.22,;-.34,2.68,;-1.68,4.99,;-1.68,6.53,;-3.01,7.3,;-4.34,6.53,;-4.34,4.99,;-3.01,4.22,;-5.68,7.3,;-7.01,6.53,;-7.01,4.99,;-8.34,7.3,;-9.68,6.53,;2.33,2.68,;3.66,-2.71,;3.66,-4.25,;2.33,-5.02,;.99,-4.25,;.99,-2.71,;-.34,-1.94,;-1.68,-2.71,;-1.68,-4.25,;-.34,-5.02,;-.34,-6.56,;4.99,-5.02,;6.33,-4.25,)|

BDBM526568

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3F)nc(NC3CCOCC3)nc12 |r,wU:18.17,21.24,(9.86,-6.41,;8.38,-6.01,;7.61,-7.35,;7.61,-4.68,;8.51,-3.43,;7.61,-2.19,;6.14,-2.66,;4.81,-1.89,;4.81,-.35,;3.47,.42,;3.47,1.96,;4.81,2.73,;4.81,4.27,;3.47,5.04,;2.14,4.27,;.81,5.04,;-.53,4.27,;-.53,2.73,;-1.86,5.04,;-1.86,6.58,;-3.19,7.35,;-4.53,6.58,;-4.53,5.04,;-3.19,4.27,;-5.86,7.35,;-7.2,6.58,;-7.2,5.04,;-8.53,7.35,;-9.86,6.58,;2.14,2.73,;.81,1.96,;3.47,-2.66,;3.47,-4.2,;2.14,-4.97,;.81,-4.2,;.81,-2.66,;-.53,-1.89,;-1.86,-2.66,;-1.86,-4.2,;-.53,-4.97,;4.81,-4.97,;6.14,-4.2,)|

BDBM526662

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC\C=C\C(=O)N(C)C)c3)nc(OC3CCN(C)CC3)nc12 |r,wU:21.24,18.17,(11.68,-14.52,;10.19,-14.12,;9.1,-15.21,;9.79,-12.63,;10.7,-11.38,;9.79,-10.14,;8.33,-10.61,;6.99,-9.84,;6.99,-8.3,;5.66,-7.53,;5.66,-5.99,;6.99,-5.22,;6.99,-3.68,;5.66,-2.91,;4.33,-3.68,;2.99,-2.91,;1.66,-3.68,;1.66,-5.22,;.33,-2.91,;.33,-1.37,;-1.01,-.6,;-2.34,-1.37,;-2.34,-2.91,;-1.01,-3.68,;-3.68,-.6,;-5.01,-1.37,;-6.34,-.6,;-7.68,-1.37,;-9.01,-.6,;-9.01,.94,;-10.34,-1.37,;-11.68,-.6,;-10.34,-2.91,;4.33,-5.22,;5.66,-10.61,;5.66,-12.15,;4.33,-12.92,;2.99,-12.15,;2.99,-10.61,;1.66,-9.84,;.33,-10.61,;-1.01,-9.84,;.33,-12.15,;1.66,-12.92,;6.99,-12.92,;8.33,-12.15,)|

BDBM526549

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@H]4CCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12 |r|

BDBM526541

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(NC3CCCC(O)C3)nc12 |r,wU:21.24,wD:18.17,(5.85,-7.32,;6.89,-6.17,;8.39,-6.49,;6.41,-4.71,;7.31,-3.46,;6.41,-2.22,;4.94,-2.69,;3.61,-1.92,;3.61,-.38,;4.94,.39,;4.94,1.93,;6.28,2.7,;6.28,4.24,;4.94,5.01,;3.61,4.24,;2.28,5.01,;.94,4.24,;.94,2.7,;-.39,5.01,;-.39,6.55,;-1.72,7.32,;-3.06,6.55,;-3.06,5.01,;-1.72,4.24,;-4.39,7.32,;-5.72,6.55,;-5.72,5.01,;-7.06,7.32,;-8.39,6.55,;3.61,2.7,;2.28,-2.69,;2.28,-4.23,;.94,-5,;-.39,-4.23,;-.39,-2.69,;-1.72,-1.92,;-3.06,-2.69,;-3.06,-4.23,;-4.39,-5,;-1.72,-5,;3.61,-5,;4.94,-4.23,)|

BDBM526618

CC(C)c1cnn2c(NCc3cccc(NC(=O)[C@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12 |r,wU:18.17,wD:21.24,(9.68,-6.61,;8.19,-6.21,;7.1,-7.3,;7.79,-4.72,;8.7,-3.48,;7.79,-2.23,;6.33,-2.71,;4.99,-1.94,;4.99,-.4,;3.66,.37,;3.66,1.91,;4.99,2.68,;4.99,4.22,;3.66,4.99,;2.33,4.22,;.99,4.99,;-.34,4.22,;-.34,2.68,;-1.68,4.99,;-3.01,4.22,;-4.34,4.99,;-4.34,6.53,;-3.01,7.3,;-1.68,6.53,;-5.68,7.3,;-7.01,6.53,;-7.01,4.99,;-8.34,7.3,;-9.68,6.53,;2.33,2.68,;3.66,-2.71,;3.66,-4.25,;2.33,-5.02,;.99,-4.25,;-.34,-5.02,;-1.68,-4.25,;-1.68,-2.71,;-3.01,-1.94,;-.34,-1.94,;.99,-2.71,;4.99,-5.02,;6.33,-4.25,)|

BDBM526582

CC(C)c1cnn2c(NCc3cccc(NC(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526589

CC(C)c1cnn2c(NCc3cccc(NC(=O)\C=C\CN(C)C)c3F)nc(NC3CCOCC3)nc12

BDBM526586

CC(C)c1cnn2c(NCc3cccc(NC(=O)\C=C\CN4CCC(F)(F)C4)c3)nc(NC3CCOCC3)nc12

BDBM526585

CC(C)c1cnn2c(NCc3cccc(NC(=O)\C=C\CN4CCC(F)C4)c3)nc(NC3CCOCC3)nc12

BDBM526587

CC(C)c1cnn2c(NCc3cccc(NC(=O)\C=C\CN4CCCC(F)C4)c3)nc(NC3CCOCC3)nc12

BDBM526583

CC(C)c1cnn2c(NCc3cccc(NC(=O)\C=C\CN4CCCC4)c3)nc(NC3CCOCC3)nc12

BDBM526584

CC(C)c1cnn2c(NCc3cccc(NC(=O)\C=C\CN4CCCCC4)c3)nc(NC3CCOCC3)nc12

BDBM526581

CC(C)c1cnn2c(NCc3cccc(NC(=O)\C=C\CN4CCOCC4)c3)nc(NC3CCOCC3)nc12

BDBM526577

CC(C)c1cnn2c(NCc3cccc(NC(=O)c4cccc(NC(=O)C=C)c4)c3)nc(NC3CCOCC3)nc12

BDBM526578

CC(C)c1cnn2c(NCc3cccc(NC(=O)c4ccccc4NC(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526614

CC(C)c1cnn2c(NCc3cccc(NC(=O)c4nn(C)cc4NC(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526579

CC(C)c1cnn2c(NCc3cccc(NC\C=C\C(=O)N(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526576

CC(C)c1cnn2c(NCc3cccc(OC(=O)N4CCN(CC4)C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526648

CC(C)c1cnn2c(NCc3cccc(OC(=O)N4CCN(CC4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526604

CC(C)c1cnn2c(NCc3cccc(OC(=O)N4CCN(CC4)C(=O)\C=C\CN(C)C)c3)nc(NC3CCOCC3)nc12

BDBM526571

CC(C)c1cnn2c(NCc3cccc(c3)C(=O)N[C@H]3CCCN(C3)C(=O)C=C)nc(NC3CCOCC3)nc12 |r|

BDBM50526805

CC(C)c1cnn2c(NCc3ccccc3)cc(NCC3CCNCC3)nc12

BDBM50526789

CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3CCNC[C@H]3O)nc12 |r|

BDBM50526796

CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCCC[C@@H]3O)nc12 |r|

BDBM50526804

CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r|

BDBM50526788

CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(O)CCNC[C@H]3O)nc12 |r|

BDBM581943

CC(C)c1cnn2c(NCc3ccccc3N(C)C)cc(OC3CCN(C)CC3)nc12

BDBM526664

CC(C)c1cnn2c(NCc3ccccc3N3CCN(CC3)C(=O)\C=C\CN(C)C)nc(NC3CCOCC3)nc12

BDBM526591

CC(C)c1cnn2c(NCc3ccccc3NC(=O)\C=C\CN(C)C)nc(NC3CCOCC3)nc12

BDBM581964

CC(C)c1cnn2c(NCc3cccnc3N(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581969

