SMILES for LIM domain kinase 1

CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)|

BDBM50124355

CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl

BDBM50124352

CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl

BDBM50591091

CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50611805

CC(C)C(=O)c1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl

BDBM50124397

CC(C)CNc1ncc(s1)-c1ccncc1-c1ccccc1Cl

BDBM50611807

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(c(F)c2)-c2ncnc3[nH]cc(C)c23)c1

BDBM50072676

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc(N)n2)c1

BDBM50072677

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]ccc23)c1

BDBM50364653

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccncc2)c1

BDBM50072675

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1

BDBM50072616

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]c(C)c(C)c23)c1

BDBM50072615

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]c(C)cc23)c1

BDBM50364649

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1

BDBM50364647

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]ccc23)c1

BDBM50072678

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cnc23)c1

BDBM50072619

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2C(F)(F)F)-c2ncnc3[nH]cc(C)c23)c1

BDBM50072662

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1

BDBM50072663

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2OCCN(C)C)-c2ncnc3[nH]cc(C)c23)c1

BDBM50327391

CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl

BDBM50327390

CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl

BDBM50117634

CC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50599845

CC(C)n1cc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cn1

BDBM36409

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

BDBM50354384

CC1(C)CCc2c(C1)sc1ncnc(N)c21

BDBM50354376

CC1(C)CCc2sc3ncnc(N)c3c12

BDBM24773

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

BDBM50354386

CC1(C)Cc2c(CO1)sc1ncnc(N)c21

BDBM622473

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]c6CCCc6c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|

BDBM622476

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]cc(C)c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|

BDBM622474

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]cc(C6CC6)c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|

BDBM622408

CC1C=C(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |c:2|

BDBM622407

CC1C=C(CCN1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |c:2|

BDBM622406

CC1C=C(CCN1C(=O)Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12 |c:2|

BDBM622411

CC1CC(=CC(C)N1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM622410

CC1CC(=CC(C)N1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM622409

CC1CC(=CC(C)N1C(=O)Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM622414

CC1CC(=CC(C)N1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM622412

CC1CC(=CC(C)N1C(=O)Nc1cccc(Oc2ccccc2)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM50354377

