SMILES for Tyrosine-protein kinase Lyn

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

BDBM16673

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

BDBM31096

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

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM1773

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C

BDBM139539

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O

BDBM139540

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

BDBM50400047

c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N

BDBM50430875

Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1

BDBM50357312

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

BDBM97672

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23

BDBM225230

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

BDBM236557

Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1

BDBM243041

CN1CCN(CC1)[C@H]1CCC(CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wD:7.7,(26.44,-17.33,;25.67,-18.66,;25.16,-19.93,;25.3,-21.48,;23.96,-22.25,;24.33,-20.97,;24.33,-19.43,;22.48,-22.65,;22.48,-21.11,;21.14,-20.34,;19.81,-21.11,;19.81,-22.65,;21.14,-23.42,;18.32,-20.71,;19.23,-19.47,;18.32,-18.22,;18.8,-16.76,;20.3,-16.44,;20.78,-14.97,;19.75,-13.83,;20.22,-12.36,;21.73,-12.04,;22.76,-13.19,;24.27,-12.87,;24.74,-11.4,;23.71,-10.26,;22.21,-10.58,;18.24,-14.15,;17.77,-15.61,;16.86,-18.7,;15.52,-17.93,;15.52,-16.39,;14.19,-18.7,;14.19,-20.24,;15.52,-21.01,;16.86,-20.24,)|

BDBM264280

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264281

CCn1c2cc(Nc3ncc(CCN(C)C)s3)ncc2cc(-c2ccccc2)c1=O

BDBM264282

CCN(CC)CCOc1cnc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264283

CCn1c2cc(Nc3ccc(cn3)C(=O)N3CCOCC3)ncc2cc(-c2ccccc2)c1=O

BDBM264284

CCn1c2cc(Nc3cc(nc(C)n3)N3CCN(CCO)CC3)ncc2cc(-c2ccccc2)c1=O

BDBM264285

CCn1c2cc(Nc3cnccn3)ncc2cc(-c2ccccc2)c1=O

BDBM264286

CCn1c2cc(Nc3ccccn3)ncc2cc(-c2ccccc2)c1=O

BDBM264287

CCn1c2cc(Nc3ncc(C)s3)ncc2cc(-c2ccccc2)c1=O

BDBM264288

CCn1c2cc(Nc3ncc(C)o3)ncc2cc(-c2ccccc2)c1=O

BDBM264289

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccsc2)c1=O

BDBM264290

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2cccs2)c1=O

BDBM264291

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C2CCCCC2)c1=O

BDBM264292

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C(C)C)c1=O

BDBM264293

CCN(CC)CCOc1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264294

CCN(CC)CCOc1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264295

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCN(C)CC4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264296

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264297

CCN(CC)CCOc1ccc(Nc2cc3n(-c4ccccc4)c(=O)c(cc3cn2)C(C)C)nc1

BDBM264298

CCc1cc2cnc(Nc3ccc(C)cn3)cc2n(CC)c1=O

BDBM264299

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(CC(C)C)c1=O

BDBM264300

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CC)c1=O

BDBM264301

CCN(CC)CCOc1ccc(Nc2cc3n(C(C)C)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264302

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264303

CCN(CC)CCOc1ccc(Nc2cc3n(CCOC)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264304

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264305

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccc(F)cc2)c1=O

BDBM264306

CCN(CC)CCOc1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264307

CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264308

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2cccc(F)c2)c1=O

BDBM264309

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C2CC2)c1=O

BDBM264310

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C2CCCC2)c1=O

BDBM264311

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CCOC)c1=O

BDBM264312

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C(C)=O)c1=O

BDBM264313

CCN(CC)CCOc1ccc(Nc2cc3n(C(C)C)c(=O)c(cc3cn2)C(C)C)nc1

BDBM264314

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccccc2F)c1=O

BDBM264315

CCN(CC)CCOc1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)C(C)C)nc1

BDBM264316

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C2CCC2)c1=O

BDBM264317

CCOC(=O)\C=C\c1cc2cnc(Nc3ccc(C)cn3)cc2n(CC)c1=O

BDBM264318

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CC(C)(C)C)c1=O

BDBM264319

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccc(C)cc2)c1=O

BDBM264320

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2cccc(C)c2)c1=O

BDBM264321

CCn1c2cc(Nc3nccs3)ncc2cc(-c2ccccc2)c1=O

BDBM264322

CCn1c2cc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2cc(-c2ccccc2)c1=O

BDBM264323

CCn1c2cc(Nc3ccc(cn3)N3CCOCC3)ncc2cc(-c2ccccc2)c1=O

BDBM264324

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccccc2C)c1=O

BDBM264325

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)C(C)C)nc1

BDBM264326

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)C(C)C)nc1

BDBM264327

CCn1c2cc(Nc3ccc(OCCN(C)C)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264328

CCN(CC)CCOc1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)C(C)C)nc1

BDBM264329

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)C(C)C)nc1

BDBM264330

CCn1c2cc(Nc3ccc(OC)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264331

CCn1c2cc(Nc3ccc(O)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264332

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CCO)c1=O

BDBM264333

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CC(C)(C)O)c1=O

BDBM264334

CCN(CC)CCOc1ccc(Nc2cc3n(C(C)CCO)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264335

CCN(CC)CCOc1ccc(Nc2cc3n(-c4ccccc4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264336

CCN(CC)CCOc1ccc(Nc2cc3n(CCOC)c(=O)c(cc3cn2)C(C)C)nc1

BDBM264337

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCN(C)C4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264338

CCN(CC)CCOc1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)C(C)C)nc1

BDBM264339

CCn1c2cc(Nc3ccncn3)ncc2cc(-c2ccccc2)c1=O

BDBM264340

CCn1c2cc(Nc3ccc(OC)nn3)ncc2cc(-c2ccccc2)c1=O

BDBM264341

CCn1c2cc(Nc3ccnc(OC)n3)ncc2cc(-c2ccccc2)c1=O

BDBM264342

CCn1c2cc(Nc3ccnc(O)n3)ncc2cc(-c2ccccc2)c1=O

BDBM264343

CCn1c2cc(Nc3ccc(cn3)N(C)C)ncc2cc(-c2ccccc2)c1=O

BDBM264344

CCN(CC)CCOc1ccc(Nc2cc3n(CC4CCN(C)C4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264345

CCn1c2cc(Nc3ccc(NCCO)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264346

CCn1c2cc(Nc3ccc(NCCN(C)C)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264347

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2nccs2)c1=O

BDBM264348

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(c1=O)C(C)(C)O

BDBM264349

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264350

CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2ccccc2Cl)c1=O

BDBM264351

CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2ccccc2F)c1=O

BDBM264352

CCN(CC)CCOc1ccc(Nc2cc3n(CCN(C)C)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264353