CC(C)c1cnn2c(NCc3ccn(C)n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581959

CC(C)c1cnn2c(NCc3ccn[nH]3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581960

CC(C)c1cnn2c(NCc3ccnn3C(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581956

CC(C)c1cnn2c(NCc3ccnn3C)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581957

CC(C)c1cnn2c(NCc3ccnn3C)cc(OC3CCN(C)CC3)nc12

BDBM581966

CC(C)c1cnn2c(NCc3ccnn3C)nc(OC3CCN(C)CC3)nc12

BDBM581961

CC(C)c1cnn2c(NCc3ccnn3C3CC3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM526570

CC(C)c1cnn2c(NCc3cncc(NC(=O)C4COCCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM581962

CC(C)c1cnn2c(NCc3cncn3C)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581977

CC(C)c1cnn2c(NCc3nc(cs3)C3CC3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581976

CC(C)c1cnn2c(NCc3nc4cc(Cl)ccc4s3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581975

CC(C)c1cnn2c(NCc3nc4cc(ccc4s3)C(F)(F)F)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581954

CC(C)c1cnn2c(NCc3nc4cc(ccc4s3)N(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581974

CC(C)c1cnn2c(NCc3nc4ccccc4n3C)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581970

CC(C)c1cnn2c(NCc3nc4ccccc4s3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581963

CC(C)c1cnn2c(NCc3nccn3C)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581971

CC(C)c1cnn2c(NCc3nccs3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM581973

CC(C)c1cnn2c(NCc3nn(C)c4ccccc34)cc(NC[C@H]3CCNC[C@@H]3O)nc12 |r|

BDBM526654

CC(C)c1cnn2c(Nc3cccc(NC(=O)C4CCN(CC4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526615

CC(C)c1cnn2c(Nc3cccc(NC(=O)C4CCN4C(=O)C=C)c3)nc(NC3CCOCC3)nc12

BDBM526653

CC(C)c1cnn2c(Nc3cccc(NC(=O)C4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12 |r,wD:20.23,(-1.89,-4.99,;-.8,-3.9,;.68,-4.3,;-1.2,-2.41,;-.3,-1.17,;-1.2,.08,;-2.67,-.4,;-4,.37,;-4,1.91,;-2.67,2.68,;-2.67,4.22,;-1.33,4.99,;,4.22,;,2.68,;1.33,1.91,;2.67,2.68,;2.67,4.22,;4,1.91,;5.33,2.68,;6.67,1.91,;6.67,.37,;5.33,-.4,;4,.37,;8,-.4,;9.34,.37,;9.34,1.91,;10.67,-.4,;12,.37,;-1.33,1.91,;-5.33,-.4,;-5.33,-1.94,;-6.67,-2.71,;-8,-1.94,;-9.34,-2.71,;-10.67,-1.94,;-10.67,-.4,;-12,.37,;-9.34,.37,;-8,-.4,;-4,-2.71,;-2.67,-1.94,)|

BDBM526658

CC(C)c1cnn2c(Nc3cccc(NC(=O)C4CC[C@@H](CC4)NC(=O)\C=C\CN(C)C)c3)nc(OC3CCN(C)CC3)nc12 |r,wD:20.23,(.57,-11.33,;-.92,-10.93,;-2.01,-12.02,;-1.32,-9.45,;-.41,-8.2,;-1.32,-6.96,;-2.78,-7.43,;-4.12,-6.66,;-4.12,-5.12,;-2.78,-4.35,;-2.78,-2.81,;-1.45,-2.04,;-.12,-2.81,;-.12,-4.35,;1.22,-5.12,;2.55,-4.35,;2.55,-2.81,;3.88,-5.12,;5.22,-4.35,;6.55,-5.12,;6.55,-6.66,;5.22,-7.43,;3.88,-6.66,;7.88,-7.43,;9.22,-6.66,;9.22,-5.12,;10.55,-7.43,;11.89,-6.66,;13.22,-7.43,;14.55,-6.66,;15.89,-7.43,;14.55,-5.12,;-1.45,-5.12,;-5.45,-7.43,;-5.45,-8.97,;-6.79,-9.74,;-8.12,-8.97,;-8.12,-7.43,;-9.45,-6.66,;-10.79,-7.43,;-12.12,-6.66,;-10.79,-8.97,;-9.45,-9.74,;-4.12,-9.74,;-2.78,-8.97,)|

BDBM526659

CC(C)c1cnn2c(Nc3cccc(NC(=O)[C@H]4CC[C@@H](CC4)NC(=O)\C=C\CN(C)C)c3)nc(OC3CCN(C)CC3)nc12 |r,wU:20.23,wD:17.16,(-3.89,-4.99,;-2.8,-3.9,;-1.32,-4.3,;-3.2,-2.41,;-2.3,-1.17,;-3.2,.08,;-4.67,-.4,;-6,.37,;-6,1.91,;-4.67,2.68,;-4.67,4.22,;-3.33,4.99,;-2,4.22,;-2,2.68,;-.67,1.91,;.67,2.68,;.67,4.22,;2,1.91,;2,.37,;3.33,-.4,;4.67,.37,;4.67,1.91,;3.33,2.68,;6,-.4,;7.34,.37,;7.34,1.91,;8.67,-.4,;10,.37,;11.34,-.4,;12.67,.37,;14,-.4,;12.67,1.91,;-3.33,1.91,;-7.34,-.4,;-7.34,-1.94,;-8.67,-2.71,;-10,-1.94,;-11.34,-2.71,;-12.67,-1.94,;-12.67,-.4,;-14,.37,;-11.34,.37,;-10,-.4,;-6,-2.71,;-4.67,-1.94,)|

BDBM526652

CC(C)c1cnn2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)nc(OC3CCN(C)CC3)nc12

BDBM526657

CC(C)c1cnn2c(Nc3cccc(NC(=O)c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3)nc(OC3CCN(C)CC3)nc12

BDBM526656

CC(C)c1cnn2c(Nc3cccc(c3)C(=O)NC3CCCN(C3)C(=O)C=C)nc(OC3CCN(C)CC3)nc12

BDBM526660

CC(C)c1cnn2c(Nc3cccc(c3)C(=O)NC3CCCN(C3)C(=O)\C=C\CN(C)C)nc(OC3CCN(C)CC3)nc12

BDBM526655

CC(C)c1cnn2c(Nc3cccc(c3)C(=O)NC3CCN(CC3)C(=O)C=C)nc(OC3CCN(C)CC3)nc12

BDBM526661

CC(C)c1cnn2c(Nc3cccc(c3)C(=O)NC3CCN(CC3)C(=O)\C=C\CN(C)C)nc(OC3CCN(C)CC3)nc12

BDBM50193097

CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:19.20,wD:22.27,(35.27,-22.33,;36.78,-22.65,;37.26,-24.11,;37.81,-21.5,;39.33,-21.66,;40.11,-23,;39.96,-20.26,;38.81,-19.23,;38.82,-17.69,;37.48,-16.91,;36.15,-17.69,;36.15,-19.23,;37.48,-20,;34.82,-16.92,;34.82,-15.37,;33.48,-14.61,;32.15,-15.38,;32.15,-16.92,;30.81,-17.69,;30.81,-19.23,;32.15,-19.99,;32.14,-21.54,;30.8,-22.3,;29.47,-21.52,;29.48,-19.99,;30.79,-23.84,;29.46,-24.61,;28.13,-23.83,;26.8,-24.58,;26.78,-26.12,;28.11,-26.9,;29.46,-26.14,;33.48,-17.69,)|

BDBM50521533

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12

BDBM50454184

CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc12 |(32.15,-14.56,;33.17,-13.41,;34.68,-13.72,;32.68,-11.95,;33.59,-10.69,;32.67,-9.44,;31.2,-9.93,;29.86,-9.16,;29.86,-7.62,;31.19,-6.85,;31.18,-5.31,;32.52,-4.54,;32.52,-3,;31.18,-2.24,;29.84,-3.02,;29.85,-4.55,;28.53,-9.93,;28.53,-11.48,;27.2,-12.25,;25.86,-11.47,;25.86,-9.93,;24.54,-9.16,;23.2,-9.93,;21.87,-9.15,;23.2,-11.47,;24.53,-12.25,;29.87,-12.25,;31.21,-11.48,)|

