SMILES for TRAF2 and NCK-interacting protein kinase

CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|

BDBM497267

CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)|

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

BDBM31085

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

BDBM579778

CCOC(=O)Nc1ccc(Nc2cc([nH]n2)-c2cc3ccccc3s2)c(C)c1

BDBM579725

CCOC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(O)cc2)c(C)c1

BDBM579765

CCOC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(C)c1

BDBM608237

CCOC(=O)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1

BDBM613735

CCOC(=O)c1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1

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

BDBM613783

CCOc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1

BDBM613769

CCOc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1

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|

BDBM579722

CCc1cc(NC(C)=O)ccc1Nc1cc([nH]n1)-c1ccc(O)cc1

BDBM579715

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1c[nH]c2ccccc12

BDBM579707

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1cc2ccccc2s1

BDBM579709

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(Cl)s1

BDBM579718

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(I)cc1

BDBM579727

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(O)c(F)c1

BDBM579693

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(O)cc1

BDBM579802

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-c1cn[nH]c1

BDBM579712

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1

BDBM579697

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1ccnc1

BDBM579792

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1cccc(I)c1

BDBM579708

CCc1cc(O)ccc1Nc1cc([nH]n1)-c1csc2ccccc12

BDBM579786

CCc1cc(O)ccc1Nc1n[nH]c(c1F)-c1ccc(I)cc1

BDBM613801

CCc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1

BDBM608257

CCc1cccc(C)c1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM613788

CCc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1

BDBM613776

CCc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1

BDBM613766

CCc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1

BDBM25013

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

BDBM50602981

CCn1ccc2cc(cnc12)-c1ccc2c(OCCN(Cc3cccc(OC)c3)C2=O)c1

BDBM50549686

CN(C)C(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccc(CN2CCN(C)CC2)cc1

BDBM50549669

CN(C)C1CCN(C1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)C#N)c2c1

BDBM50355499

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

BDBM579740

CN(C)CC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(O)c(F)c2)c(C)c1

BDBM579742

CN(C)CCC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(O)c(F)c2)c(C)c1

BDBM173976

CN(C)CCNc1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O

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|

BDBM174186

CN(C)[C@H]1CCN(Cc2ccc(cc2)C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)C1 |r|

BDBM579775

CN(C)c1ccc(cc1)-c1[nH]nc(Nc2ccc(O)cc2C)c1F

BDBM579700

CN(C)c1ccc(cc1)-c1cc(Nc2ccc(NC(C)=O)cc2)n[nH]1

BDBM579701

CN(C)c1ccc(cc1)-c1cc(Nc2ccc(O)cc2C)n[nH]1

BDBM50519662

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

BDBM50535490

CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1

BDBM173994

CN(CCO)c1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O

BDBM26474

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

BDBM174030

CN(c1nc(C(N)=O)c(NC(=O)c2ccc(cc2)N2CCN(C)CC2)s1)c1ccc2ccccc2c1

BDBM173993

CN(c1nc(C(N)=O)c(NC(=O)c2ccc(cc2)N2CCN(C)CC2)s1)c1ccc2ncccc2c1

BDBM174016

CN(c1nc(C(N)=O)c(NC(=O)c2csc(CN3CCOCC3)c2)s1)c1ccc2ncccc2c1

BDBM585252

CN1C2CCC1CN(C2)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1 |TLB:0:1:3.4:7.6.8,THB:9:7:1:3.4|

BDBM50549663

CN1CCC(CC1)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(NS(C)(=O)=O)c(Cl)c(c3)C#N)c2c1

BDBM174155

CN1CCCN(Cc2ccc(cc2)C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)CC1

BDBM50549674

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)C#N)c2c1

BDBM50549673

CN1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)C#N)c2c1

BDBM13534

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

BDBM585280

CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C(F)F)-c2ccc(F)cc2)cc1

BDBM585278

CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C)-c2ccc(F)cc2)cc1

BDBM585238

CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wD:27.30,(-10.31,-2.42,;-8.77,-2.42,;-8,-3.76,;-6.46,-3.76,;-5.69,-2.42,;-6.46,-1.09,;-8,-1.09,;-4.15,-2.42,;-3.38,-3.76,;-1.84,-3.76,;-1.07,-2.42,;.47,-2.42,;1.24,-1.09,;.47,.25,;2.78,-1.09,;3.68,-2.33,;5.15,-1.86,;5.15,-.32,;3.68,.16,;6.39,.59,;6.39,2.13,;7.86,2.6,;8.76,1.36,;7.86,.11,;8.33,-1.35,;9.84,-1.67,;10.31,-3.14,;9.28,-4.28,;9.76,-5.75,;7.78,-3.96,;7.3,-2.5,;5.15,3.03,;5.31,4.56,;4.06,5.47,;2.65,4.84,;1.41,5.75,;2.49,3.31,;3.74,2.41,;-1.84,-1.09,;-3.38,-1.09,)|

