SMILES for Cyclin-dependent kinase 5

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(3.45,2.95,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-2.35,-5.41,;-3.68,-6.19,;-3.67,-7.73,;-2.33,-8.49,;-1,-7.71,;-1.01,-6.17,;-2.32,-10.03,;-3.65,-10.81,;-3.64,-12.35,;-2.3,-13.11,;-.97,-12.33,;-.98,-10.79,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-7.7,-.82,;-8.76,-1.45,;-7.71,.72,;-6.39,1.5,;-1.03,1.55,;.3,.77,)|

BDBM50154926

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO

BDBM50154919

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1

BDBM50154922

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCNCC1

BDBM50154928

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCOCC1

BDBM50154927

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCSCC1

BDBM50154934

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)S(C)(=O)=O

BDBM50154936

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)ncnc12

BDBM59227

CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)|

BDBM444560

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

BDBM444543

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

BDBM494018

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

BDBM494029

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCS(C)(=O)=NC#N)CCc3n2)ncc1F

BDBM494032

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|

BDBM494033

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|

BDBM7504

CC(C)n1cnc2c(Cl)nc(I)nc12

BDBM7526

CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r|

BDBM7507

CC(C)n1cnc2c(NCc3ccccc3)nc(I)nc12

BDBM7517

CC(C)n1cnc2c(NCc3ccccc3)nc(NCC(O)c3ccccc3)nc12

BDBM7522

CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc12 |r|

BDBM7520

CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12 |r|

BDBM7521

CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|

BDBM7519

CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12 |r|

BDBM7516

CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1

BDBM7527

CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1

BDBM7515

CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|

BDBM7514

CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|

BDBM7506

CC(C)n1cnc2c(nc(I)nc12)N(C)CC=C

BDBM7512

CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C

BDBM7513

CC(C)n1cnc2c(nc(NCCO)nc12)N1CCC=CC1 |c:21|

BDBM50186073

CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C

BDBM50247431

CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1

BDBM50247418

CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1

BDBM36409

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

BDBM444567

CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F

BDBM444565

CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F

BDBM50401965

CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|

BDBM50154932

CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1

BDBM556326

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)CO)cn2)ncc1F

BDBM556337

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCN(CCO)CC3)cn2)ncc1F

BDBM556334

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OCC3CCN(CCCO)CC3)cn2)ncc1F

BDBM448926

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F

BDBM50276515

CC1(C)CNC(=O)c2cc3-c4ccc(Br)cc4CCn3c2C1

BDBM50276464

CC1(C)CNC(=O)c2cc3-c4ccc(F)cc4CCn3c2C1

BDBM50276517

CC1(C)CNC(=O)c2cc3-c4ccc(cc4CCn3c2C1)[N+]([O-])=O

BDBM24773

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

BDBM50021613

CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24|

BDBM50378827

CC12CC(C)(C)NC(=S)N1c1ccc(cc1N2)-c1ccc2N3C(=S)NC(C)(C)CC3(C)Nc2c1

BDBM610463

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

BDBM50379081

CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|

BDBM7575

CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1

BDBM7576

CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1

BDBM7578

CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1

BDBM7573

CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1

BDBM7579

CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1

BDBM7577

CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1

BDBM7555

CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

BDBM7583

CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1

BDBM7581

CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1

BDBM7584

CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

BDBM7580

CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1

BDBM50593922

CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|

BDBM444564

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

BDBM444563

CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F

BDBM50154930

CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1

BDBM7523

CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

BDBM7518

CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

BDBM50155215

CCCCCc1cnc(NC(=O)Cc2ccccc2)s1

BDBM50093389

CCCCNc1nc(nc2n(cnc12)C(C)C)C#CC(C)(O)Cc1ccccc1

BDBM50295355

CCCCc1c(-c2ccc(O)c(c2)-c2cn(CCOCCOCCN)nn2)n(C)c2nccnc12

BDBM50295351

CCCCc1c(-c2ccc(O)cc2)n(C)c2nccnc12

BDBM50295353

CCCCc1c(-c2ccc(OCCOCCOCCN)cc2)n(C)c2nccnc12

BDBM50295354

CCCCc1c([nH]c2nccnc12)-c1ccc(O)c(c1)-c1cn(CCOCCOCCN)nn1