BDBM50454182

CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCCCC3N)nc12

BDBM444543

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F

BDBM572050

CC(C)n1c2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2ccc1=O |r|

BDBM572078

CC(C)n1c2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2ccc1=O |r|

BDBM530281

CC(C)n1cc(CNc2ncc3C[C@@H](C)N(Cc3n2)C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)cn1 |r|

BDBM530319

CC(C)n1cc(Nc2ncc3C[C@@H](C)N(Cc3n2)C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)cn1 |r|

BDBM530305

CC(C)n1ccc(CNc2ncc3C[C@@H](C)N(Cc3n2)C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)n1 |r|

BDBM50531922

CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12

BDBM530312

CC(C1CC1)n1cc(Nc2ncc3C[C@@H](C)N(Cc3n2)C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)cn1 |r|

BDBM50531923

CC(C1CC1)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(NCCN(C)C)nc12

BDBM476755

CC(CN(C)C)NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)nn(C)c2C1(C)C

BDBM476720

CC(CN(C)C)NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C

BDBM50208911

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

BDBM619547

CC1(C)CC[C@@H](CN1)Nc1nc(-c2c[nH]c3c(c(ccc23)C#N)P(C)(C)=O)c2ccccc2n1 |r|

BDBM619541

CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P1(=O)CCCC1)C(F)(F)F |r|

BDBM619546

CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)S(=O)(=O)C1CCCC1)C(F)(F)F |r|

BDBM619542

CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)N1CCCCC1=O)P(C)(C)=O)C(F)(F)F |r|

BDBM619544

CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(nccc12)P1(=O)CCCC1)C(F)(F)F |r|

BDBM619549

CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)[N]1=CNc2c1ccc(C#N)c2P(C)(C)=O)C(F)(F)F |r,t:17|

BDBM619383

CC1(C)COC(Nc2ccc3c(c[nH]c3c2Br)-c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)=N1 |r,c:37|

BDBM530406

CC1CN(Cc2nc(Nc3cnn(C)c3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM572129

CCC(=C)C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572053

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1cc2ccccc2cn1 |r|

BDBM572054

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2cc(Cl)ccc2n1 |r|

BDBM572059

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|

BDBM572057

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(Cl)cc2n1 |r|

BDBM572058

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(F)cc2n1 |r|

BDBM572055

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(OC)cc2n1 |r|

BDBM572056

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|

BDBM572052

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572080

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1cc2ccccc2cn1 |r|

BDBM572084

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(C)ccc2n1 |r|

BDBM572082

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(Cl)ccc2n1 |r|

BDBM572081

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|

BDBM572083

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(OC)ccc2n1 |r|

BDBM572095

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(=O)[nH]c2n1 |r|

BDBM572096

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|

BDBM572088

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(Cl)cc2n1 |r|

BDBM572089

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(F)cc2n1 |r|

BDBM572086

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(OC)cc2n1 |r|

BDBM572090

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C#N |r|

BDBM572094

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(=O)N(C)C |r|

BDBM572092

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(N)=O |r|

BDBM572091

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(O)=O |r|

BDBM572087

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|

BDBM572079

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572085

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccncc2n1 |r|

BDBM476717

CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c1 |r|

BDBM476735

CCC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C |r|

BDBM525349

CCC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)c(F)c1

BDBM525348

CCC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)cn1

BDBM525353

CCC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)c(F)c1

BDBM525335

CCC(C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1

BDBM50503350

CCCCOc1c(c[nH]c2nncc12)C(=O)c1c(F)cc(C)cc1F

BDBM619421

CCCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM50267480

CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|

BDBM50347924

CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1

BDBM525354

CCN(CC)C\C=C\C(=O)Nc1ccc(cc1F)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1

BDBM525378

CCN(CC)C\C=C\C(=O)Nc1ccc(cn1)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1

BDBM526580

CCN(CC)C\C=C\C(=O)Nc1cccc(CNc2nc(NC3CCOCC3)nc3c(cnn23)C(C)C)c1

BDBM50583189

CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM50606946

CCN1CCN(CC1)c1ccc(Nc2ncc3nc(C(C)=O)c(=O)n(C4CCCC4)c3n2)cc1

BDBM50110183

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1

BDBM530369

CCN1CC[C@@H]([C@H](C1)c1cccc(C)c1)C(=O)N1Cc2nc(NCc3ccn(C)n3)ncc2C[C@H]1C |r|

BDBM50588664

CCN1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM619486

CCN[C@H]1CCC[C@@H]1Nc1ncc(c(n1)-c1c[nH]c2c(Br)c(NC(=O)OC)ccc12)C(F)(F)F |r|

BDBM619487

CCN[C@H]1CCC[C@@H]1Nc1ncc(c(n1)-c1c[nH]c2c(c(NC(=O)OC)ccc12)C(F)(F)F)C(F)(F)F |r|

BDBM50503352

CCNc1cc(N[C@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,wD:7.6,(-2.06,7.78,;-2.83,6.45,;-4.37,6.45,;-5.14,5.11,;-4.37,3.78,;-5.14,2.45,;-4.37,1.11,;-5.14,-.22,;-6.68,-.22,;-7.45,-1.55,;-6.68,-2.89,;-7.45,-4.22,;-5.14,-2.89,;-4.37,-1.55,;-6.68,2.45,;-7.45,3.78,;-8.99,3.78,;-9.46,2.32,;-10.97,2,;-11.44,.53,;-10.41,-.61,;-10.57,-2.14,;-11.91,-2.91,;-13.24,-2.14,;-13.24,-.6,;-14.57,.17,;-15.91,-.6,;-15.91,-2.14,;-14.57,-2.91,;-9.17,-2.77,;-8.14,-1.63,;-8.91,-.29,;-8.43,1.17,;-6.68,5.11,)|

BDBM472682

CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O

BDBM619419

CCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(F)(F)F |r|

BDBM619418

CCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619518

CCOC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619492

CCOC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619458

CCOC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM50124027

CCOC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1

BDBM619471

CCOc1c(NC(=O)OC)ccc2c(c[nH]c12)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619525

CCOc1c(NC(=O)OC)ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619503

CCOc1c(NC(=O)OC)ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM530398

CC[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM50154937

CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM50244787

CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|

BDBM530399

CC[C@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM525410

CCc1cc(NC(=O)C(C)c2cccc(c2)-c2ccc(NC(=O)C=C)cc2)n[nH]1

BDBM525330

CCc1cc(NC(=O)C(C)c2cccc(c2)-c2ccc(NC(=O)\C=C\CN(C)C)cc2)n[nH]1

BDBM50585779

CCc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|

BDBM525406

CCc1cc(Nc2cccc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2)n[nH]1

BDBM526556

CCc1ccc(NC(=O)C2COCCN2C(=O)C=C)cc1CNc1nc(NC2CCOCC2)nc2c(cnn12)C(C)C

BDBM50525158

CCc1cccc(Nc2ncc3CCCCc3n2)c1

BDBM619453

CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(NC(=O)OC)ccc12 |r|

BDBM50139171

CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|

BDBM526616

CCc1cnn2c(NCc3cccc(NC(=O)C4CCN(CC4)C(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12

BDBM526617

CCc1cnn2c(NCc3cccc(NC(=O)[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c3)nc(OC3CCN(C)CC3)nc12 |r,wU:17.16,20.23,(9.68,-6.96,;8.19,-6.56,;7.79,-5.07,;8.7,-3.82,;7.79,-2.58,;6.33,-3.05,;4.99,-2.28,;4.99,-.74,;3.66,.03,;3.66,1.57,;4.99,2.34,;4.99,3.88,;3.66,4.65,;2.33,3.88,;.99,4.65,;-.34,3.88,;-.34,2.34,;-1.68,4.65,;-1.68,6.19,;-3.01,6.96,;-4.34,6.19,;-4.34,4.65,;-3.01,3.88,;-5.68,6.96,;-7.01,6.19,;-7.01,4.65,;-8.34,6.96,;-9.68,6.19,;2.33,2.34,;3.66,-3.05,;3.66,-4.59,;2.33,-5.36,;.99,-4.59,;-.34,-5.36,;-1.68,-4.59,;-1.68,-3.05,;-3.01,-2.28,;-.34,-2.28,;.99,-3.05,;4.99,-5.36,;6.33,-4.59,)|