BDBM585277

CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(C)(C)C)-c2ccc(F)cc2)cc1

BDBM585274

CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1

BDBM585246

CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2[C@H]2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wU:27.30,wD:24.26,(-10.31,-.25,;-8.77,-.25,;-8,-1.58,;-6.46,-1.58,;-5.69,-.25,;-6.46,1.09,;-8,1.09,;-4.15,-.25,;-3.38,-1.58,;-1.84,-1.58,;-1.07,-.25,;.47,-.25,;1.24,1.09,;.47,2.42,;2.78,1.09,;3.68,2.33,;5.15,1.86,;5.15,.32,;3.68,-.16,;6.39,-.59,;7.86,-.11,;8.76,-1.36,;7.86,-2.6,;6.39,-2.13,;5.15,-3.03,;3.74,-2.41,;2.49,-3.31,;2.65,-4.84,;1.41,-5.75,;4.06,-5.47,;5.31,-4.56,;8.33,1.35,;9.84,1.67,;10.31,3.14,;9.28,4.28,;9.76,5.75,;7.78,3.96,;7.3,2.5,;-1.84,1.09,;-3.38,1.09,)|

BDBM585239

CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2ncn(C(F)F)c2-c2ccc(F)cc2)cc1

BDBM173977

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O

BDBM173989

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ncccc3c2)nc1C(N)=O

BDBM173992

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1sc(Nc2cccc3cccnc23)nc1C(N)=O

BDBM173991

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1sc(Nc2cccc3ncccc23)nc1C(N)=O

BDBM25118

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

BDBM585267

CN1CCN(CC1=O)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1

BDBM174139

CN1CCN(C\C=C\C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)CC1

BDBM174021

CN1CCN(Cc2cc(cs2)C(=O)Nc2sc(Nc3cccc4ncccc34)nc2C(N)=O)CC1

BDBM50549675

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cc(C#N)c5[nH]ncc5c4)c3c2)CC1

BDBM50549680

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cc(NS(=O)(=O)C5CC5)cc(c4)C#N)c3c2)CC1

BDBM50549679

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cc(NS(C)(=O)=O)c(Cl)c(c4)C#N)c3c2)CC1

BDBM50549681

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cc(NS(C)(=O)=O)cc(c4)C#N)c3c2)CC1

BDBM50549689

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(Cl)cc4)c3c2)CC1

BDBM420213

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)CC1

BDBM50549682

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(NS(C)(=O)=O)cc4)c3c2)CC1

BDBM50441567

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1

BDBM50549677

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]cnc5c4)c3c2)CC1

BDBM420217

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ncc5c4)c3c2)CC1

BDBM50549687

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cccc(N)c4)c3c2)CC1

BDBM50549684

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cccc(NC(C)=O)c4)c3c2)CC1

BDBM50549683

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cccc(NS(C)(=O)=O)c4)c3c2)CC1

BDBM50549688

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cccc(c4)C#N)c3c2)CC1

BDBM50549678

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cccc5ccccc45)c3c2)CC1

BDBM50549690

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccccc4)c3c2)CC1

BDBM50549676

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cnc5[nH]ncc5c4)c3c2)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

BDBM173982

CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)CC1

BDBM5655

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

BDBM50585045

CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2

BDBM579777

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2cc3ccccc3s2)c(C)c1

BDBM579815

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(Br)cc2)c(C)c1

BDBM579728

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(O)c(F)c2)c(C)c1

BDBM579808

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(OC)cc2)c(C)c1

BDBM579813

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-c2c[nH]nc2C(F)(F)F)c(C)c1

BDBM579806

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-c2cc(OC)ccc2F)c(C)c1

BDBM579803

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-c2cn[nH]c2)c(C)c1

BDBM579763

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(C)c1

BDBM579811

CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)S(C)(=O)=O)c(C)c1

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

BDBM50549685

CNC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccc(CN2CCN(C)CC2)cc1

BDBM50549664

CNC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cc(NS(C)(=O)=O)c(Cl)c(c3)C#N)c2c1