BDBM7377

CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1

BDBM50295352

CCCCc1c([nH]c2nccnc12)-c1ccc(OCCOCCOCCN)cc1

BDBM25617

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

BDBM50404389

CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1 |r|

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

BDBM50489127

CCN(Cc1cn2ccccc2n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1

BDBM448950

CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM556330

CCN1CCC(COc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1

BDBM556329

CCN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1

BDBM448940

CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM31085

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

BDBM124970

CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1

BDBM50110183

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

BDBM50455050

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1

BDBM556338

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nn5CCCc5c4c3)nc2)CC1

BDBM50377290

CCNC(=O)O[C@@H](C)[C@H]1c2ccccc2-c2c1c1[nH]c3ccccc3c1c1CNC(=O)c21

BDBM50378824

CCNc1cc(N[C@@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,7.6,(34.48,6.65,;34.48,5.11,;33.15,4.34,;33.15,2.8,;34.49,2.03,;34.49,.48,;35.82,-.28,;35.83,-1.82,;34.49,-2.59,;34.49,-4.12,;35.81,-4.9,;35.81,-6.44,;37.15,-4.13,;37.15,-2.59,;33.16,-.28,;31.82,.48,;30.48,-.28,;29.15,.49,;27.83,-.28,;26.49,.48,;26.49,2.03,;25.36,3.06,;23.82,3.07,;23.05,4.4,;23.83,5.74,;23.06,7.07,;21.52,7.07,;20.75,5.74,;21.52,4.41,;25.99,4.47,;27.52,4.3,;27.83,2.79,;29.16,2.03,;31.82,2.03,)|

BDBM50247395

CCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1

BDBM50299869

CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C

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

BDBM7582

CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1

BDBM50097858

CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O

BDBM50056163

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

BDBM50154937

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

BDBM7533

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

BDBM50244787

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

BDBM50553481

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

BDBM50358213

CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|

BDBM106950

CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|

BDBM25121

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

BDBM50299083

CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|

BDBM50155226

CCc1cnc(NC(=O)Cc2ccccc2)s1

BDBM50600030

CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)C1CCCC[C@H]1CCO |r|

BDBM50612866

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

BDBM50139171

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

BDBM25013

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

BDBM50247419

CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1

BDBM50247394

CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCCc1ccccc1

BDBM50247393

CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1

BDBM50355499

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

BDBM444573

CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444550

CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444571

CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444532

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444578

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1

BDBM444549

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444569

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1

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|

BDBM50526794

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

BDBM556327

CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r|

BDBM556328

CN(C)[C@H]1CCN(C1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM50155218

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

BDBM7505

CN(CC=C)c1nc(I)nc2n(C)cnc12

BDBM7511

CN(CC=C)c1nc(NCCO)nc2n(C)cnc12

BDBM444609

CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM26474

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

BDBM50426338

CN1C(=O)C(c2cccc(Br)c12)c1[nH]c2ccc(cc2c1N=O)C(O)=O

BDBM556336

CN1CCC(CC1)OCc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM556331

CN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM556335

CN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1

BDBM31099

CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM444555

CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|

BDBM444595

CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|

BDBM13534

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

BDBM50374608

CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc1 |(-5.07,-9.29,;-3.87,-8.32,;-4.12,-6.8,;-2.92,-5.83,;-1.48,-6.38,;-1.24,-7.9,;-2.43,-8.87,;-.29,-5.41,;1.15,-5.96,;2.35,-4.99,;2.11,-3.47,;3.3,-2.5,;3.06,-.98,;4.25,-.01,;4.01,1.51,;2.57,2.06,;1.38,1.09,;1.62,-.43,;-.06,1.64,;-.3,3.16,;-1.82,3.4,;-2.52,2.03,;-4.01,1.63,;-4.41,.14,;-3.32,-.95,;-1.83,-.55,;-1.43,.94,;.89,4.13,;.65,5.65,;-.79,6.2,;-1.98,5.23,;-1.03,7.72,;.17,8.7,;1.6,8.15,;1.85,6.62,;3.28,6.07,;2.33,3.58,;3.53,4.55,;.67,-2.92,;-.53,-3.89,)|