CC1CCCc2sc3ncnc(N)c3c12

BDBM50354375

CC1CCc2c(C1)sc1ncnc(N)c21

BDBM50117633

CCC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50390788

CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)C(C)C)s1

BDBM50390789

CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1

BDBM50390786

CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)OC)s1

BDBM50390787

CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1

BDBM50390776

CCCCCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NCCC)s1

BDBM50591082

CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50124365

CCCN(C)c1ncc(s1)-c1ccncc1-c1ccccc1Cl

BDBM50591084

CCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(Cl)c1

BDBM50591083

CCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50390782

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC(CC)CC)cc1Cl

BDBM50390779

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl

BDBM50390781

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC2CCCC2)cc1Cl

BDBM50390780

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OCCC)cc1Cl

BDBM50390783

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl

BDBM50390784

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC)ccc1Cl

BDBM50390785

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl

BDBM50390774

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(O)cc1Cl

BDBM50390796

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1C

BDBM50390777

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl

BDBM50390775

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC)cc1Cl

BDBM50390778

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC2CCCC2)cc1Cl

BDBM50124403

CCCNc1ncc(s1)-c1cccnc1-c1ccccc1Cl

BDBM50124402

CCCNc1ncc(s1)-c1ccncc1

BDBM50124358

CCCNc1ncc(s1)-c1ccncc1-c1ccc(Cl)cc1

BDBM50124363

CCCNc1ncc(s1)-c1ccncc1-c1ccc(OC)cc1C(F)(F)F

BDBM50124357

CCCNc1ncc(s1)-c1ccncc1-c1cccc(Cl)c1

BDBM50124359

CCCNc1ncc(s1)-c1ccncc1-c1ccccc1

BDBM50124360

CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C

BDBM50124361

CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C(C)C

BDBM50124362

CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C(F)(F)F

BDBM50124356

CCCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl

BDBM50124404

CCCNc1ncc(s1)-c1cnccc1-c1ccccc1Cl

BDBM50117635

CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM25617

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

BDBM4814

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

BDBM26300

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1

BDBM50043510

CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM50390791

CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C

BDBM50124396

CCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl

BDBM50354380

CCOC(=O)C1CCc2c(C1)sc1ncnc(N)c21

BDBM31090

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

BDBM50161957

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

BDBM50390772

CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccc1F)-c1cnc(NC(C)C)s1

BDBM50390771

CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccn1)-c1cnc(NC(C)C)s1

BDBM50390773

CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)C)s1

BDBM7533

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

BDBM25121

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

BDBM50466806

CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1

BDBM622452

CCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:13|

BDBM622391

CCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:13|

BDBM25013

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

BDBM50364652

CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1

BDBM50112355

CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O

BDBM622454

CN(C)C(=O)Nc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|

BDBM50611810

CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1

BDBM50611811

CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]c4CCCCc4c23)c1

BDBM50044004

CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM622432

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:17|

BDBM622445

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|

BDBM622393

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:17|

BDBM622419

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:17|

BDBM622493

CN(C)C(=O)Oc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:23|

BDBM50244953

CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1

BDBM622457

CN(C)C(=O)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:16|

BDBM50355499

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

BDBM50117500

CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1

BDBM50117370

CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1

BDBM50117632

CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C

BDBM50044005

CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1

BDBM50072728

CN(C)CCN(C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12)c1ccc(Cl)cc1

BDBM50072671

CN(C)CCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1

BDBM17055

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

BDBM50322823

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

BDBM622455

CN(C)Cc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|

BDBM622405

CN(C)c1ccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)cc1 |c:19|

BDBM50519662

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

BDBM622478

CN(C)c1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:20|

BDBM50354371

CN(C)c1ncnc2sc3CCCCc3c12

BDBM50043623

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(C)c1

BDBM50043416

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM26474

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

BDBM622483

CN1CCC(COc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:18|

BDBM13534

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

BDBM25118

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

BDBM622480

CN1CCN(CCCOc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:20|

BDBM622479

CN1CCN(CCOc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:19|

BDBM50355495

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM5655

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

BDBM622469

CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(Br)c4)c3c2C1 |t:11|

BDBM622468

CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(Cl)c4)c3c2C1 |t:11|

BDBM622467

CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(F)c4)c3c2C1 |t:11|

BDBM50591314

CN1c2ccc(Cl)cc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)C1=O |r|

BDBM50390790

CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C

BDBM50390794

CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl

BDBM27817

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

BDBM622484

CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)cc2)ccn1 |c:18|

BDBM16673

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

BDBM622485

CNC(=O)c1cc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)ccn1 |c:19|

BDBM622456

CNC(=O)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|

BDBM622495

CNC(=O)c1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:21|

BDBM25117

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

BDBM2579

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

BDBM31096

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

BDBM50354368

CNc1ncnc2sc3CCCCc3c12

BDBM50117301

COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50117300

COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50390793

COC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C

BDBM50117299

COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1

BDBM50026612

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

BDBM50117302

COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1

BDBM50117629

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1

BDBM50117628

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3NC(=O)Cc23)c1

BDBM50117501

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1

BDBM50117502

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)cc23)c1

BDBM50117504

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1

BDBM50117315

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50117503

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1

BDBM50117631

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1

BDBM50117630

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1

BDBM50117489

COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50117625

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1

BDBM50117581

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1

BDBM50117598

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1

BDBM50117505

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(NC(C)=O)n2)c1

BDBM50117626

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccncn2)c1

BDBM50117303

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50117627

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1

BDBM31340

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

BDBM50611817

COCCN(C(=O)Nc1ccc(c(F)c1)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1

BDBM50072672

COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

BDBM622458

COCOCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:16|

BDBM50326053

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

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|

BDBM50366492

COc1c(C=O)c(O)cc2C(=O)c3ccccc3C(=O)c12

BDBM50309910

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

BDBM50390792

COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1

BDBM50390795

COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1

BDBM4552

COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

BDBM60665

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

BDBM50355494

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

BDBM50611816

COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn(C2CCC(CC2)N2CCN(C)CC2)c2ncnc(N)c12 |(-2.79,-4.99,;-3.56,-3.65,;-2.79,-2.32,;-1.25,-2.32,;-.48,-.99,;-1.25,.35,;-2.79,.34,;-3.55,-.99,;-5.09,-.99,;-5.87,-2.32,;-5.1,-3.65,;-7.41,-2.32,;-8.18,-3.65,;-9.72,-3.65,;-10.49,-4.98,;-12.02,-4.98,;-12.79,-3.64,;-12.03,-2.31,;-10.49,-2.31,;1.06,-.99,;2.01,.17,;3.45,-.4,;4.79,.37,;4.79,1.91,;6.13,2.68,;7.46,1.91,;7.46,.37,;6.12,-.4,;8.79,2.68,;8.79,4.22,;10.13,4.99,;11.46,4.22,;12.79,4.99,;11.46,2.68,;10.13,1.91,;3.39,-1.93,;4.47,-3.01,;4.08,-4.5,;2.59,-4.9,;1.5,-3.81,;.01,-4.2,;1.9,-2.32,)|