BDBM50549672

CNC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)C#N)c2c1

BDBM25117

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

BDBM50059889

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

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

BDBM311212

COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)cn1 |r|

BDBM579779

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2cc3ccccc3s2)c(C)c1

BDBM579816

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(Br)cc2)c(C)c1

BDBM579821

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(Cl)cc2)c(C)c1

BDBM579822

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(N)cc2)c(C)c1

BDBM579820

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(O)c(F)c2)c(C)c1

BDBM579809

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(OC)cc2)c(C)c1

BDBM579814

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-c2c[nH]nc2C(F)(F)F)c(C)c1

BDBM579807

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-c2cc(OC)ccc2F)c(C)c1

BDBM579804

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-c2cn[nH]c2)c(C)c1

BDBM579817

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-c2cnn(C)c2)c(C)c1

BDBM579764

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(C)c1

BDBM579819

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)C(F)(F)F)c(C)c1

BDBM579812

COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)S(C)(=O)=O)c(C)c1

BDBM50026612

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

BDBM50602963

COC(=O)c1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM613741

COC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM31340

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

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

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

BDBM50602954

COc1cc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc(OC)c1

BDBM50602965

COc1cc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)ccc1F

BDBM50600389

COc1cc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3c2)ccc1F

BDBM613779

COc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc(OC)c1

BDBM497376

COc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(C)cc2)cc(OC)c1

BDBM613771

COc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc(OC)c1

BDBM4552

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

BDBM50424546

COc1cc(Nc2cc(ccn2)-c2ccc(cc2)C#N)ccc1N1CCOCC1

BDBM50424541

COc1cc(Nc2cc(ccn2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1

BDBM50424537

COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCN(C)CC1

BDBM50424540

COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCOCC1

BDBM174039

COc1cc(Nc2nc(C(N)=O)c(NC(=O)c3ccsc3)s2)cc2ccccc12

BDBM50424538

COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1

BDBM60665

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

BDBM579685

COc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(N)cc1

BDBM50355494

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

BDBM50528194

COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

BDBM50424543

COc1cc(cc(c1)-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N

BDBM482158

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

BDBM50600363

COc1cc(cnc1N)-c1ccc2n(Cc3ccc(F)cc3)c(=O)oc2c1

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

BDBM608242

COc1ccc(C)cc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1

BDBM50602958

COc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1

BDBM50602959

COc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1OC

BDBM32362

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

BDBM50424542

COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(CCN3CCOCC3)cc2)c1

BDBM50424535

COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1

BDBM50424539

COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1

BDBM12621

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

BDBM579796

COc1ccc(F)c(c1)-c1ccc(cc1)-c1cc(Nc2ccc(O)cc2C)n[nH]1

BDBM579793

COc1ccc(F)c(c1)-c1cccc(c1)-c1cc(Nc2ccc(O)cc2C)n[nH]1

BDBM50424545

COc1ccc(F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1

BDBM613765

COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(OC)c1

BDBM613767

COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1Cl

BDBM613799

COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1OC

BDBM608258

COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(C)cc2)cc1

BDBM613804

COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1

BDBM613787

COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1OC

BDBM608272

COc1ccc(OC)c(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1

BDBM579785

COc1ccc(cc1)-c1[nH]nc(Nc2ccc(O)cc2C)c1F

BDBM579780

COc1ccc(cc1)-c1cc(Nc2ccc(NC(C)=O)cc2Cl)n[nH]1

BDBM579753

COc1ccc(cc1)-c1cc(Nc2ccc(NS(C)(=O)=O)cc2C)n[nH]1

BDBM579682

COc1ccc(cc1)-c1cc(Nc2ccc(O)cc2C)n[nH]1

BDBM571553

COc1ccc(cc1)-c1cc(Nc2ccc3[nH]ncc3c2)n[nH]1

BDBM173969

COc1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ncccc3c2)nc1C(N)=O

BDBM50424532

COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)c1)C#N

BDBM50424547

COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1)C#N

BDBM50424533

COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N

BDBM50424544

COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C(F)(F)F

BDBM50424536

COc1ccc(cc1-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)c1)C#N

BDBM50424534

COc1ccc(cc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1)C#N

BDBM579769

COc1ccc(cn1)-c1cc(Nc2ccc(NC(C)=O)cc2C)n[nH]1

BDBM579768

COc1ccc(cn1)-c1cc(Nc2ccc(NS(C)(=O)=O)cc2C)n[nH]1

BDBM579767

COc1ccc(cn1)-c1cc(Nc2ccc(O)cc2C)n[nH]1

BDBM174213

COc1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)c4ccc(Cn5ccnc5)cc4)s3)ccc2c1