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCCCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264354

CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(2,-1.93,;.67,-1.16,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.16,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.24,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.46,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;4.67,5.77,;6,5,;6,3.46,;4.67,2.69,;4.67,1.16,;2,1.15,;3.33,.38,)|

BDBM264355

CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2,-1.93,;.67,-1.16,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.16,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.24,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.46,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;4.67,5.77,;6,5,;6,3.46,;4.67,2.69,;4.67,1.16,;2,1.15,;3.33,.38,)|

BDBM264356

Fc1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.24,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.16,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.16,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,;-3.33,2.69,;3.33,3.46,;3.33,5,;2,5.78,;4.67,5.77,;6,5,;6,3.46,;4.67,2.69,;4.67,1.16,;-6,-1.93,;-6,-3.47,)|

BDBM264357

CC(C)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(2,-1.93,;.67,-1.15,;-.67,-1.93,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;2,1.15,;3.33,.38,)|

BDBM264358

CN1CCC(CC1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(.67,-5.78,;.67,-4.23,;2,-3.47,;2,-1.93,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;2,1.15,;3.33,.38,)|

BDBM264359

Fc1ccc(Nc2cc3n(C4CCOCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|

BDBM264360

Fc1ccc(Nc2cc3n(-c4ccccc4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|

BDBM264361

CCN(CC)CCOc1ccc(Nc2cc3n(-c4ccncc4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264362

Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|

BDBM264363

CCN(CC)CCOc1ccc(Nc2cc3n(-c4cccnc4)c(=O)c(cc3cn2)-c2ccccc2)nc1

BDBM264364

CN1CCC(C1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(2.21,-4.86,;1.44,-3.52,;-.1,-3.52,;-.58,-2.06,;.67,-1.15,;1.91,-2.06,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;2,1.15,;3.33,.38,)|

BDBM264365

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2)cc1

BDBM264366

CCn1c2cc(Nc3ccc(C)cn3)ncc2ccc1=O

BDBM264367

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(Br)c1=O

BDBM264368

CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(I)c1=O

BDBM264371

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-10.67,-1.54,;-9.34,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;4,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;-2.67,-1.54,;-4,-.77,)|

BDBM264372

CCn1c2cc(Nc3ccc(OCCN4CCN(C)CC4)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4.67,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-8.67,-.77,;-10,-1.54,;-10,-3.08,;-11.34,-3.85,;-8.67,-3.85,;-7.34,-3.08,;-3.33,-.77,;-2,-1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;8.67,3.08,;7.34,3.85,;10,3.85,;11.34,3.08,;11.34,1.54,;10,.77,;10,-.77,;7.34,-.77,;8.67,-1.54,)|

BDBM264373

CCn1c2cc(Nc3ccc(OCCN4CCOCC4)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-3.85,;-8,-3.08,;-4,-.77,;-2.67,-1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|

BDBM264374

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-9.34,.77,;-8,1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|

BDBM264375

CCn1c2cc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;-4,-.77,;-2.67,-1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|

BDBM264376

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)ccc(Cl)c2F)nc1 |(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-10,-3.85,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-3.33,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;8.67,3.85,;10,3.08,;10,1.54,;11.34,.77,;8.67,.77,;8.67,-.77,;-3.33,-1.54,;-4.67,-.77,)|

BDBM264377

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)cc(Cl)cc2F)nc1 |(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-10,-3.85,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-3.33,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;8.67,3.85,;10,3.08,;11.34,3.85,;10,1.54,;8.67,.77,;8.67,-.77,;-3.33,-1.54,;-4.67,-.77,)|

BDBM264378

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2C)nc1

BDBM264379

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2F)nc1

BDBM264380

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-10.67,-1.54,;-9.34,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;-2.67,-1.54,;-4,-.77,)|

BDBM264381

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccn2)nc1

BDBM264382

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2cccnc2)nc1

BDBM264383

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(SC)cc2)nc1

BDBM264384

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2cccc(SC)c2)nc1

BDBM264385

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2Cl)nc1

BDBM264386

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2C(F)(F)F)nc1

BDBM264387

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2OC)nc1 |(-9.34,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;10.67,-1.54,;-2.67,-1.54,;-4,-.77,)|

BDBM264388

CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(O)cccc2Cl)nc1 |(-9.34,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;-2.67,-1.54,;-4,-.77,)|

BDBM264389

CCn1c2cc(Nc3ccc(CN4CCNCC4)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264390

CCn1c2cc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264391

CCn1c2cc(Nc3cccnn3)ncc2cc(-c2ccccc2)c1=O

BDBM264392

CCn1c2cc(Nc3cn(C)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264393

CCn1c2cc(Nc3cn(CCOC)cn3)ncc2cc(-c2ccccc2)c1=O

BDBM264394

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2Cl)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|

BDBM264395

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2cc(SC)ccc2F)c1=O

BDBM264396

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2OC)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;10.67,-1.54,;6.67,-.77,;8,-1.54,)|

BDBM264397

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2cc(OC)ccc2F)c1=O

BDBM264398

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(O)cccc2F)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)|

BDBM264399

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|

BDBM264400

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(O)cccc2Cl)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)|

BDBM264401

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)ccc(F)c2O)c1=O |(6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-6,1.54,;-6,3.08,;-7.34,.77,;-7.34,-.77,;-8.67,-1.54,;-10,-.77,;-11.34,-1.54,;-10,.77,;-8.67,1.54,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;8.67,3.85,;10,3.08,;10,1.54,;11.34,.77,;8.67,.77,;8.67,-.77,;6,-.77,;7.34,-1.54,)|

BDBM264402

CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(C)cc(F)cc2C)c1=O |(6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-6,1.54,;-6,3.08,;-7.34,.77,;-7.34,-.77,;-8.67,-1.54,;-10,-.77,;-11.34,-1.54,;-10,.77,;-8.67,1.54,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;10,1.54,;10,3.08,;11.34,3.85,;8.67,3.85,;7.34,3.08,;6,3.85,;6,-.77,;7.34,-1.54,)|

BDBM264403

OCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-4.62,;4,-3.08,;2.67,-2.31,;2.67,-.77,;1.33,,;,-.77,;-1.33,,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,2.31,;-6.67,1.54,;-8,2.31,;-6.67,,;-5.33,-.77,;-1.33,1.54,;,2.31,;1.33,1.54,;2.67,2.31,;4,1.54,;5.33,2.31,;6.67,1.54,;6.67,,;8,2.31,;8,3.85,;6.67,4.62,;5.33,3.85,;4,4.62,;4,,;5.33,-.77,)|