BDBM25118

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

BDBM444607

CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1

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

BDBM50186375

CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1

BDBM444574

CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|

BDBM444575

CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|

BDBM5655

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

BDBM50193104

CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|

BDBM50363196

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

BDBM27817

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

BDBM16673

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

BDBM25117

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

BDBM444605

CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444613

CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444621

CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1

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

BDBM50194671

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F

BDBM50326198

CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C

BDBM50326206

CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1

BDBM50326208

CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1

BDBM50434356

COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1

BDBM50434339

COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4)c3c2s1

BDBM50434347

COC(=N)c1nc2ccc3ncnc(Nc4ccc5OCOc5c4)c3c2s1

BDBM84532

COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1

BDBM59192

COC(=O)c1c(O)ccc2c1oc1cccc(O)c1c2=O

BDBM50426328

COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br

BDBM50426327

COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F

BDBM50426329

COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)N(C)c2c1cccc2Br

BDBM50426309

COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br

BDBM50426308

COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2C(F)(F)F

BDBM50426310

COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12

BDBM50426318

COC(=O)c1ccc2[nH]c(C3C(=O)N(C)c4c3cccc4Br)c(N=O)c2c1

BDBM50426322

COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1

BDBM50426321

COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1

BDBM50426312

COC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1

BDBM50026612

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

BDBM50426317

COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br

BDBM50426339

COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F

BDBM31340

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

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

BDBM126500

COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|

BDBM50267760

COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|

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|

BDBM50309910

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

BDBM23412

COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1

BDBM50049395

COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1

BDBM50021616

COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|

BDBM164884

COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1

BDBM164883

COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|

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

BDBM50155420

COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O

BDBM59193

COc1cc(OC)c2c(c1)oc1c(O)ccc(O)c1c2=O

BDBM50355494

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

BDBM50580886

COc1cc(\C=C2/S\C(NC2=O)=N\c2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1