BDBM50528815

CCc1cnn2c(Nc3cccc(NC(=O)C=C)c3)cc(nc12)N1CCCC[C@H]1CCO |r|

BDBM144315

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1

BDBM530297

CCn1ccc(CNc2ncc3C[C@@H](C)N(Cc3n2)C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)n1 |r|

BDBM50073765

CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12

BDBM572109

CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM619408

CN(C)C(=O)Oc1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM148264

CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1

BDBM572047

CN(C)C(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572076

CN(C)C(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM619409

CN(C)C(=O)n1cc(-c2nc(N[C@H]3CCC(C)(C)NC3)ncc2C(F)(F)F)c2ccc(O)cc12 |r|

BDBM476714

CN(C)CCNC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C

BDBM476733

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)C3CCN(CC3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476725

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)[C@@H]3CCCN(C3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476726

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)[C@H]3CCCN(C3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476738

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)[C@H]3CC[C@@H](CC3)NC(=O)C=C)n[nH]c2C1(C)C)c1ccccc1 |r,wU:4.4,15.14,wD:18.21,(6.9,7.14,;6.9,5.6,;8.23,4.83,;5.56,4.83,;4.23,5.6,;2.9,4.83,;1.56,5.6,;1.56,7.14,;.23,4.83,;.07,3.3,;-1.44,2.98,;-2.47,1.83,;-2.15,.33,;-3.29,-.7,;-4.76,-.23,;-2.97,-2.21,;-1.51,-2.69,;-1.19,-4.19,;-2.33,-5.22,;-3.8,-4.75,;-4.12,-3.24,;-2.01,-6.73,;-3.16,-7.76,;-4.62,-7.28,;-2.84,-9.27,;-3.98,-10.3,;-3.88,2.46,;-3.72,3.99,;-2.21,4.31,;-1.18,5.45,;-.72,6.92,;-2.2,6.61,;4.23,7.14,;2.9,7.91,;2.9,9.45,;4.23,10.22,;5.56,9.45,;5.56,7.91,)|

BDBM50526795

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM476752

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n(C)nc2C1(C)C)c1ccccc1 |r|

BDBM476734

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476741

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C11CC1)c1ccccc1 |r|

BDBM476744

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C11CCCCC1)c1ccccc1 |r|

BDBM476747

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2[C@@H]1c1ccccc1)c1ccccc1 |r|

BDBM476745

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2[C@H]1c1ccccc1)c1ccccc1 |r|

BDBM476732

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3cccc(NC(=O)C=C)c3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476750

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3cccc(NC(=O)C=C)c3)nn(C)c2C1(C)C)c1ccccc1 |r|

BDBM476724

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476731

CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCC(CC3)NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1 |r,wD:4.4,(7.77,6.85,;9.02,5.95,;9.79,7.28,;9.79,4.61,;9.02,3.28,;7.48,3.28,;6.71,4.61,;7.48,5.95,;5.17,4.61,;4.26,3.37,;2.8,3.84,;1.34,3.37,;.86,1.9,;-.65,1.58,;-1.12,.12,;-2.63,-.2,;-3.66,.94,;-3.18,2.41,;-1.68,2.73,;-5.17,.62,;-6.2,1.77,;-5.72,3.23,;-7.7,1.45,;-8.18,-.02,;-9.69,-.34,;-10.72,.81,;-12.22,.49,;-13.25,1.63,;-12.78,3.1,;-14.76,1.31,;-15.79,2.46,;-10.24,2.27,;-8.73,2.59,;.43,4.61,;1.34,5.86,;2.8,5.38,;4.26,5.86,;5.4,6.9,;3.96,7.37,;9.79,1.95,;11.33,1.95,;12.1,.61,;11.33,-.72,;9.79,-.72,;9.02,.61,)|

BDBM476740

CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCCN(C3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476727

CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476739

CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCN(CC3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476728

CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCN(CC3)C(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476729

CN(C)C[C@@H](NC(=O)N1Cc2c(N[C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476730

CN(C)C[C@@H](NC(=O)N1Cc2c(N[C@@H]3CCC[C@H](C3)NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476723

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM50526807

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476716

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccc(NC(=O)c4cccc(NC(=O)C=C)c4)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476722

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)C=C)c3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM50526803

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM476718

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4cccc(NC(=O)C=C)c4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM101536

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM476756

CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)nn(C)c2C1(C)C)c1ccccc1 |r|

BDBM572121

CN(C)C\C=C\C(=O)N(C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572124

CN(C)C\C=C\C(=O)N1CCCc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572119

CN(C)C\C=C\C(=O)N1CCOc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM525329

CN(C)C\C=C\C(=O)Nc1ccc(cc1)-c1cccc(CC(=O)Nc2cc([nH]n2)C2CC2)c1

BDBM50540080

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50528813

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM572101

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572111

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|

BDBM572100

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM50528811

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM476721

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)c1 |r|

BDBM525412

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2n[nH]c3ccccc23)c1

BDBM50110178

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

BDBM572118

CN(C)C\C=C\C(=O)Nc1ccc(cc1C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572117

CN(C)C\C=C\C(=O)Nc1ccc(cc1Cl)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572103

CN(C)C\C=C\C(=O)Nc1ccc(cc1F)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM50528812

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50528814

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50526794

CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM443114

CN1CC2(CCCCC2)N(C1=O)c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1

BDBM526632

CN1CCC(CC1)Oc1nc(NCc2cccc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)C=C)c2)n2ncc(C3CC3)c2n1 |r,wD:21.21,24.28,(-2.81,-1.74,;-1.48,-2.51,;-1.48,-4.05,;-.14,-4.82,;1.19,-4.05,;1.19,-2.51,;-.14,-1.74,;2.53,-4.82,;3.86,-4.05,;3.86,-2.51,;5.19,-1.74,;5.19,-.2,;3.86,.57,;3.86,2.11,;5.19,2.88,;5.19,4.42,;3.86,5.19,;2.53,4.42,;1.19,5.19,;-.14,4.42,;-.14,2.88,;-1.48,5.19,;-2.81,4.42,;-4.14,5.19,;-4.14,6.73,;-2.81,7.5,;-1.48,6.73,;-5.48,7.5,;-6.81,6.73,;-6.81,5.19,;-8.14,7.5,;-9.48,6.73,;2.53,2.88,;6.53,-2.51,;7.99,-2.03,;8.9,-3.28,;7.99,-4.53,;8.39,-6.01,;7.99,-7.5,;9.48,-7.1,;6.53,-4.05,;5.19,-4.82,)|

BDBM50585785

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CC5CCC(C4)O5)c(cc3F)C#N)cc2n1 |r|

BDBM50585772

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CCOCC4)c(cc3F)C#N)cc2n1 |r|

BDBM50585778

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(OC4CCC4)ncc3F)cc2n1 |r|

BDBM50585784

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(c(cc3F)C#N)C(F)(F)F)cc2n1 |r|

BDBM50585767

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCN(CC3)C(C)=O)cc2n1 |r|

BDBM50585766

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCOCC3)cc2n1 |r|

BDBM50585781

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(F)(F)F)cc2n1 |r|

BDBM50585786

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(N)=O)cc2n1 |r|

BDBM50585775

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCCC3)cc2n1 |r|

BDBM50585771

CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCOCC3)cc2n1 |r|

BDBM619381

CN1CCC[C@@H](C1)Nc1ncc(c(n1)-c1c[nH]c2cc(ccc12)N1CCCC1=O)C(F)(F)F |r|

BDBM50539763

CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12

BDBM476719

CN1CCN(CC1)C(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C

BDBM472681

CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1

BDBM472680

CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1

BDBM472673

CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1

BDBM472678

CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1

BDBM472675

CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1

BDBM472683

CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1 |c:17,t:19|

BDBM472677

CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1

BDBM50447512

CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1

BDBM50606945

CN1CCN(CC1)c1ccc(Nc2ncc3nc(C(C)=O)c(=O)n(C4CCCC4)c3n2)cc1

BDBM443123

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccccc2)nc1 |c:21|

BDBM443124

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccoc2)nc1 |c:21|

BDBM443125

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccsc2)nc1 |c:21|

BDBM443115

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)N(Cc3ccccc3)CC22CCCCC2)nc1

BDBM443113

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)NCC22CCCCC2)nc1

BDBM443117

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1

BDBM443116

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC2=O)nc1

BDBM50568693

CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3cccnc23)c1

BDBM50568688

CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3ncccc23)c1

BDBM50568689

CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2cn(C)c3ncccc23)c1

BDBM530416

CN1CCN([C@H](C1)c1ccccc1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2CC1(C)C |r|