BDBM264404

COCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(5.33,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;2.67,-.38,;1.33,.38,;,-.38,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-8,2.69,;-6.67,.38,;-5.33,-.38,;-1.33,1.93,;,2.69,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;6.67,1.93,;6.67,.38,;8,2.69,;8,4.23,;6.67,5,;5.33,4.23,;4,5,;4,.38,;5.33,-.38,)|

BDBM264405

NCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-4.62,;4,-3.08,;2.67,-2.31,;2.67,-.77,;1.33,,;,-.77,;-1.33,,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,2.31,;-6.67,1.54,;-8,2.31,;-6.67,,;-5.33,-.77,;-1.33,1.54,;,2.31,;1.33,1.54,;2.67,2.31,;4,1.54,;5.33,2.31,;6.67,1.54,;6.67,,;8,2.31,;8,3.85,;6.67,4.62,;5.33,3.85,;4,4.62,;4,,;5.33,-.77,)|

BDBM264406

COCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(C(C)C)c1=O

BDBM264407

COCCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.93,;5.33,-.39,;4,.38,;2.67,-.39,;1.33,.38,;,-.39,;-1.33,.38,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-4,.38,;-2.67,-.39,;-5.33,2.69,;-5.33,4.23,;-6.67,1.92,;-6.67,.38,;-8,-.39,;-9.34,.38,;-10.67,-.39,;-9.34,1.92,;-8,2.69,;1.33,1.92,;2.67,2.69,;4,1.92,;5.33,2.69,;6.67,1.92,;8,2.69,;9.34,1.92,;9.34,.38,;10.67,2.69,;10.67,4.23,;9.34,5,;8,4.23,;6.67,5,;6.67,.38,;8,-.39,)|

BDBM264408

CN(C)CCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(6.67,-3.47,;5.33,-4.23,;5.33,-5.78,;4,-3.47,;4,-1.93,;2.67,-1.15,;2.67,.38,;1.33,1.15,;,.38,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.47,;-5.33,3.47,;-4,2.69,;-1.33,2.69,;,3.47,;1.33,2.69,;2.67,3.47,;4,2.69,;5.33,3.47,;6.67,2.69,;6.67,1.15,;8,3.47,;8,5,;6.67,5.78,;5.33,5,;4,5.78,;4,1.15,;5.33,.38,)|

BDBM264409

Fc1ccc(Nc2cc3n(CCCN4CCOCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,3.85,;-6.67,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,1.54,;5.33,.77,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,3.85,;8,5.39,;6.67,6.16,;5.33,5.39,;4,6.16,;-5.33,.77,;-6.67,1.54,)|

BDBM264410

CN1CCN(CCCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1 |(-1.33,-6.16,;,-5.39,;,-3.85,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.67,3.08,;-8,3.85,;-6.67,1.54,;-5.33,.77,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,3.85,;8,5.39,;6.67,6.16,;5.33,5.39,;4,6.16,;4,1.54,;5.33,.77,;2.67,-5.39,;1.33,-6.16,)|

BDBM264411

Fc1ccc(Nc2cc3n(CCN4CCOCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,3.85,;-6.67,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;4,1.54,;5.33,.77,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,3.85,;8,5.39,;6.67,6.16,;5.33,5.39,;4,6.16,;-5.33,.77,;-6.67,1.54,)|

BDBM264412

CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1 |(4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-8,4.62,;-6.67,2.31,;-5.33,1.54,;-1.33,3.85,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;8,6.16,;6.67,6.93,;5.33,6.16,;4,6.93,;4,2.31,;5.33,1.54,;5.33,-3.08,;5.33,-4.62,)|

BDBM264413

CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-9.34,.38,;-8,1.15,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;8,-1.93,;6.67,.38,;5.33,1.15,;4,.38,;2.67,1.15,;1.33,.38,;8,1.15,;9.34,.38,;9.34,-1.15,;10.67,1.15,;10.67,2.69,;9.34,3.47,;8,2.69,;6.67,3.47,;-2.67,-1.93,;-4,-1.15,)|

BDBM264414

CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.36,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-8,-1.26,;-9.34,-.49,;-10.67,-1.26,;-9.34,1.05,;-8,1.82,;-4,1.05,;-2.67,1.82,;-1.33,1.05,;-1.33,-.49,;,-1.26,;1.33,-.49,;2.67,-1.26,;4,-.49,;5.33,-1.26,;5.33,-2.8,;4.56,-4.13,;6.1,-4.13,;6.67,-.49,;8,-1.26,;6.67,1.05,;5.33,1.82,;4,1.05,;2.67,1.82,;1.33,1.05,;8,1.82,;9.34,1.05,;9.34,-.49,;10.67,1.82,;10.67,3.36,;9.34,4.13,;8,3.36,;6.67,4.13,;-2.67,-1.26,;-4,-.49,)|

BDBM264415

CC(C)n1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(6.67,-3.85,;5.33,-3.08,;4,-3.85,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-9.34,.77,;-8,1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)|

BDBM264416

CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-6.67,-.07,;-8,-.84,;-9.34,-.07,;-10.67,-.84,;-9.34,1.47,;-8,2.24,;-4,1.47,;-2.67,2.24,;-1.33,1.47,;-1.33,-.07,;,-.84,;1.33,-.07,;2.67,-.84,;4,-.07,;5.33,-.84,;5.33,-2.38,;4.25,-3.47,;5.33,-4.55,;6.42,-3.47,;6.67,-.07,;8,-.84,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;8,2.24,;9.34,1.47,;9.34,-.07,;10.67,2.24,;10.67,3.78,;9.34,4.55,;8,3.78,;6.67,4.55,;-2.67,-.84,;-4,-.07,)|

BDBM264417

CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.88,;-5.33,2.34,;-6.67,1.57,;-6.67,.03,;-8,-.74,;-9.34,.03,;-10.67,-.74,;-9.34,1.57,;-8,2.34,;-4,1.57,;-2.67,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;2.67,-.74,;4,.03,;5.33,-.74,;5.33,-2.28,;4.09,-3.19,;4.56,-4.65,;6.1,-4.65,;6.58,-3.19,;6.67,.03,;8,-.74,;6.67,1.57,;5.33,2.34,;4,1.57,;2.67,2.34,;1.33,1.57,;8,2.34,;9.34,1.57,;9.34,.03,;10.67,2.34,;10.67,3.88,;9.34,4.65,;8,3.88,;6.67,4.65,;-2.67,-.74,;-4,.03,)|