BDBM482158

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

BDBM50064898

COc1cc(ccc1O)-c1oc2c(OC)c(OC)c(OC)c(O)c2c(=O)c1OC

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

BDBM153483

COc1cc2cc3C(O)CC4CC(=O)C(=C4c3nc2cc1OC)[Si](C)(C)C |c:14|

BDBM5447

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

BDBM50250570

COc1cc2oc(cc(=O)c2c(OC)c1O)-c1ccccc1

BDBM50435019

COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N

BDBM50435039

COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N

BDBM50570974

COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1

BDBM50229962

COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1

BDBM50154918

COc1ccc(CNc2nc(NCc3ccc(cc3)-c3ccccn3)c3[nH]nc(C(C)C)c3n2)cc1

BDBM32362

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

BDBM12621

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

BDBM50440138

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1

BDBM50440137

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1

BDBM50440136

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1

BDBM50440135

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1

BDBM50440139

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1

BDBM50435020

COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1

BDBM50435040

COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1

BDBM50435029

COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM50097864

COc1ccc(cc1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1

BDBM50262022

COc1ccc(cc1)-c1ccnc(Nc2cccc(N)c2)n1

BDBM50267079

COc1ccc(cc1)-c1coc2[nH]c(=O)c3cccn3c12

BDBM6939

COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12

BDBM50267109

COc1ccc(cc1O)-c1c[nH]c2C(=O)c3cccn3-c12

BDBM50267161

COc1ccc(cc1O)-c1c[nH]c2C(N=O)c3cccn3-c12

BDBM50240446

COc1ccc(cc1OC)-c1c[nH]c2C(=O)c3cccn3-c12

BDBM50267041

COc1ccc(cc1OC)-c1c[nH]c2[nH]c(=O)c3cccn3c12

BDBM50240447

COc1ccc(cc1OC)-c1coc2C(=O)c3cccn3-c12

BDBM50267081

COc1ccc(cc1OC)-c1coc2[nH]c(=O)c3cccn3c12

BDBM50267108

COc1ccc(cc1OCc1ccccc1)-c1c[nH]c2C(=O)c3cccn3-c12

BDBM50267160

COc1ccc(cc1OCc1ccccc1)-c1c[nH]c2C(N=O)c3cccn3-c12

BDBM7238

COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|

BDBM50238989

COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1

BDBM100152

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

BDBM50097855

COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O

BDBM50097854

COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O

BDBM50097870

COc1ccc2c3[nH]c4c(F)cccc4c3c(nc2c1)C(O)=O

BDBM50097856

COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O

BDBM153482

COc1ccc2cc3C(O)CC4CC(=O)C(=C4c3nc2c1)[Si](C)(C)C |c:15|

BDBM50097862

COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1

BDBM153481

COc1ccc2nc3C4=C(C(=O)CC4CC(O)c3cc2c1)[Si](C)(C)C |t:8|

BDBM50097863

COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1

BDBM50295875

COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12

BDBM50295882

COc1cccc(c1)-c1cnc(N)nc1-c1cn(C)c2ccccc12

BDBM50267565

COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|

BDBM50097872

COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O

BDBM50193090

COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1

BDBM173196

COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|

BDBM173197

COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |c:13|

BDBM50297028

COc1nc(NN)c(C#N)c(-c2ccccc2)c1C#N

BDBM50297027

COc1nc(NNC(C)=O)c(C#N)c(-c2ccccc2)c1C#N

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,)|

BDBM50155216

CSc1cnc(NC(=O)Cc2ccccc2)s1

BDBM50154935

CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1

BDBM50467169

CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)CCN(C)C)nc-23)n1

BDBM7525

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

BDBM50184807

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

BDBM50511926

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

BDBM50511931

C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r|

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|

BDBM444586

C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r|

BDBM444589

C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|

BDBM444579

C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|

BDBM444561

C[C@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|

BDBM7524

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

BDBM50591706

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

BDBM50308060

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

BDBM153480

C[Si](C)(C)C1=C2C(CC1=O)CC(Cl)c1cc3ccccc3nc21 |t:4|

BDBM153477

C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21 |t:4|

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|

BDBM50608893

Cc1[nH]cnc1-c1nccc2c3ccccc3[nH]c12

BDBM50186376

Cc1cc(nc(OC2CCCCC2)n1)-c1cnc(Nc2ccccn2)s1

BDBM50155230

Cc1cc2ncn(CC(=O)Nc3ncc(s3)C3CCC3)c2cc1C

BDBM21079

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

BDBM50267078

Cc1ccc(cc1)-c1coc2[nH]c(=O)c3cccn3c12

BDBM13533

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

BDBM50194668

Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50299081

Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|

BDBM50097877

Cc1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1

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

BDBM50186374

Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50468264

Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|

BDBM15138

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

BDBM13216

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

BDBM444620

Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F

BDBM444593

Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|

BDBM444594

Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|

BDBM444548

Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F

BDBM50155235

Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1

BDBM59199

Clc1cc2CN(COc2c2ncccc12)C1CCN(Cc2ccccc2)CC1

BDBM59201

Clc1cc2CN(Oc2c2ncccc12)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1

BDBM50224883

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

BDBM59198

Clc1ccc(Nc2ncc(s2)C(=O)c2ccc(Cl)cc2Cl)cc1

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM50267107

Clc1ccc(cc1)-c1c[nH]c2C(=O)c3cccn3-c12

BDBM50267040

Clc1ccc(cc1)-c1c[nH]c2[nH]c(=O)c3cccn3c12

BDBM50267080

Clc1ccc(cc1Cl)-c1coc2[nH]c(=O)c3cccn3c12

BDBM50519158

Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1

BDBM50113281

Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1

BDBM24654

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

BDBM357015

Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

BDBM31088

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

BDBM50191425

Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12 |(16.04,-29.76,;14.79,-28.85,;13.33,-29.34,;12.86,-30.81,;12.42,-28.1,;10.88,-28.11,;9.98,-29.37,;8.5,-28.9,;7.16,-29.67,;5.82,-28.9,;5.82,-27.35,;7.15,-26.58,;8.49,-27.34,;9.97,-26.86,;10.19,-25.33,;8.97,-24.37,;13.32,-26.85,;13,-25.36,;14.13,-24.33,;15.6,-24.8,;15.92,-26.3,;17.39,-26.77,;14.78,-27.32,)|