BDBM530414

CN1CC[C@@H]([C@H](C1)c1cccc(C)c1)C(=O)N1Cc2nc(Nc3cnn(C)c3)ncc2[C@@H]2C[C@H]12 |r|

BDBM530405

CN1CC[C@@H]([C@H](C1)c1ccccc1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C(C)(C)C1 |r|

BDBM530402

CN1CC[C@@H]([C@H](C1)c1ccccc1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2CC1(C)C |r|

BDBM530410

CN1CC[C@@H]([C@H](C1)c1ccccc1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2[C@@H]2C[C@H]12 |r|

BDBM530403

CN1CC[C@@H]([C@H](C1)c1ccccc1)C(=O)N1Cc2nc(NCc3ccn(C)n3)ncc2CC1(C)C |r|

BDBM530411

CN1CC[C@@H]([C@H](C1)c1ccccc1)C(=O)N1Cc2nc(Nc3cnn(C)c3)ncc2[C@@H]2C[C@H]12 |r|

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM530413

CN1CC[C@H]([C@@H](C1)c1cccc(C)c1)C(=O)N1Cc2nc(Nc3cnn(C)c3)ncc2[C@@H]2C[C@H]12 |r|

BDBM50193086

CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM50588665

CN1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM50363196

CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|

BDBM572075

CNC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM31545

CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21

BDBM139540

CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM2579

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM619477

COC(=O)N(C)c1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619534

COC(=O)N(C)c1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619528

COC(=O)N(C)c1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619527

COC(=O)N(C)c1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619539

COC(=O)N(C)c1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619526

COC(=O)N(C)c1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619529

COC(=O)N(C)c1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619530

COC(=O)N(C)c1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619478

COC(=O)N(C)c1ccc2c(c[nH]c2c1P(C)(C)=O)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619417

COC(=O)N(C)c1ccc2c(cn(C)c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619551

COC(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|

BDBM619392

COC(=O)Nc1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619436

COC(=O)Nc1ccc2c(c[nH]c2c1-c1ccccc1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619444

COC(=O)Nc1ccc2c(c[nH]c2c1-c1cnn(C)c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619402

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2C3CCNC23)ncc1C(F)(F)F

BDBM619407

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3(CC(N)C3)C2)ncc1C(F)(F)F |(-8.58,5.38,;-8.58,3.84,;-7.25,3.07,;-7.25,1.53,;-5.91,3.84,;-4.58,3.07,;-4.58,1.53,;-3.25,.76,;-1.91,1.53,;-.45,1.06,;.46,2.3,;-.45,3.55,;-1.91,3.07,;-3.25,3.84,;-3.25,5.38,;-.05,-.43,;1.44,-.83,;1.84,-2.32,;3.32,-2.72,;4.41,-1.63,;5.95,-1.63,;5.95,-.09,;7.49,-.09,;7.49,1.45,;8.58,2.54,;5.95,1.45,;4.41,-.09,;.75,-3.41,;-.74,-3.01,;-1.14,-1.52,;-2.63,-1.12,;-3.03,.36,;-3.72,-2.21,;-4.11,-.72,)|

BDBM619395

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3(CNC3)C2)ncc1C(F)(F)F

BDBM619404

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3CNCC3C2)ncc1C(F)(F)F

BDBM619399

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@@H](N)C2)ncc1C(F)(F)F |r|

BDBM619434

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@@H]2N)ncc1C(F)(F)F |r|

BDBM619398

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@H](N)C2)ncc1C(F)(F)F |r|

BDBM619433

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@H]2N)ncc1C(F)(F)F |r|

BDBM619437

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCNC2)ncc1C(F)(F)F |r|

BDBM619432

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CC[C@@H](N)C2)ncc1C(F)(F)F |r|

BDBM619431

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CC[C@H](N)C2)ncc1C(F)(F)F |r|

BDBM619400

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2[C@H]3CNC[C@@H]23)ncc1C(F)(F)F |r|

BDBM619412

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619448

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|

BDBM619507

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619451

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1Br |r|

BDBM619452

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C |r|

BDBM619454

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(C)C |r|

BDBM619377

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619447

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1Cl |r|

BDBM619397

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H](N)C2)ncc1C(F)(F)F |r|

BDBM619405

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H](O)C2)ncc1C(F)(F)F |r|

BDBM619443

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H]2N)ncc1C(F)(F)F |r|

BDBM619396

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@H](N)C2)ncc1C(F)(F)F |r|

BDBM619406

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@H](O)C2)ncc1C(F)(F)F |r|

BDBM619435

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@H]2N)ncc1C(F)(F)F |r|

BDBM619415

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCNC2)ncc1C(F)(F)F |r|

BDBM619508

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619429

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CC[C@@H](N)C2)ncc1C(F)(F)F |r|

BDBM619509

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619430

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CC[C@H](N)C2)ncc1C(F)(F)F |r|

BDBM619401

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2[C@H]3CNC[C@@H]23)ncc1C(F)(F)F |r|

BDBM619450

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619424

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619378

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619449

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(Oc2ccc(C)nc2)ncc1C(F)(F)F

BDBM619466

COC(=O)Nc1ccc2c(c[nH]c2c1C#C)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619403

COC(=O)Nc1ccc2c(c[nH]c2c1C#N)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619522

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(C)O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619501

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619502

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619535

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619474

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619446

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619499

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=O)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619500

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=O)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619445

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619476

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(F)(F)F |r|

BDBM619411

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619463

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|

BDBM619475

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619485

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619410

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619464

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1Cl |r|

BDBM619514

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619481

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619521

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619524

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619520

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619428

COC(=O)Nc1ccc2c(c[nH]c2c1C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619480

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC(F)(F)C1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619479

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619494

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCC(C)NC2)ncc1C(F)(F)F |r|

BDBM619493

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619538

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619393

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619495

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619496

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619459

COC(=O)Nc1ccc2c(c[nH]c2c1C1CCOC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619460

COC(=O)Nc1ccc2c(c[nH]c2c1C1COC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619473

COC(=O)Nc1ccc2c(c[nH]c2c1CC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619462

COC(=O)Nc1ccc2c(c[nH]c2c1CC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|

BDBM619491

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(NC2CNC3CC3C2)ncc1C(F)(F)F

BDBM619513

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@@H]2CNC(C)=CC2)ncc1C(F)(F)F |r,c:25|

BDBM619456

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619510

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC(C)NC2)ncc1C(F)(F)F |r|

BDBM619457

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619532

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619455

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619511

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619512

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619470

COC(=O)Nc1ccc2c(c[nH]c2c1OC(C)C)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619483

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619472

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|

BDBM619489

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619490

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1Cl |r|

BDBM619482

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619484

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619537

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619488

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619498

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@@H]2CNC(C)=CC2)ncc1C(F)(F)F |r,c:26|

BDBM619497

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619414

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619531

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619413

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619505

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619506

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619469

COC(=O)Nc1ccc2c(c[nH]c2c1OC1CCC1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619468

COC(=O)Nc1ccc2c(c[nH]c2c1OC1CCCC1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619467

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619461

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|

BDBM619515

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619504

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619516

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619517

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619390

COC(=O)Nc1ccc2c(c[nH]c2c1P(C)(C)=O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619545

COC(=O)Nc1ccc2c(c[nH]c2c1P1(=O)CCCC1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619440

COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)(=O)C(C)C)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619439

COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)(=O)C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619441

COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619465

COC(=O)Nc1ccc2c(c[nH]c2c1SC(C)C)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619442

COC(=O)Nc1ccc2c(c[nH]c2c1SC(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619416

COC(=O)Nc1ccc2c(cn(C)c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM525404

COC(=O)[C@@H]1CCCN1C\C=C\C(=O)Nc1ccc(cn1)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1 |r|

BDBM525391

COCCN(C)C\C=C\C(=O)Nc1ccc(cn1)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1

BDBM530378

COCCN1CC[C@@H]([C@H](C1)c1cccc(C)c1)C(=O)N1Cc2nc(NCc3ccccc3)ncc2C[C@H]1C |r|

BDBM530376

COCCN1CC[C@@H]([C@H](C1)c1cccc(C)c1)C(=O)N1Cc2nc(NCc3ccn(C)n3)ncc2C[C@H]1C |r|

BDBM50466210

COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)|

BDBM619438

COCCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM526631

COCCOCCOc1nc(NCc2cccc(NC(=O)C3CCN(C3)C(=O)C=C)c2)n2ncc(C(C)C)c2n1

BDBM526630

COCCOc1nc(NCc2cccc(NC(=O)C3CCN(C3)C(=O)C=C)c2)n2ncc(C(C)C)c2n1

BDBM525394

COC[C@@H]1CCCN1C\C=C\C(=O)Nc1ccc(cn1)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1 |r,w:26.29|