BDBM264418

CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-10.67,-2.69,;-9.34,-.38,;-8,.38,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;8,.38,;9.34,-.38,;9.34,-1.93,;10.67,.38,;10.67,1.93,;9.34,2.69,;8,1.93,;6.67,2.69,;-2.67,-2.69,;-4,-1.93,)|

BDBM264419

BDBM264421

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)|

BDBM264423

CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)|

BDBM264425

Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|

BDBM264427

Fc1ccc(Nc2cc3n([C@H]4CCNC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |r,wD:10.9,(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|

BDBM264428

CN1CC[C@@H](C1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |r,wD:4.6,(2.21,-4.86,;1.44,-3.52,;-.1,-3.52,;-.58,-2.06,;.67,-1.15,;1.91,-2.06,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;2,1.15,;3.33,.38,)|

BDBM264429

Fc1ccc(Nc2cc3n([C@@H]4CCNC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |r,wU:10.9,(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|

BDBM264430

CN1CC[C@H](C1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |r,wU:4.6,(2.21,-4.86,;1.44,-3.52,;-.1,-3.52,;-.58,-2.06,;.67,-1.15,;1.91,-2.06,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;2,1.15,;3.33,.38,)|

BDBM340118

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340080

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CC1CCCC1 |r|

BDBM340119

CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340081

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340082

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM50175583

C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5

BDBM340083

CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|

BDBM340121

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|

BDBM340122

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340123

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM340084

CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340124

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c2c(N)nccn12 |r|

BDBM340125

Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340126

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccnc(N)c12 |r|

BDBM340127

CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccs2)c2c(N)nccn12 |r|

BDBM340128

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340129

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340130

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340131

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1S(=O)(=O)C=C |r|

BDBM340132

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340133

Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r|

BDBM340134

CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12 |r|

BDBM340135

CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|

BDBM340085

CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccon2)c2c(N)nccn12 |r|

BDBM340136

CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)s1 |r|

BDBM340137

CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340138

CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|

BDBM340139

CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340140

Nc1nccn2c(CNC(=O)C=C)nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12

BDBM340141

CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340142

CC(=O)SCC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340143

CC(C)(O)C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340144

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1cc(Cl)ncn1 |r|

BDBM340145

CCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340146

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r|

BDBM340147

CCCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340148

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C

BDBM340149

CC#CC(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340150

CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM340087

CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340088

COCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340151

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340152

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)N3CCCC3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340153

CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|

BDBM340154

CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340155

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340156

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340157

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340158

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340089

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r|

BDBM340090

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(OC)ccn2)c2c(N)nccn12 |r|

BDBM340064

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r|

BDBM340065

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|

BDBM340066

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccon2)c2c(N)nccn12 |r|

BDBM340067

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ncccn2)c2c(N)nccn12 |r|

BDBM340091

Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)c2ccnc(Cl)n2)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|

BDBM340092

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|

BDBM340093

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)C)c2c(N)nccn12 |r|

BDBM340094

CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|

BDBM340095

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccs2)c2c(N)nccn12 |r|

BDBM340159

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340160

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340161

CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM340162

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340163

CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|

BDBM340164

Cc1cc(ccc1-c1nc([C@@H]2CCCCN2S(=O)(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|

BDBM340165

CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340068

Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|

BDBM340096

CN(C)C\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340097

CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|

BDBM340098

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340069

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|

BDBM340099

CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|

BDBM340070

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cccnn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340166

COC\C=C\C(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM340167

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|

BDBM340168

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN3CCCC3)n3ccnc(N)c23)c1 |r|

BDBM340169

CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340170

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|

BDBM340100

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340101

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|

BDBM340102

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c2c(N)nccn12 |r|

BDBM340103

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)c2ccnc(Cl)n2)n2ccnc(N)c12 |r|

BDBM340104

Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340071

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340072

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12 |r|

BDBM340073

CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)\C=C\COC)n4ccnc(N)c34)c(C)c2)c1 |r|

BDBM340074

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccc(C)n2)c2c(N)nccn12 |r|

BDBM340075

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340062

CC(=C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340076

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C(=C)C(F)(F)F |r|

BDBM340077

C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340078

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1CC#N |r|

BDBM340106

COC\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340107

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)N2CCCC2)c2c(N)nccn12 |r|

BDBM340108

COC\C=C\C(=O)N1CCCCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340109

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|

BDBM340110

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

BDBM340171

CC(NC(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340172

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340173

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)C)c2c(N)nccn12 |r|

BDBM340111

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(OC)c2)c2c(N)nccn12 |r|

BDBM340079

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\c1ccccc1 |r|

BDBM340112

CC(NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340113

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|

BDBM340174

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|

BDBM340176

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340177

CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340178

CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340114

CC#CC(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340115

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340116

CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340179

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340180

CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)s1 |r|

BDBM340181

CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)s1 |r|

BDBM340182

CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)s1 |r|

BDBM340117

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340183

COC\C=C\C(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340184

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340185

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340186

COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340191

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM340192

Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|

BDBM340193

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|

BDBM340194

CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340195

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)-c2ccccc2)c2c(N)nccn12 |r|

BDBM340187

Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340188

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340189

CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340196

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM357013

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

BDBM50239227

NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

BDBM372277

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CN1CCCC1 |r|

BDBM372321

Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)C1CCCN1C(=O)C=C

BDBM372283

CN(C)CC#CC(=O)N1CCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340105

CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccc(C)n2)c2c(N)nccn12 |r|

BDBM372367

C[C@H](NC(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM372308

C[C@H](NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340175

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM378885

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

BDBM387839

CN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM387840

CN(C)CCN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184769

CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184770

CN(C)CC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184772

CN(C)CCC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184766

CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1

BDBM387845

CN(C)C1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1

BDBM387846

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CN(C)C)CC2)c2ncnc(N)c12

BDBM50184767

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184776

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12

BDBM50184777

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12

BDBM50184780

COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184781

COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184778

COc1cc(ccc1NC(=O)NC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184782

CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1

BDBM50184785

CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1

BDBM50184784

CN(C)C1CCN(CCn2nc(-c3ccc(CC(O)=O)cc3)c3c(N)ncnc23)CC1

BDBM50184786

COc1cc(ccc1CC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM387854

COc1cc(ccc1Cc1ncc(C)o1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM387836

COC1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)c3c(N)ncnc23)CC1

BDBM408585

C=CC(=O)N1CC[C@H](C1)n1c2ccncc2n(-c2ccc(Oc3ccccc3)cc2)c1=O

BDBM408586

COc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1

BDBM408588

Cc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1

BDBM408589

Clc1cc(ccc1Oc1ccccc1)-n1c2cnccc2n([C@@H]2CCN(C2)C(=O)C=C)c1=O

BDBM408590

COc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@H]3CCCN(C3)C(=O)C=C)c2=O)c1Cl