BDBM50191442

Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Br)c12 |t:5|

BDBM50021615

Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28|

BDBM50021614

Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12 |c:24|

BDBM50295885

Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)-c2ccccc2)c2ccccc12

BDBM50295880

Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(N)=O)c2ccccc12

BDBM50295877

Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(O)=O)c2ccccc12

BDBM50295879

Cn1cc(-c2nc(N)ncc2-c2cccc(N)c2)c2ccccc12

BDBM50295878

Cn1cc(-c2nc(N)ncc2-c2ccncc2)c2ccccc12

BDBM50295883

Cn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc12

BDBM50295872

Cn1cc(-c2nc(N)ncc2I)c2ccccc12

BDBM50312990

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(F)ccc12 |t:4|

BDBM50128285

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

BDBM50267607

Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4|

BDBM50267523

Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4|

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50355497

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

BDBM5718

Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12

BDBM50297037

Cn1nc(N)c2c(-c3ccccc3)c(C#N)c(N)nc12

BDBM50297038

Cn1nc(N)c2cc(C#N)c(N)nc12

BDBM50312153

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

BDBM50426306

FC(F)(F)c1cccc2C(C(=O)Nc12)=C1Nc2ccc(cc2C1=O)-c1nnn[nH]1 |w:14.16|

BDBM50426319

FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)-c1nnn[nH]1

BDBM50426320

FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)C#N

BDBM50426324

FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccccc2c1N=O

BDBM50426307

FC(F)(F)c1cccc2\C(C(=O)Nc12)=C1\Nc2ccc(cc2C1=O)C#N

BDBM50435018

Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1

BDBM50435038

Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1

BDBM50601417

Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cn5ccccc5n4)c(c1)c23)C(=O)N1CCCCC1 |t:11|