BDBM525393

COC[C@@H]1CCCN1C\C=C\C(=O)Nc1ccc(cn1)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1 |r|

BDBM525400

COC[C@@H]1C[C@H](F)CN1C\C=C\C(=O)Nc1ccc(cn1)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1 |r|

BDBM50553495

COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|

BDBM526597

COC\C=C\C(=O)N1CCC(C1)C(=O)Nc1cccc(CNc2nc(NC3CCOCC3)nc3c(cnn23)C(C)C)c1

BDBM525363

COC\C=C\C(=O)Nc1ccc(cn1)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1

BDBM498185

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)n(C)n1 |r|

BDBM525385

CON(C)C\C=C\C(=O)Nc1ccc(cn1)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1

BDBM530261

CO[C@@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:28.32,14.15,wD:22.24,5.8,2.1,(6.42,-7.66,;5.09,-6.89,;3.75,-7.66,;3.75,-9.2,;2.42,-9.97,;1.08,-9.2,;1.08,-7.66,;2.42,-6.89,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530254

CO[C@@]1(C)CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:29.33,6.9,15.16,2.2,wD:23.25,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;3.75,-6.12,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530420

CO[C@H]1CC[C@@H](CC1)Nc1cc2CN([C@@H](C)Cc2cn1)C(=O)C1CCN(C)CC1c1cccc(C)c1 |r,wU:5.8,wD:14.15,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-1.58,-7.66,;-2.92,-6.89,;-2.92,-5.35,;-4.25,-4.58,;-5.58,-5.35,;-6.92,-4.58,;-5.58,-6.89,;-4.25,-7.66,;-4.25,-9.2,;-2.92,-9.97,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-5.58,-.73,;-6.92,.04,;-6.92,1.58,;-5.58,2.35,;-5.58,3.89,;-4.25,1.58,)|

BDBM530421

CO[C@H]1CC[C@@H](CC1)Nc1cc2CN([C@@H](C)Cc2cn1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(C)c1 |r,wU:5.8,22.24,wD:28.32,14.15,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-1.58,-7.66,;-2.92,-6.89,;-2.92,-5.35,;-4.25,-4.58,;-5.58,-5.35,;-6.92,-4.58,;-5.58,-6.89,;-4.25,-7.66,;-4.25,-9.2,;-2.92,-9.97,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-5.58,-.73,;-6.92,.04,;-6.92,1.58,;-5.58,2.35,;-5.58,3.89,;-4.25,1.58,)|

BDBM530404

CO[C@H]1CC[C@@H](CC1)Nc1ncc2CC3(CC3)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:5.8,29.34,wD:23.26,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-7.12,-5.19,;-6.21,-3.94,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530350

CO[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)C1CCN(C)CC1c1ccnc(C)c1 |r,wU:14.15,5.8,wD:2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-5.58,-.73,;-6.92,.04,;-6.92,1.58,;-5.58,2.35,;-5.58,3.89,;-4.25,1.58,)|

BDBM530324

CO[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@@H]1CCN(C)C[C@H]1c1ccc(C)nc1 |r,wU:22.24,14.15,5.8,wD:28.32,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-5.58,-.73,;-6.92,.04,;-6.92,1.58,;-8.25,2.35,;-5.58,2.35,;-4.25,1.58,)|

BDBM530351

CO[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@@H]1CCN(C)C[C@H]1c1ccnc(C)c1 |r,wU:22.24,14.15,5.8,wD:28.32,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-5.58,-.73,;-6.92,.04,;-6.92,1.58,;-5.58,2.35,;-5.58,3.89,;-4.25,1.58,)|

BDBM530325

CO[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(C)nc1 |r,wU:28.32,14.15,5.8,wD:22.24,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-5.58,-.73,;-6.92,.04,;-6.92,1.58,;-8.25,2.35,;-5.58,2.35,;-4.25,1.58,)|

BDBM530260

CO[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:28.32,14.15,5.8,wD:22.24,2.1,(6.42,-7.66,;5.09,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530352

CO[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccnc(C)c1 |r,wU:28.32,14.15,5.8,wD:22.24,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-5.58,-.73,;-6.92,.04,;-6.92,1.58,;-5.58,2.35,;-5.58,3.89,;-4.25,1.58,)|

BDBM530395

CO[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:28.32,2.1,wD:22.24,5.8,14.15,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;3.75,-9.2,;2.42,-9.97,;1.08,-9.2,;1.08,-7.66,;2.42,-6.89,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530412

CO[C@H]1CC[C@@H](CC1)Nc1ncc2[C@@H]3C[C@@H]3N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:5.8,28.33,wD:22.25,15.15,13.14,2.1,(6.42,-7.66,;5.08,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-6.99,-5.98,;-5.58,-5.35,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM50140257

COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1

BDBM168383

COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1

BDBM525396

COc1cc(NC(=O)C=C)ccc1-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1

BDBM572108

COc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM476754

COc1cc(NC(=O)C=C)ccc1C(=O)Nc1c2CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C(C)(C)c2nn1C |r|

BDBM476736

COc1cc(NC(=O)C=C)ccc1C(=O)Nc1n[nH]c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C |r|

BDBM476753

COc1cc(NC(=O)C=C)ccc1C(=O)Nc1nn(C)c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C |r|

BDBM572120

COc1cc(NC(=O)\C=C\CN(C)C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM525388

COc1cc(ccc1NC(=O)C=C)-c1cccc(c1)C(C)C(=O)Nc1cc([nH]n1)C1CC1

BDBM572106

COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM476737

COc1cc(ccc1NC(=O)C=C)C(=O)Nc1n[nH]c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C |r|

BDBM572116

COc1cc(ccc1NC(=O)\C=C\CN(C)C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM50113739

COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1

BDBM59089

COc1ccc(OC)c2c1[nH]c1ccccc1c2=S

BDBM50274791

COc1ccc(cc1)C(=O)NC1CCN(CC1)c1nccc(Nc2ccc(F)cc2)n1

BDBM50503353

COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1

BDBM572041

COc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572069

COc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572042

COc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572064

COc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM50525157

COc1cccc(Nc2ncc3CCCCc3n2)c1

BDBM526663

COc1nc(NCc2cccc(NC(=O)C3CCN(CC3)C(=O)C=C)c2)n2ncc(C(C)C)c2n1

BDBM619550

CP(C)(=O)c1c(ccc2c(c[nH]c12)-c1nc(N[C@H]2CCC(=O)NC2)ncc1C(F)(F)F)C#N |r|

BDBM572046

CS(=O)(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572068

CS(=O)(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM50269948

CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1

BDBM525324

C[C@@H](C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1 |r|

BDBM525333

C[C@@H](C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCOCC2)nc1 |r|

BDBM530273

C[C@@H](Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 |r|

BDBM530272

C[C@@H](Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)c1ccccn1 |r|

BDBM530294

C[C@@H](Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)c1ccn(C)n1 |r|

BDBM50511926

C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|

BDBM530365

C[C@@H]1CN(C)CC[C@H]1C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM530401

C[C@@H]1CN(Cc2nc(NC3CCOCC3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530371

C[C@@H]1CN([C@@H](C)c2nc(NC3CCOCC3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530373

C[C@@H]1CN([C@H](C)c2nc(NC3CCOCC3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530393

C[C@@H]1C[C@@H]([C@H](CN1C)c1ccccc1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM530321

C[C@@H]1Cc2cnc(NC(C)(C)c3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530275

C[C@@H]1Cc2cnc(NC3CC(C)(C)OC(C)(C)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530303

C[C@@H]1Cc2cnc(NC3CCC(F)(F)CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530268

C[C@@H]1Cc2cnc(NC3CCN(CC(F)(F)F)CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530284

C[C@@H]1Cc2cnc(NC3CCN(CC3)C(=O)C3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530282

C[C@@H]1Cc2cnc(NC3CCN(CC3)C(=O)CC3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530265

C[C@@H]1Cc2cnc(NC3CCN(CC3)C3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530276

C[C@@H]1Cc2cnc(NC3CCN(CC3)C3COC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1