BDBM408591

Cc1cccc(Oc2ccc(cc2Cl)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1

BDBM408592

CC(C)Oc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1

BDBM408593

C=CC(=O)N1CCC(CC1)n1c2ccncc2n(-c2ccc(Oc3ccccc3)cc2)c1=O

BDBM408594

Clc1ccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)cc1Cl

BDBM408595

Fc1cc(ccc1Oc1cccc(Cl)c1)-n1c2cnccc2n(-c2cccc(NC(=O)C=C)c2)c1=O

BDBM408596

Fc1c(Cl)cccc1Oc1ccc(cc1)-n1c2cnccc2n([C@@H]2CCCN(C2)C(=O)C=C)c1=O

BDBM408597

Fc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1Cl

BDBM408598

Fc1cc(F)cc(Oc2ccc(cc2)-n2c3cnccc3n(-c3cccc(NC(=O)C=C)c3)c2=O)c1

BDBM408604

COc1ccc(Oc2ccc(cc2)-n2c3cnccc3n(-c3cccc(NC(=O)C=C)c3)c2=O)cc1OC

BDBM408605

Fc1cc(ccc1Oc1ccccc1)-n1c2cnccc2n(-c2cccc(NC(=O)C=C)c2)c1=O

BDBM408606

COc1c(F)cccc1Oc1ccc(cc1)-n1c2cnccc2n([C@@H]2CCN(C2)C(=O)C=C)c1=O

BDBM444477

CCOc1cccc(Oc2ccc(cc2)C(O)c2cncc(F)c2Cl)c1F

BDBM444636

COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCNC3)c3c(OC)cncc23)c1F

BDBM50239229

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

BDBM465362

C=CC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2cnccc12

BDBM50457316

COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OC)cncc23)c1F |r|

BDBM473174

Nc1ncnc2n(C[C@@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473171

Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473175

Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473172

Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM480004

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C=C)n3ccncc23)c1F |r|

BDBM484202

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(C)c23)c1F |r|

BDBM484217

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|

BDBM484221

Fc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|

BDBM484228

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(C)c23)c1F |r|

BDBM484231

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|

BDBM484337

Fc1cccc(F)c1COc1ccc(cc1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|

BDBM484651

COC\C=C\C(=O)N1CCCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM589232

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCNC3C(=O)C#CC)n3ccnc(C)c23)c1F |r|

BDBM698784

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM50315069

CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM50013161

c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O

BDBM50013162

Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|

BDBM50013163

N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1 |r|

BDBM50013164

Cn1ccc2cccc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)c12 |r|

BDBM50013165

N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 |r|

BDBM50013166

N[C@H]1COCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|

BDBM50013167

C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|

BDBM50013168

O=c1[nH]cnc2cc(N[C@@H]3CCCNC3)nc(Nc3cccc4cc[nH]c34)c12 |r|

BDBM50013169

Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|

BDBM50013174

Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc(C)[nH]c(=O)c34)cccc12 |r|

BDBM50013170

Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 |r|

BDBM50013171

N[C@H]1CCCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1 |r|

BDBM50013172

N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|

BDBM50013173

Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12 |r|

BDBM50021626

CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1

BDBM50021618

CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|

BDBM50064828

C[C@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)c1ccc2ccccc2c1

BDBM50064837

C[C@@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)c1ccc2ccccc2c1

BDBM50064829

CC(=O)N[C@H]1C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50064843

C[C@@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)c1ccc2ccccc2c1

BDBM50064847

C[C@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)c1ccc2ccccc2c1

BDBM50064834

CC1(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50064832

CC(=O)N[C@H]1C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50064853

CC1(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM2579

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50092228

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

BDBM50308060

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50345579

CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C

BDBM50355393

CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM50358430

CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O

BDBM50111435

Cc1nccc2c3ccc(F)cc3[nH]c12

BDBM50111433

[O-][N+](=O)c1ccc(Cl)c(c1)-c1nccc2c1[nH]c1ccccc21

BDBM100152

COc1ccc2c(c1)[nH]c1c(C)nccc21

BDBM50111434

Cc1[nH]cnc1-c1[nH]ccc2c3ccccc3nc12

BDBM50114585

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|

BDBM8793

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|

BDBM50326218

O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

BDBM50326219

CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1

BDBM50386693

CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12

BDBM50391643

CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O

BDBM17060

Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1

BDBM50432373

c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO

BDBM50126732

CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|

BDBM50147458

COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|

BDBM50048357

c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N

BDBM50048362

Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50048364

OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1

BDBM50048365

c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2

BDBM50048374

CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1

BDBM50151366

C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1

BDBM50175196

CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N

BDBM4078

c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

BDBM50092080

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12

BDBM50092081

OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM50092082

OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM50092079

Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|

BDBM50193874

Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1

BDBM50097393

Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM50202739

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12

BDBM50202737

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,wD:33.36,(5.61,-23.77,;4.15,-23.29,;3.01,-24.32,;1.54,-23.84,;.4,-24.87,;.73,-26.38,;2.18,-26.85,;3.33,-25.82,;4.78,-26.3,;5.1,-27.8,;3.96,-28.84,;6.57,-28.28,;7.04,-29.76,;8.59,-29.75,;9.62,-30.9,;11.13,-30.57,;11.61,-29.11,;10.57,-27.96,;9.07,-28.28,;7.83,-27.37,;7.83,-25.83,;-1.07,-24.39,;-2.31,-25.31,;-3.56,-24.4,;-3.08,-22.94,;-3.85,-21.62,;-5.39,-21.62,;-6.16,-20.29,;-7.7,-20.3,;-8.47,-18.96,;-7.71,-17.63,;-8.47,-16.3,;-7.7,-14.97,;-6.16,-14.97,;-5.39,-13.64,;-5.4,-16.3,;-6.16,-17.63,;-3.09,-20.3,;-1.55,-20.29,;-.79,-21.62,;.75,-21.62,;-1.55,-22.94,)|

BDBM50202734

CCN(CC)C\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1

BDBM50202741

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCC(O)CC3)cnc(N)c12

BDBM50202735

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|

BDBM50209150

COCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50209158

CN1CCN(CC(=O)Nc2cccc-3c2Cc2c-3n[nH]c2-c2csc(c2)C#CCOc2ccccc2)CC1

BDBM50209156

CCOC(=O)CC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50209148

COC(=O)C(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50209144

COCCOCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50212764

CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1

BDBM50215054

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C

BDBM138348

c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F

BDBM50218682

COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C

BDBM50121690

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1

BDBM50123455

CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O

BDBM50123456

CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O

BDBM50123457

CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1

BDBM50263167

Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1

BDBM50123803

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50263132

Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12

BDBM50263514

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2ccc(CCN3CCOCC3)cn2)ncn1

BDBM50263515

Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1

BDBM50094895

Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12

BDBM50274385

CCN1CCN(CC\C=C\c2ccc3c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c(cnc3c2)C#N)CC1