BDBM482158

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

BDBM21

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

BDBM50355504

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

BDBM50331096

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

BDBM13535

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

BDBM5447

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

BDBM50124353

COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F

BDBM50611806

COc1ccc(-c2cnccc2-c2cnc(s2)C(=O)C(C)C)c(c1)C(F)(F)F

BDBM50331612

COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1

BDBM32362

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

BDBM12621

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

BDBM50072726

COc1ccc(NC(=O)N(C)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1

BDBM50072673

COc1ccc(NC(=O)N(CCN2CCCC2)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1

BDBM50072674

COc1ccc(NC(=O)N(CCN2CCCCC2)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1

BDBM50072723

COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1

BDBM50130039

COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1

BDBM50354370

COc1ccc(Nc2ncnc3sc4CCCCc4c23)cc1

BDBM622431

COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:20|

BDBM622459

COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|

BDBM622399

COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|

BDBM622422

COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|

BDBM50072729

COc1ccc(cc1)N(CCN(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12

BDBM50072731

COc1ccc(cc1)N(CCN)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12

BDBM50072669

COc1ccc(cc1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12

BDBM50354378

COc1ccc(cc1OC)-c1sc2ncnc(N)c2c1C

BDBM622429

COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:13|

BDBM622444

COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:13|

BDBM622380

COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:13|

BDBM50072703

COc1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1

BDBM622396

COc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:19|

BDBM622425

COc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C5CC5)c34)c2)c1 |c:19|

BDBM622460

COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|

BDBM622398

COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|

BDBM622421

COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|

BDBM50072732

COc1cccc(c1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12

BDBM622397

COc1ccccc1-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|

BDBM622420

COc1ccccc1-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|

BDBM50072738

COc1ccccc1N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12

BDBM50072681

COc1ccccc1NC(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12

BDBM50513866

COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F

BDBM50440018

CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|

BDBM5445

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

BDBM25028

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

BDBM13336

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

BDBM6568

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

BDBM50354367

CSc1nc(N)c2c3CCCCCc3sc2n1

BDBM50354361

CSc1nc(N)c2c3CCCCc3sc2n1

BDBM50354363

CSc1nc(N)c2c3CCCc3sc2n1

BDBM50124399

C[C@@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r|

BDBM50330225

C[C@@H](Nc1ncnc2sc3CCCCc3c12)c1ccccc1 |r|

BDBM50184807

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

BDBM50306682

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

BDBM50355500

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

BDBM50193995

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

BDBM50343725

C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 |r|

BDBM50446982

C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|

BDBM50124398

C[C@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r|

BDBM50299585

C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299586

C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299584

C[C@H]1CN(CCN1C(NC#N)=Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299583

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50308060

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

BDBM31095

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

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|

BDBM50072727

Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)c(F)c3)c2c1C

BDBM50072670

Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)c(F)c3)c2c1C

BDBM622427

Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Br)c3)c2c1C |$;;;;;;;;;;;;;;;;N;;;;;;;;;;$,t:8|

BDBM622430

Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccccc3)c2c1C |t:8|

BDBM622428

Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccccc3)c2c1C |t:8|

BDBM50429867

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

BDBM50354389

Cc1c(sc2ncnc(N)c12)-c1ccccc1

BDBM50591101

Cc1c2[nH]c3ccc(OC(=O)c4ccccc4)cc3c2c(C)c2c1cc[nH]c2=O

BDBM50072730

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)cc3)c12

BDBM50072832

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCN4CCCC4)c4ccccc4)cc3)c12

BDBM50072668

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12

BDBM50072667

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12

BDBM50072829

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12

BDBM50072796

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(C)c4)cc3)c12

BDBM50072666

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12

BDBM50072830

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(F)c4)cc3)c12

BDBM50130035

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)c(F)c3)c12

BDBM50072664

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12

BDBM50072797

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4C)cc3)c12

BDBM50072665

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12

BDBM50072831

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4F)cc3)c12

BDBM50130038

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccc(C)nc4)c(F)c3)c12

BDBM50072680

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

BDBM50072679

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12

BDBM50072725

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12

BDBM50130037

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12

BDBM50130036

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c12

BDBM50072724

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4nccs4)cc3)c12

BDBM622402

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)N[C@@H]3CCCc4ccccc34)c12 |r,t:9|