BDBM530424

C[C@@H]1Cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530264

C[C@@H]1Cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530425

C[C@@H]1Cc2cnc(NC3CCN(CC3)S(=O)(=O)N(C)C)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530423

C[C@@H]1Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530326

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)C1CCN(C)CC1C1CC1 |r|

BDBM530347

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)C1CCN(C)CC1c1ccnc(C)c1 |r|

BDBM530415

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530422

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)N1CCNC[C@@H]1c1ccccc1 |r|

BDBM530360

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1C(F)(F)F |r|

BDBM530327

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1C1CC1 |r|

BDBM530323

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccc(C)nc1 |r|

BDBM530336

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccc(Cl)c(F)c1 |r|

BDBM530345

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccc(F)cc1 |r|

BDBM530358

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(C)c1 |r|

BDBM530332

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccnc1 |r|

BDBM530348

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccnc(C)c1 |r|

BDBM530331

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccncc1 |r|

BDBM530391

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CC[C@@H](CN1c1ccccc1)N(C)C |r|

BDBM530390

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CC[C@H](CN1c1ccccc1)N(C)C |r|

BDBM530328

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C1CC1 |r|

BDBM530330

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C1CCOCC1 |r|

BDBM530333

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(C)cc1 |r|

BDBM530337

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(Cl)c(F)c1 |r|

BDBM530354

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(Cl)cc1 |r|

BDBM530329

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(F)c(Cl)c1 |r|

BDBM530335

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(F)cc1 |r|

BDBM530356

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(C)c1 |r|

BDBM530334

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(Cl)c1 |r|

BDBM530355

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(F)c1 |r|

BDBM530286

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530349

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccnc(C)c1 |r|

BDBM530384

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C[C@@H]1c1ccccc1)C1CC1 |r|

BDBM530382

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C[C@@H]1c1ccccc1)C1COC1

BDBM530392

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CN(C)C[C@@H]1c1ccccc1 |r|

BDBM530407

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2[C@@H](C)N1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530408

C[C@@H]1Cc2cnc(NC3CCOCC3)nc2[C@H](C)N1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530428

C[C@@H]1Cc2cnc(NC3CCS(=O)(=O)CC3)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530267

C[C@@H]1Cc2cnc(NC3CCS(=O)(=O)CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530247

C[C@@H]1Cc2cnc(NC3CC[C@@H](CC3)OCC3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:31.36,1.0,wD:25.28,11.14,(-6.92,-4.58,;-5.58,-5.35,;-5.58,-6.89,;-4.25,-7.66,;-4.25,-9.2,;-2.92,-9.97,;-1.58,-9.2,;-.25,-9.97,;1.08,-9.2,;1.08,-7.66,;2.42,-6.89,;3.75,-7.66,;3.75,-9.2,;2.42,-9.97,;5.08,-6.89,;6.42,-7.66,;7.75,-6.89,;8.38,-5.48,;9.28,-6.73,;-1.58,-7.66,;-2.92,-6.89,;-2.92,-5.35,;-4.25,-4.58,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530280

C[C@@H]1Cc2cnc(NC3Cc4ccccc4C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530279

C[C@@H]1Cc2cnc(NCC(=O)N3CCCCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530257

C[C@@H]1Cc2cnc(NCC3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530277

C[C@@H]1Cc2cnc(NCC3CCOC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530259

C[C@@H]1Cc2cnc(NCC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530288

C[C@@H]1Cc2cnc(NCC3CCS(=O)(=O)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530299

C[C@@H]1Cc2cnc(NCC3CN(C)C=C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,c:13|

BDBM530301

C[C@@H]1Cc2cnc(NC[C@@H]3CCOC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530292

C[C@@H]1Cc2cnc(NC[C@H]3CCOC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530283

C[C@@H]1Cc2cnc(NCc3c(F)cccc3F)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530295

C[C@@H]1Cc2cnc(NCc3cc(C(F)F)n(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530304

C[C@@H]1Cc2cnc(NCc3cc(C)n(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530278

C[C@@H]1Cc2cnc(NCc3ccc(C)nc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530289

C[C@@H]1Cc2cnc(NCc3ccc(C)o3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530396

C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=N)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530361

C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1C(F)(F)F |r|

BDBM530362

C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C(F)(F)F |r|

BDBM530309

C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1

BDBM530266

C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530380

C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@H]1CCN(CC2COC2)C[C@@H]1c1ccccc1

BDBM530377

C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@H]1CCN(CCO)C[C@@H]1c1cccc(C)c1 |r|

BDBM530258

C[C@@H]1Cc2cnc(NCc3ccccn3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530427

C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530357

C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(C)c1 |r|

BDBM530363

C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C(F)(F)F |r|

BDBM530368

C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(C)c1 |r|

BDBM530245

C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530359

C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1C(F)F |r|

BDBM530409

C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2[C@@H](C)N1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530246

C[C@@H]1Cc2cnc(NCc3ccn(CC(C)(C)O)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530287

C[C@@H]1Cc2cnc(NCc3ccsc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530302

C[C@@H]1Cc2cnc(NCc3cn(C)cn3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530291

C[C@@H]1Cc2cnc(NCc3cnc(C)[nH]3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530296

C[C@@H]1Cc2cnc(NCc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530300

C[C@@H]1Cc2cnc(NCc3nn(C)cc3C)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530310

C[C@@H]1Cc2cnc(N[C@@H](CO)c3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1

BDBM530250

C[C@@H]1Cc2cnc(N[C@@H]3CCC(=O)N(C)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530248

C[C@@H]1Cc2cnc(N[C@@H]3CCN(C)C(=O)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530263

C[C@@H]1Cc2cnc(N[C@@H]3CCOC(C)(C)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530252

C[C@@H]1Cc2cnc(N[C@@H]3CCOC4(CCC4)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1

BDBM530311

C[C@@H]1Cc2cnc(N[C@H](CO)c3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1

BDBM530251

C[C@@H]1Cc2cnc(N[C@H]3CCC(=O)N(C)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530364

C[C@@H]1Cc2cnc(N[C@H]3CCCNC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C(F)(F)F |r|

BDBM530298

C[C@@H]1Cc2cnc(N[C@H]3CCC[C@H](O)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530249

C[C@@H]1Cc2cnc(N[C@H]3CCN(C)C(=O)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530262

C[C@@H]1Cc2cnc(N[C@H]3CCOC(C)(C)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530253

C[C@@H]1Cc2cnc(N[C@H]3CCOC4(CCC4)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1

BDBM530308

C[C@@H]1Cc2cnc(N[C@H]3CC[C@@H](CC3)OC(F)F)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:30.34,1.0,8.7,wD:24.26,11.14,(-6.92,-4.58,;-5.58,-5.35,;-5.58,-6.89,;-4.25,-7.66,;-4.25,-9.2,;-2.92,-9.97,;-1.58,-9.2,;-.25,-9.97,;1.08,-9.2,;1.08,-7.66,;2.42,-6.89,;3.75,-7.66,;3.75,-9.2,;2.42,-9.97,;5.08,-6.89,;6.42,-7.66,;6.42,-9.2,;7.75,-6.89,;-1.58,-7.66,;-2.92,-6.89,;-2.92,-5.35,;-4.25,-4.58,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530256

C[C@@H]1Cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:27.31,8.7,1.0,wD:21.23,11.11,(-6.92,-4.58,;-5.58,-5.35,;-5.58,-6.89,;-4.25,-7.66,;-4.25,-9.2,;-2.92,-9.97,;-1.58,-9.2,;-.25,-9.97,;1.08,-9.2,;1.08,-7.66,;2.42,-6.89,;3.75,-7.66,;5.08,-6.89,;3.75,-9.2,;2.42,-9.97,;-1.58,-7.66,;-2.92,-6.89,;-2.92,-5.35,;-4.25,-4.58,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530316

C[C@@H]1Cc2cnc(Nc3ccnc(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530314

C[C@@H]1Cc2cnc(Nc3ccnc(c3)C(F)F)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530317

C[C@@H]1Cc2cnc(Nc3ccnn3C)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530338

C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(C)c1 |r|

BDBM530340

C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(OC(F)(F)F)c1 |r|

BDBM530343

C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccccc1F |r|

BDBM530339

C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(C)c1 |r|

BDBM530341

C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(OC(F)(F)F)c1 |r|

BDBM530342

C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(c1)C(F)(F)F |r|

BDBM530318

C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530344

C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1F |r|

BDBM530313

C[C@@H]1Cc2cnc(Nc3cnn(CC(C)(C)O)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530315