BDBM50252782

C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|

BDBM26813

CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1

BDBM50274001

CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1

BDBM26812

CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1

BDBM50274340

CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1

BDBM50274709

CCN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1

BDBM50274669

CN(C(=O)C1CCCCC1)c1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1

BDBM50255367

COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255253

CN(C)Cc1cncc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255254

COc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255312

COc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255313

CCOc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255315

COc1c(CN(C)C)cccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255314

CN(C)Cc1ccc(C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50239331

N#Cc1cnc2sc(cc2c1Nc1ccc2[nH]ccc2c1)-c1ccccc1

BDBM50239328

CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50256031

CN(C)Cc1ccc(cc1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255251

CN(C)Cc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255252

CN(C)Cc1cc(cs1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM50267255

Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|

BDBM50277623

COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C

BDBM50258822

CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

BDBM50157879

[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|

BDBM50156383

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

BDBM50172492

COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1

BDBM50182493

CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21

BDBM50294451

CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1

BDBM50201641

CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1

BDBM50059889

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50301686

CN1CCN(Cc2ccc(o2)-c2cccc(C#C)c2Cc2ccc3CC=Cc3c2C)CC1 |c:27|

BDBM50206819

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3)n2)n[nH]1

BDBM50302507

CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1

BDBM50305006

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

BDBM50307507

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21

BDBM50307535

CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50307506

Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12

BDBM50307768

COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO

BDBM50311889

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)cc(c1)C(F)(F)F

BDBM50311890

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12

BDBM50311891

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12

BDBM50311892

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1

BDBM50311916

Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311917

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311918

Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311919

Cc1cccc(c1)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50311940

Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311941

Cc1ccc(NC(=O)c2ccncc2Cl)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311920

CN1CCC(CC1)Oc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50311921

Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311922

Cc1ccc(NC(=O)c2cc(n[nH]2)C2CC2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311923

Cc1ccc(NC(=O)c2cc(nn2C)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311924

CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1

BDBM50311925

CN1CCN(Cc2cc(nn2C(C)(C)C)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1

BDBM50311926

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50311927

CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50311928

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(Cl)ncn1

BDBM50311929

COc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311942

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1

BDBM50311943

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCN)ncn1

BDBM50311944

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCCN)ncn1

BDBM50311930

CCN(CC)CCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311931

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311932

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311933

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCC2COCCN2)ncn1

BDBM50311934

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCC2CCCN2)ncn1

BDBM50311935

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N[C@H]2CC[C@H](N)CC2)ncn1 |r,wU:34.37,wD:37.41,(1.36,6.17,;2.68,5.37,;4.02,6.11,;5.35,5.31,;5.31,3.77,;6.62,2.97,;7.98,3.7,;8.01,5.24,;9.29,2.9,;10.64,3.64,;11.95,2.84,;11.92,1.29,;10.56,.55,;9.25,1.36,;10.52,-.99,;9.17,-1.72,;11.83,-1.79,;10.51,-2.52,;3.96,3.03,;2.65,3.84,;1.3,3.1,;1.26,1.56,;2.49,.63,;1.98,-.83,;2.71,-2.16,;1.92,-3.47,;.38,-3.44,;-.36,-2.1,;.44,-.79,;-.01,.69,;-1.35,1.45,;-2.68,.67,;-4.02,1.44,;-5.35,.66,;-6.69,1.42,;-8.01,.65,;-9.35,1.42,;-9.36,2.96,;-10.69,3.73,;-8.02,3.73,;-6.69,2.97,;-4.03,2.99,;-2.7,3.77,;-1.35,3,)|

BDBM50311936

CN1CCC(CC1)Nc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311937

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCc2ccccn2)ncn1

BDBM50311938

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(ncn1)N1CCOCC1

BDBM50311939

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1

BDBM50311893

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1

BDBM50311894

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCO)ncn1

BDBM50311895

COCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311896

Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM50311897

CC(C)c1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM50311898

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(C)(C)C

BDBM50311899

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(OC(F)F)c1

BDBM50311900

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(Br)c1

BDBM50311901

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50311902

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(Cl)c1

BDBM50311903

COc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM50311904

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1ccccc1

BDBM50311905

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc2cnccc12

BDBM50311906

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(N)=O

BDBM50311907

Cc1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)ccn1

BDBM50311908

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1

BDBM50311909

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12

BDBM50311910

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12

BDBM50311911

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50311912

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50311913

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(NCCC#N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50311914

Cc1ccc(cc1Nc1nc2ccccc2n1-c1ncnc(N)c1C)C(=O)Nc1cccc(c1)C(F)(F)F |(22.57,6.55,;23.89,5.76,;25.23,6.5,;26.56,5.69,;26.52,4.15,;25.17,3.42,;23.86,4.22,;22.51,3.48,;22.47,1.95,;23.69,1.01,;23.19,-.44,;23.92,-1.78,;23.13,-3.09,;21.59,-3.06,;20.85,-1.71,;21.65,-.4,;21.2,1.07,;19.86,1.84,;19.86,3.38,;18.51,4.16,;17.18,3.37,;17.19,1.82,;15.86,1.05,;18.53,1.06,;18.53,-.48,;27.83,3.35,;27.8,1.81,;29.19,4.09,;30.5,3.29,;31.84,4.02,;33.16,3.23,;33.12,1.68,;31.77,.94,;30.46,1.74,;31.73,-.6,;30.38,-1.34,;33.05,-1.4,;31.72,-2.13,)|