BDBM622383

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c12 |t:9|

BDBM622387

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c12 |t:9|

BDBM622385

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc4OCOc4c3)c12 |t:9|

BDBM622384

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc4ccccc4c3)c12 |t:9|

BDBM622379

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Br)c3)c12 |t:9|

BDBM622378

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Cl)c3)c12 |t:9|

BDBM622377

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(F)c3)c12 |t:9|

BDBM622392

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OC(F)(F)F)c3)c12 |t:9|

BDBM622482

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OCC4CCC(F)(F)CC4)c3)c12 |t:9|

BDBM622481

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OCCCNC(=O)OC(C)(C)C)c3)c12 |t:9|

BDBM622489

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccc(Br)cc4Cl)c3)c12 |t:9|

BDBM622487

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccc(F)cc4)c3)c12 |t:9|

BDBM622488

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(Cl)c4)c3)c12 |t:9|

BDBM622486

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(F)c4)c3)c12 |t:9|

BDBM622492

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(O)c4)c3)c12 |t:9|

BDBM622491

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(OCc5ccccc5)c4)c3)c12 |t:9|

BDBM622386

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccccc4)c3)c12 |t:9|

BDBM622490

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccnc4)c3)c12 |t:9|

BDBM622475

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3cccc(OCCCNC(=O)OC(C)(C)C)c3)c12 |t:9|

BDBM622470

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3cccc(OCCCNS(C)(=O)=O)c3)c12 |t:9|

BDBM622388

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccccc3)c12 |t:9|

BDBM622389

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccncc3)c12 |t:9|

BDBM622390

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3cccc3)c12 |t:9|

BDBM622394

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3ccnc3)c12 |t:9|

BDBM622395

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3cncn3)c12 |t:9|

BDBM622381

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C#N)c12 |t:9|

BDBM622477

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C(=O)N3CCN(CC3)S(C)(=O)=O)c12 |t:9|

BDBM622382

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C(F)(F)F)c12 |t:9|

BDBM622376

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccccc3)c12 |t:9|

BDBM622400

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccnc3)c12 |t:9|

BDBM622401

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccs3)c12 |t:9|

BDBM50591313

Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1

BDBM50591312

Cc1cc(on1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50097393

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

BDBM21079

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

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,)|

BDBM50611804

Cc1ccc(c(Cl)c1)-c1cnccc1-c1cnc(Nc2ccc(O)cc2)s1

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM50237710

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

BDBM50332294

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM15138

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

BDBM50591099

Cc1nc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(cc3)S(=O)(=O)Nc3ccccc3)nn2)cs1

BDBM50354360

Cc1nc(N)c2c3CCCCc3sc2n1

BDBM13216

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

BDBM78872

Cc1sc2ncnc(N)c2c1C

BDBM50224883

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

BDBM50591097

Clc1ccc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(cc3)S(=O)(=O)Nc3ccccc3)nn2)cc1Cl

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM24654

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

BDBM622440

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCCc4c23)c1 |c:12|

BDBM622437

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|

BDBM622434

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|

BDBM622465

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCOCc4c23)c1 |c:12|

BDBM622462

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCSCc4c23)c1 |c:12|

BDBM622416

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:12|

BDBM50591086

Clc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(CC#C)Cc2ccccc2)c1

BDBM50591085

Clc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(CCC#N)Cc2ccccc2)c1

BDBM50124400

Clc1ccccc1-c1cnccc1-c1cnc(Nc2ccccc2)s1

BDBM50591095

Clc1ccccc1Cn1cc(CN(Cc2ccccc2)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)nn1