C[C@@H]1Cc2cnc(Nc3cnn4CCCCc34)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530375

C[C@@H]1N(CCc2cnc(NC3CCOCC3)nc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM50539907

C[C@@H]1[C@@H](CCCN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|

BDBM525325

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cc1 |r|

BDBM525334

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN2CCOCC2)nc1 |r|

BDBM530274

C[C@H](Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 |r|

BDBM530271

C[C@H](Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)c1ccccn1 |r|

BDBM530293

C[C@H](Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)c1ccn(C)n1 |r|

BDBM50193085

C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|

BDBM530269

C[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:27.31,13.14,4.7,wD:21.23,1.0,(5.09,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM530270

C[C@H]1CC[C@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r,wU:27.31,13.14,4.7,1.0,wD:21.23,(5.09,-6.89,;3.75,-7.66,;3.75,-9.2,;2.42,-9.97,;1.08,-9.2,;1.08,-7.66,;2.42,-6.89,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|

BDBM50539909

C[C@H]1CC[C@H](CN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|

BDBM530366

C[C@H]1CN(C)CC[C@@H]1C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C |r|

BDBM572131

C[C@H]1CN(C[C@@H]1Nc1ncc2ccccc2n1)C(=O)c1ccc(NC(=O)C=C)cc1 |r|

BDBM530400

C[C@H]1CN(Cc2nc(NC3CCOCC3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530372

C[C@H]1CN([C@@H](C)c2nc(NC3CCOCC3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530370

C[C@H]1CN([C@H](C)c2nc(NC3CCOCC3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530418

C[C@H]1Cc2cnc(NC3(COC3)c3ccccc3)cc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1

BDBM530426

C[C@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)N1CCN(C)C[C@H]1c1cccc(F)c1 |r|

BDBM530394

C[C@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530397

C[C@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530419

C[C@H]1Cc2cnc(Nc3cnn(C)c3)cc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM530374

C[C@H]1N(CCc2cnc(NC3CCOCC3)nc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1 |r|

BDBM526594

C\C=C\C(=O)N1CCC1C(=O)Nc1cccc(CNc2nc(NC3CCOCC3)nc3c(cnn23)C(C)C)c1

BDBM498187

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)on1 |r|

BDBM572113

Cc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM525409

Cc1cc(NC(=O)Cc2cccc(c2)-c2ccc(NC(=O)C=C)cc2)n[nH]1

BDBM619548

Cc1cc(Nc2ncc(c(n2)-c2c[nH]c3c(c(ccc23)C#N)P(C)(C)=O)C(F)(F)F)n[nH]1

BDBM619543

Cc1cc(Nc2ncc(c(n2)-c2c[nH]c3cc(ccc23)C#N)C(F)(F)F)n[nH]1

BDBM572110

Cc1cc(cc(F)c1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572127

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|

BDBM572128

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|

BDBM572107

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM50525161

Cc1ccc(Nc2ncc3CCCCc3n2)cc1

BDBM572044

Cc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572067

Cc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572043

Cc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572065

Cc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM50525156

Cc1cccc(Nc2ncc3CCCCc3n2)c1

BDBM50261163

Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r,wU:12.15,10.10,(36.41,-23.55,;35.32,-24.63,;33.83,-24.23,;32.74,-25.33,;33.14,-26.81,;34.63,-27.21,;35.72,-26.12,;35.02,-28.69,;36.54,-29.01,;33.99,-29.84,;32.49,-29.52,;31.2,-30.36,;30.36,-29.07,;31.65,-28.23,;28.86,-28.74,;28.23,-27.34,;26.7,-27.5,;26.37,-29.01,;25.04,-29.78,;23.71,-29.01,;22.38,-29.78,;21.04,-29.01,;21.04,-27.47,;19.7,-26.7,;18.37,-27.47,;18.37,-29.01,;17.04,-29.78,;19.7,-29.78,;25.04,-31.32,;26.37,-32.09,;27.71,-31.32,;27.71,-29.78,)|

BDBM50261164

Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r,wU:12.15,10.10,(26.01,-22.02,;24.92,-23.11,;23.43,-22.71,;22.35,-23.8,;22.75,-25.29,;24.23,-25.68,;25.32,-24.6,;24.63,-27.17,;26.14,-27.49,;23.6,-28.32,;22.09,-28,;20.8,-28.83,;19.97,-27.54,;21.26,-26.71,;18.46,-27.22,;17.83,-25.81,;16.3,-25.98,;15.98,-27.48,;14.65,-28.26,;13.31,-27.48,;11.98,-28.26,;10.65,-27.48,;10.65,-25.94,;9.31,-25.18,;7.98,-25.94,;7.98,-27.48,;6.64,-28.26,;9.31,-28.26,;14.65,-29.8,;15.98,-30.56,;17.31,-29.8,;17.31,-28.26,)|

BDBM50525160

Cc1ccccc1Nc1ncc2CCCCc2n1

BDBM50229973

Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1

BDBM50539922

Cc1nc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)sc1SCc1ncc(o1)C(C)(C)C |r|

BDBM50086655

Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9|

BDBM50375670

Clc1[nH]c2ccccc2c1\C=C1\C(=O)Nc2ccccc12

BDBM572123

Clc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572045

Clc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572071

Clc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572038

Clc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572060

Clc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM50113281

Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1

BDBM50367676

Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|

BDBM50367849

Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wD:16.21,13.14,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|

BDBM50367737

Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N

BDBM619384

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(NC(=O)C3CC3)ccc12 |r|

BDBM619394

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCC1=O |r|

BDBM619380

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCC1=O |r|

BDBM619379

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCCC1=O |r|

BDBM619382

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCOC1=O |r|

BDBM619388

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCOC1=O |r|

BDBM619387

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(NC(=O)C3CC3)ccc12 |r|

BDBM619389

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)N1CCCC1=O |r|

BDBM619425

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)N1CCOC1=O |r|

BDBM619423

FC(F)(F)c1cnc(N[C@H]2CCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCC1=O |r|

BDBM619422

FC(F)(F)c1cnc(N[C@H]2CCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCOC1=O |r|

BDBM50539914

FC(F)(F)c1ncc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)cn1 |r|

BDBM572098

F[C@H]1CN(C[C@@H]1Nc1ncc2ccccc2n1)C(=O)c1ccc(NC(=O)C=C)cc1 |r|

BDBM572097

Fc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572040

Fc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572070

Fc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572039

Fc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572104

Fc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)ncc2c1 |r|

BDBM572063

Fc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572125

Fc1cccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc12 |r|

BDBM572126

Fc1cccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc12 |r|

BDBM50588663

Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2C(=O)NCCc2c1

BDBM50563486

NC(=O)c1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F

BDBM572048

NC(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572074

NC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM50437236

NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)|

BDBM50202299

NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1

BDBM50235342

NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1

BDBM50525155

NS(=O)(=O)c1cccc(Nc2ncc3CCCCc3n2)c1

BDBM50503351

Nc1cc(Nc2ccc(cc2)S(N)(=O)=O)ncn1

BDBM7534

Nc1n[nH]c2nc3ccccc3nc12

BDBM6878

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F

BDBM572105

O=C(Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1)C#C |r|

BDBM525417

O=C(Nc1ccc(cn1)-c1cccc(c1)C1(CC1)C(=O)Nc1cc([nH]n1)C1CC1)\C=C\CN1CCCC1

BDBM50205472

O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|

BDBM2672

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21

BDBM153742

O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1

BDBM572049

OC(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572073

OC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM65549

OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1

BDBM50585749

OCc1ccn(n1)-c1ccc(Nc2cc3nc(OC4CCNCC4)ccc3cn2)c(F)c1

BDBM50012188

O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12

BDBM526547

[#6]-[#6](-[#6])-c1cnn2c(-[#7]-[#6]-c3cccc(-[#7]-[#6](=O)-[#6]-4-[#6]-[#6]-[#7]-4-[#6](=O)\[#6]=[#6](\[#6])-[#6])c3)nc(-[#7]-[#6]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)nc12

BDBM50561527

[H][C@@]12CC[C@@]([H])(C1)[C@H](C2)Nc1nc(N)c(s1)C(=O)c1ccccc1[N+]([O-])=O |r,TLB:9:7:3.2:6|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM50505542

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

BDBM50525159

[O-][N+](=O)c1cccc(Nc2ncc3CCCCc3n2)c1