BDBM50311915

CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50311953

CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

BDBM50311954

CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

BDBM50311985

CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|

BDBM50312153

FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1

BDBM50213358

OCc1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1

BDBM50213368

CC(=O)c1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1

BDBM50213365

Oc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N

BDBM50213357

Oc1ccc(NC(=O)c2cc3c(O)cc(O)cc3oc2=N)cc1

BDBM50213369

Oc1ccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)cc1

BDBM50213366

OCc1ccccc1NC(=O)c1cc2ccc(O)c(O)c2oc1=N

BDBM50213408

Oc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1

BDBM50213364

Oc1ccc2cc(C(=O)Nc3ccccc3O)c(=N)oc2c1O

BDBM50213415

OCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1

BDBM50213360

Oc1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1

BDBM50213361

Oc1cccc(NC(=O)c2cc3c(O)cc(O)cc3oc2=N)c1

BDBM50213409

Oc1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1O

BDBM50213370

Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1

BDBM50213359

Oc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1

BDBM50313569

CN1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1

BDBM50314344

Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO

BDBM50315652

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ncnc2sc(cc12)-c1ccncc1

BDBM50315888

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

BDBM50316253

CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1

BDBM50316252

COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1

BDBM50279080

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM50326061

OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O

BDBM50327912

O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|

BDBM11242

c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl

BDBM50341519

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

BDBM50343559

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1

BDBM50346918

Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO

BDBM50349213

CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1

BDBM50349877

CN1CCN(CC1)c1ccc(cc1)-c1cc2n(C)nc(N)c2c(=O)[nH]1

BDBM50349878

Nc1n(nc2cc([nH]c(=O)c12)-c1ccccc1)-c1ccccc1

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM32362

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM50322535

Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM5655

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

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM5931

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

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM50357313

COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCOCC1

BDBM50357314

COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCCCC1

BDBM50357315

COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C(=C)CN1CCOCC1

BDBM50357316

COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)\C=C\CN(C)C

BDBM50357317

COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1N(CC1CC1)C(=O)\C=C\CN(C)C

BDBM50357318

CCN(C(=O)\C=C\CN(C)C)c1cc2c(cc1OC)nc(Nc1ccccc1C)c1cncn21

BDBM50357319

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccccc3C)c3cncn3c2c1

BDBM50357320

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Cl)c3cncn3c2c1

BDBM50357321

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3cncn3c2c1

BDBM50357322

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(F)ccc3C)c3cncn3c2c1

BDBM50357323

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(F)cc3C)c3cncn3c2c1

BDBM50357324

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(F)c3C)c3cncn3c2c1

BDBM50357325

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM50357326

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(Cl)ccc3C)c3cncn3c2c1

BDBM50357327

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(Cl)cc3C)c3cncn3c2c1

BDBM50357328

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(Cl)c3C)c3cncn3c2c1

BDBM50357329

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3O)c3cncn3c2c1

BDBM50357330

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(O)ccc3C)c3cncn3c2c1

BDBM50357331

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(O)cc3C)c3cncn3c2c1

BDBM50357332

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(O)c3C)c3cncn3c2c1

BDBM50357333

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21

BDBM50357334

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1Cl)c1cncn21

BDBM50357335

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1cc(F)ccc1C)c1cncn21

BDBM50357336

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccc(F)cc1C)c1cncn21

BDBM50357337

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccccc1C)c1cncn21

BDBM50357338

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccccc1Cl)c1cncn21

BDBM50357339

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21

BDBM50357340

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccc(F)cc1C)c1cncn21

BDBM50357341

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn21

BDBM50357342

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1cc(F)ccc1C)c1cncn21

BDBM50357343

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1ccc(F)cc1C)c1cncn21

BDBM50357344

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Oc3ccc(F)cc3C)c3cncn3c2c1

BDBM50357345

CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Sc3ccccc3C)c3cncn3c2c1

BDBM50357346

CNc1ccc2nc(Nc3cc(F)ccc3C)c3cncn3c2c1

BDBM50357347

CNc1ccc2nc(Oc3ccc(F)cc3C)c3cncn3c2c1

BDBM50357348

CNc1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21

BDBM50357349

CNc1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn21

BDBM50359359

CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C

BDBM50363167

Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

BDBM50364832

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|

BDBM50364833

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|

BDBM50355491

Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1 |r,wU:11.11,wD:14.18,(-9.05,.18,;-7.58,.64,;-7.09,2.1,;-5.55,2.08,;-4.8,3.43,;-3.26,3.44,;-2.48,2.12,;-.94,2.14,;-.18,3.48,;-.98,4.81,;-2.52,4.79,;1.35,3.5,;2.1,4.85,;3.65,4.86,;4.44,3.53,;3.68,2.19,;2.14,2.18,;5.97,3.55,;6.75,2.22,;8.29,2.23,;9.05,3.57,;8.27,4.9,;6.73,4.89,;-5.09,.62,;-6.35,-.28,;-6.36,-1.81,;-5.04,-2.59,;-5.05,-4.13,;-6.39,-4.89,;-7.72,-4.11,;-7.71,-2.57,)|

BDBM206104

COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12

BDBM286984

CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl)OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C

BDBM50241718

Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1ccco1

BDBM50252338

CCN(CC)CCCC(C)Nc1nc(\C=C\c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12

BDBM50192071

C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O

BDBM50198782

Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl

BDBM50178611

CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50178617

CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50208746

CN(C)C1CN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:17.18|

BDBM50178614

CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1

BDBM50208747

CN(C)[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1

BDBM50208748

CN(C)C[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:19.20|

BDBM50178615

CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50178612

CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1

BDBM50224883

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

BDBM50374608

Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C

BDBM50307127

CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1

BDBM50236856

COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5

BDBM50376005

COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

BDBM50376003

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC

BDBM50376901

Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl

BDBM50293532

NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

BDBM50269557

CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50269556

CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM267959

COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM267935

COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50269558

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|

BDBM50269555

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM6866

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM7533

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

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM50269615

Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|

BDBM50270430

C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r|

BDBM50302042

CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

BDBM50302166

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1

BDBM50302165

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1

BDBM50302164

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1

BDBM50302163

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1

BDBM50308876

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1

BDBM50316492

CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12

BDBM50380762

Cn1cc(cn1)-c1cccc(c1)-c1cnc(N)c(n1)C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |r,wU:22.24,29.33,TLB:26:27:32:24.25.31,26:25:22.27.28:32,30:29:22:24.26.25,THB:21:22:24.26.25:28.29.32,21:22:32:24.25.31,31:25:22:28.29.32,31:29:22:24.26.25,(12.2,-23.88,;12.88,-25.26,;14.4,-25.53,;14.61,-27.05,;13.23,-27.73,;12.16,-26.62,;15.98,-27.77,;17.29,-26.95,;18.65,-27.67,;18.71,-29.21,;17.4,-30.03,;16.04,-29.31,;17.46,-31.57,;16.15,-32.39,;16.21,-33.92,;17.57,-34.64,;17.64,-36.18,;18.88,-33.81,;18.82,-32.28,;20.25,-34.53,;20.31,-36.07,;21.55,-33.7,;22.91,-34.41,;24.08,-33.11,;25.42,-33.57,;26.81,-33.19,;25.82,-34.49,;24.4,-33.96,;24.36,-32.37,;25.38,-31.12,;25.36,-29.57,;26.78,-31.66,;24.04,-31.62,)|