BDBM50435028

Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccncc3)cc2)c(c1)C#N

BDBM50132260

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

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,)|

BDBM50267077

Fc1ccc(cc1)-c1coc2[nH]c(=O)c3cccn3c12

BDBM7508

Ic1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1

BDBM7509

Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1

BDBM7510

Ic1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1

BDBM50355501

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

BDBM50435037

N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1

BDBM50435030

N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM50435022

N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1

BDBM50435034

N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1

BDBM50435031

N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM50295873

NC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccccc12

BDBM50110208

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

BDBM50259155

NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|

BDBM84529

NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1

BDBM84530

NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1

BDBM50235337

NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cc[nH]c3n2)cc1

BDBM50235336

NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cn[nH]c3n2)cc1

BDBM50235342

NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1

BDBM50235335

NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nn[nH]c3n2)cc1

BDBM50295876

Nc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12

BDBM50297036

Nc1n(nc2nc(N)c(cc12)C#N)-c1ccccc1

BDBM50313641

Nc1n[nH]c2cc(N)c(C#N)c(-c3ccccc3)c12

BDBM50297030

Nc1n[nH]c2nc(Cl)c(C#N)c(-c3ccccc3)c12

BDBM50297039

Nc1n[nH]c2nc(N)c(C#N)c(-c3ccccc3)c12

BDBM50297026

Nc1n[nH]c2nc(N)c(cc12)C#N

BDBM50297029

Nc1n[nH]c2nc(N3CCOCC3)c(C#N)c(-c3ccccc3)c12

BDBM50093398

Nc1nc(Cl)c2ncn(C3CCCC3)c2n1

BDBM25084

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

BDBM59197

Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1

BDBM59195

Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl

BDBM59196

Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)C(F)(F)F

BDBM59194

Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O

BDBM6866

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

BDBM50235341

Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1

BDBM50295881

Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(n1)-c1c[nH]c2ccccc12

BDBM50295874

Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccccc12

BDBM10838

Nc1nccc(n1)-c1c[nH]c2cccc(O)c12

BDBM50570973

O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

BDBM50155214

O=C(Cc1c[nH]c2ccccc12)Nc1ncc(s1)C1CCC1

BDBM7108

O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1

BDBM50155231

O=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(s1)C1CCC1

BDBM50155236

O=C(Cc1ccc2ncccc2c1)Nc1ncc(s1)C1CCC1

BDBM50462709

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

BDBM50155237

O=C(Cc1cccc2cnccc12)Nc1ncc(s1)C1CCC1

BDBM50315888

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

BDBM50155217

O=C(Cc1ccccc1)Nc1ncc(s1)-c1ccccc1

BDBM50155229

O=C(Cc1ccccc1)Nc1ncc(s1)C1=CCCC1 |t:17|

BDBM50155225

O=C(Cc1ccccc1)Nc1ncc(s1)C1CCC1

BDBM50155206

O=C(Cc1ccccc1)Nc1ncc(s1)C1CCCC1

BDBM50155228

O=C(Cc1ccccc1)Nc1ncc(s1)C1CCCCC1

BDBM50155220

O=C(Cn1ccc2ccccc12)Nc1ncc(s1)C1CCC1

BDBM50355496

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

BDBM50378826

O=C(Nc1cc(c[nH]1)C1CCC1)Nc1cccc2ccncc12

BDBM50155222

O=C(Nc1ncc(s1)C1CCC1)Nc1ccc2cnccc2c1

BDBM50155221

O=C(Nc1ncc(s1)C1CCC1)Nc1ccc2ncccc2c1

BDBM50155223

O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2c[nH]nc12

BDBM50155213

O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ccncc12

BDBM50155209

O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2cnccc12

BDBM50155207

O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ncccc12

BDBM50155232

O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2nn[nH]c12

BDBM50155211

O=C(Nc1ncc(s1)C1CCC1)Nc1ccccc1

BDBM27344

O=C1NCCc2[nH]c(cc12)-c1ccncc1

BDBM20819

O=C1Nc2ccccc2CN1c1csc(n1)-c1ccncc1

BDBM20842

O=c1[nH]c2ccccc2cc1-c1csc(n1)-c1ccncc1

BDBM84531

OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1

BDBM31093

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

BDBM50426333

OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br

BDBM50426326

OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F

BDBM50426330

OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2ccccc12

BDBM50426314

OC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12

BDBM50426337

OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1

BDBM50426335

OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1

BDBM50426336

OC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1

BDBM50097878

OC(=O)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1

BDBM50426315

OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br

BDBM50426316

OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F

BDBM50426313

OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2ccccc12

BDBM50097857

OC(=O)c1nc2cc(Cl)ccc2c2[nH]c3c(Cl)cccc3c12

BDBM50097861

OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12

BDBM50097860

OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(Cl)cccc3c12

BDBM50097859

OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12

BDBM50097871

OC(=O)c1nc2ccc(I)cc2c2[nH]c3ccc(Cl)cc3c12

BDBM50097868

OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12

BDBM50097867

OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12

BDBM50097869

OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12

BDBM50097875

OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F

BDBM50097876

OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)[N+]([O-])=O

BDBM50097873

OC(=O)c1nc2ccccc2c2[nH]c3ccccc3c12

BDBM50097866

OC(=O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12

BDBM50097865

OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12

BDBM25628

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

BDBM7529

OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r|

BDBM7528

OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 |r|

BDBM7530

OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 |r|

BDBM50426325

OCc1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br

BDBM50426332

OCc1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1

BDBM50609501

O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|

BDBM50012188

O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12

BDBM50191405

Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|

BDBM15236

Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O

BDBM7460

Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

BDBM7459

Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1

BDBM50155426

Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O

BDBM50155436

Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O

BDBM59191

Oc1cc(O)c2c(c1)oc1cccc(O)c1c2=O