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM50354395

Cn1c2cc(ccc2c2ncnc(N)c12)-c1ccccc1

BDBM50354393

Cn1c2ccccc2c2ncnc(N)c12

BDBM50135286

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

BDBM50128285

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

BDBM50514649

Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r|

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50355497

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

BDBM622451

FC(F)(F)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|

BDBM50591311

FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)|

BDBM50132260

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

BDBM50433630

Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F

BDBM4779

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

BDBM15244

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

BDBM622439

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCCc4c23)c1 |c:12|

BDBM622436

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|

BDBM622433

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|

BDBM622464

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCOCc4c23)c1 |c:12|

BDBM622461

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCSCc4c23)c1 |c:12|

BDBM622415

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:12|

BDBM50355501

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM50354381

NC(=O)C1CCc2c(C1)sc1ncnc(N)c21

BDBM50110208

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

BDBM50186634

NC(=O)c1sc2ccccc2c1N

BDBM50186625

NC(=O)c1sc2ncccc2c1N

BDBM50354369

NCCNc1ncnc2sc3CCCCc3c12

BDBM50305006

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

BDBM50354362

Nc1nc(=S)[nH]c2sc3CCCCCc3c12

BDBM50354364

Nc1nc(=S)[nH]c2sc3CCCCc3c12

BDBM25084

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

BDBM50124401

Nc1nc(NCC=C)sc1C(=O)c1ccc2OCOc2c1

BDBM50243389

Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O

BDBM6866

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

BDBM50354365

Nc1nc(SCC(O)=O)nc2sc3CCCCc3c12

BDBM49587

Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1

BDBM50354366

Nc1nc(nc2sc3CCCCc3c12)-c1cccs1

BDBM50124364

Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl

BDBM50354394

Nc1ncnc2c3ccc(cc3sc12)-c1ccccc1

BDBM50354392

Nc1ncnc2c3ccccc3sc12

BDBM27439

Nc1ncnc2c3cccnc3sc12

BDBM50354387

Nc1ncnc2sc-3c(CCc4ccccc-34)c12

BDBM50354379

Nc1ncnc2sc3-c4ccccc4Cc3c12

BDBM50354374

Nc1ncnc2sc3C4CC(C4)Cc3c12 |(-.84,-.64,;-.79,.89,;.56,1.62,;.6,3.17,;-.71,3.97,;-2.05,3.24,;-3.5,3.76,;-4.44,2.55,;-5.97,2.44,;-6.65,1.06,;-5.79,-.22,;-4.89,1.37,;-4.25,-.12,;-3.58,1.27,;-2.1,1.7,)|

BDBM50354382

Nc1ncnc2sc3CC(CCc3c12)C(=O)N1CCOCC1

BDBM50354391

Nc1ncnc2sc3CC(CCc3c12)C(=O)NCc1ccccc1

BDBM50354390

Nc1ncnc2sc3CC(CCc3c12)C(O)=O

BDBM50354388

Nc1ncnc2sc3CC(CCc3c12)c1ccccc1

BDBM50354359

Nc1ncnc2sc3CCCCCc3c12

BDBM50354357

Nc1ncnc2sc3CCCCc3c12

BDBM50354358

Nc1ncnc2sc3CCCc3c12

BDBM50354383

Nc1ncnc2sc3CN(Cc4ccccc4)CCc3c12

BDBM50354385

Nc1ncnc2sc3COCCc3c12

BDBM50591088

O=C(N(CC#C)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591089

O=C(N(CCC#C)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043501

O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591087

O=C(N(CCc1ccccc1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591094

O=C(N(CCc1cn(Cc2ccccc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591100

O=C(N(Cc1cn(CC2CNC(=O)O2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591093

O=C(N(Cc1cn(Cc2ccccc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591096

O=C(N(Cc1cn(Cc2ccncc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591098

O=C(N(Cc1cn(Cc2cn3cccnc3n2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50355496

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

BDBM622426

O=C(NC1CCCCC1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:13|

BDBM50591092

O=C(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)NCc1ccccc1

BDBM50433629

O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1

BDBM622418

O=C(Nc1cccc(Cc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:21|

BDBM622449

O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]c3CCCCc3c12 |c:21|

BDBM622448

O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:21|

BDBM622423

O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:21|

BDBM622446

O=C(Nc1cccc(c1)-c1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|

BDBM622447

O=C(Nc1cccc(c1)-c1ccncc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|

BDBM622424

O=C(Nc1cccc(c1)-n1cccc1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:19|

BDBM622450

O=C(Nc1cccc(c1)C#N)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:15|

BDBM622453

O=C(Nc1cccc(c1)N1CCOCC1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|

BDBM622443

O=C(Nc1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCCc3c12 |c:13|

BDBM622442

O=C(Nc1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:13|

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM50330226

OCCNc1ncnc2sc3CCCCc3c12

BDBM25628

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

BDBM50124354

Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1

BDBM13531

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

BDBM199250

Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

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|