BDBM50384721

FC(F)(F)c1cccc(NC(=O)Nc2cccc(Nc3ccc4\C(=C\c5ccc[nH]5)C(=O)Nc4c3)c2)c1

BDBM50384720

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1

BDBM50384725

Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM50384734

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM50384726

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM50384727

Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

BDBM50385915

C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|

BDBM50387330

CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|

BDBM50396071

CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50402020

CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O

BDBM50279293

COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C

BDBM50279288

COc1cc2ncc(C(=O)Oc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C

BDBM50279304

COc1cc2ncc(-c3cccc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C

BDBM50289148

COc1cc(NC(=O)Nc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2Oc2ccc(C)cc2OC)cc(OC)c1

BDBM50419247

Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N

BDBM50425385

Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1

BDBM50425387

Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1

BDBM50425386

Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1

BDBM50427363

CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50431812

[O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12 |w:14.15|

BDBM1774

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C

BDBM50161162

COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1

BDBM50452149

CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

BDBM50462709

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50463484

CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM50466038

CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12

BDBM50413999

COc1cccc(c1)-c1cn(-c2ccc(CCN3CCC(O)CC3)cc2)c2ncnc(N)c12

BDBM50499634

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

BDBM106870

C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|

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|

BDBM50505817

CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C

BDBM50511997

Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM50089575

Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12

BDBM50515526

Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(CO)cc3)c12

BDBM50303801

O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1

BDBM50519662

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

BDBM50524300

COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1

BDBM50524298

CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1

BDBM50529754

CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12

BDBM50529756

COc1ccccc1\C=C\c1nc2ccccc2c(=O)[nH]1

BDBM50529758

Oc1cccc(Nc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)nc3ccccc23)c1

BDBM50529757

Oc1cccc(Nc2nc(\C=C\c3cc4OCOc4cc3Br)nc3ccccc23)c1

BDBM50529755

COc1ccccc1\C=C\c1nc(Nc2ccc3OCOc3c2)c2ccccc2n1

BDBM50532181

COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O

BDBM50194715

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O

BDBM50537742

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

BDBM50538507

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12

BDBM50538508

COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1

BDBM50538509

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12

BDBM50540741

OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM50354486

ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1

BDBM50542209

Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CC2)C(=O)CCCc2cn(CCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)c(c1)C(F)(F)F

BDBM50543578

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)-n3c(C)ccc3CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

BDBM50545405

Cc1cccc(Oc2cnc(O)nc2)c1

BDBM50235350

C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12

BDBM267790

C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50558112

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM267703

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50558812

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

BDBM50560327

[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM255256

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

BDBM255303

CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM255338

COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|

BDBM255370

Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

BDBM50563891

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1

BDBM50575343

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)|

BDBM50097956

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1

BDBM50575344

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|

BDBM50506460

Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1ccc(Cl)cc1Cl

BDBM50577406

Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50582559

CN1CCN(CC1)[C@H]1CC(F)(F)c2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)ccc12 |r|

BDBM50239780

COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1

BDBM50610909

CC#CC(=O)N1CC[C@@H](C1)N1CN(c2c1ncnc2N)c1ccc(Oc2ccccc2)cc1 |r|

BDBM50611364

C[C@@H]1[C@@H](COS(=O)(=O)C=C)O[C@H]([C@@H]1OCC#C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12 |r|

BDBM50611365

C[C@@H]1[C@@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)O[C@H]([C@@H]1OCC#C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12 |r|

BDBM610463

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM50622900

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(N)=O)c(OC)c1

BDBM50622901

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)OC)c(OC)c1

BDBM50622902

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(CO)c(OC)c1

BDBM50622903

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(O)=O)c(OC)c1

BDBM50622904

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC)c(OC)c1

BDBM50622905

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC)c1

BDBM50621266

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c1

BDBM50622906

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC2CC2)c(OC)c1

BDBM50622909

CCNC(=O)c1c(OC)cc(cc1OC(F)F)-n1cnc2cc(ccc12)-c1cnn(CC)c1

BDBM50622910

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(C)c1

BDBM50621265

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCO)c1

BDBM50622911

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC(N)=O)c1

BDBM50622912

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC#N)c1

BDBM50622913

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCOC)c1

BDBM50622914

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(c1)C1CCOCC1

BDBM50621264

COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-n1cnc2cc(ccc12)-c1cnn(C)c1

BDBM50637900

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CO)n(C)n3)n2)c1

BDBM50637901

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](C)CO)n(C)n3)n2)c1

BDBM50637902

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCO)n(C)n3)n2)c1

BDBM50637903

CC[C@@H](CO)NC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C

BDBM50637904

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](CO)C(C)C)n(C)n3)n2)c1

BDBM50637905

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](CO)C4CCCCC4)n(C)n3)n2)c1

BDBM50637906

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCN)n(C)n3)n2)c1

BDBM50637907

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCC(F)(F)F)n(C)n3)n2)c1

BDBM50637908

CNCCNC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C

BDBM50637909

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCN(C)C)n(C)n3)n2)c1

BDBM50637910

CCN(CC)CCNC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C

BDBM50637911

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCN4CCCC4)n(C)n3)n2)c1

BDBM50637912

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCN4CCCCC4)n(C)n3)n2)c1

BDBM50637913

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCCN(C)C)n(C)n3)n2)c1

BDBM50637914

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCc4ccccn4)n(C)n3)n2)c1

BDBM50637915

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCc4ncc[nH]4)n(C)n3)n2)c1

BDBM50637916

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCCC4)n(C)n3)n2)c1

BDBM50637917

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](CN4CCCC4)C(C)C)n(C)n3)n2)c1

BDBM50637918

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)c1

BDBM50637919

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](CN4CCC4)C(C)C)n(C)n3)n2)c1

BDBM50637920

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CC(F)(F)C4)n(C)n3)n2)c1

BDBM50637921

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H]4CCCC[C@H]4N)n(C)n3)n2)c1

BDBM50637922

Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H]4CCCNC4)n(C)n3)n2)c1

BDBM720656

C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O

BDBM720664

C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O

BDBM50643658

Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(-n4ccnc4C)cc(C(F)(F)F)c3)ccc2C)no1

BDBM50643674

Cc1cc(C(=O)Nc2cc(C(=O)Nc3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)no1

BDBM50646817

CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1

BDBM50647988

Cc1ccc(O)c(C)c1-c1cc(-c2cc(F)nc(N3CC[C@@H](N)C3)c2)cc(C(N)=O)c1N

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

BDBM174948

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

BDBM50204589

C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1

BDBM130909

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50337134

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

BDBM50315887

C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

BDBM185674

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1

BDBM50391802

c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O

BDBM103727

O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

BDBM50515041

CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C