BDBM174101

COc1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)c4ccc(N)cc4)s3)ccc2c1

BDBM174078

COc1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)c4ccc(NCCO)cc4)s3)ccc2c1

BDBM50602962

COc1cccc(CN2CC(C)(C)Oc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602964

COc1cccc(CN2CCCc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602956

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2c[nH]c3ncccc23)c1

BDBM50602991

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cc(OC)c(OC)c(OC)c2)c1

BDBM50602988

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc(C=O)nc2)c1

BDBM50602986

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc(F)nc2)c1

BDBM50576389

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc(N)nc2)c1

BDBM50602989

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc(OC)nc2)c1

BDBM50576386

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc3OCOc3c2)c1

BDBM50602985

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc3occc3c2)c1

BDBM50602975

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cccnc2)c1

BDBM50602978

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccn3nc(N)nc3c2)c1

BDBM50602987

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccnc(OC)c2)c1

BDBM50576391

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccnc3[nH]ccc23)c1

BDBM50602955

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc(N)c(c2)C#N)c1

BDBM50602971

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc(N)c(c2)C(\N)=N\O)c1

BDBM50602990

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc(OC)nc2)c1

BDBM50602982

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3NCCc3c2)c1

BDBM50576392

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602983

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3n2)c1

BDBM50602976

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ncc3c2)c1

BDBM50602977

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3ccnn3c2)c1

BDBM50602980

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3n(C)ccc3c2)c1

BDBM50602984

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3nccnc3c2)c1

BDBM50576390

COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cncnc2)c1

BDBM50602960

COc1cccc(CN2CCOc3ccc(cc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602951

COc1cccc(CN2CCc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602946

COc1cccc(CN2COc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602967

COc1cccc(CN2Cc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602943

COc1cccc(CNC(=O)c2ccc(cc2OC)-c2cnc3[nH]ccc3c2)c1

BDBM50600399

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2ccc(N)nc2)c1

BDBM50600394

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2ccc3NCCc3c2)c1

BDBM50600395

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2ccc3[nH]c(cc3c2)C(=O)NC2CC2)c1

BDBM50600396

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2ccc3[nH]cc(C(=O)NC4CC4)c3c2)c1

BDBM50600390

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2ccc3[nH]ccc3c2)c1

BDBM50600397

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2cccnc2)c1

BDBM50600392

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2ccnc3[nH]ccc23)c1

BDBM50600400

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc(C#N)c(C)c2)c1

BDBM50600387

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50600391

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3n2)c1

BDBM50600393

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc3cc[nH]c3c2)c1

BDBM50600398

COc1cccc(Cn2c3ccc(cc3oc2=O)-c2cncnc2)c1

BDBM50602979

COc1cccc(Cn2ccc3cc(ccc23)-c2cnc3[nH]ccc3c2)c1

BDBM50602944

COc1cccc(NC(=O)c2ccc(cc2OC)-c2cnc3[nH]ccc3c2)c1

BDBM613806

COc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1

BDBM613737

COc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(C)cc2)c1

BDBM613792

COc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1

BDBM50602945

COc1cccc(c1)N1COc2cc(ccc2C1=O)-c1cnc2[nH]ccc2c1

BDBM613795

COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM613782

COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1

BDBM613868

COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM613867

COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCOC1)-c1ccc(F)cc1

BDBM613866

COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1CC1CCOC1)-c1ccc(F)cc1

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

BDBM50549670

CS(=O)(=O)Nc1cc(cc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(=O)N1CCCC1)C#N

BDBM50549668

CS(=O)(=O)Nc1cc(cc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(=O)N1CCCCC1)C#N

BDBM50549671

CS(=O)(=O)Nc1cc(cc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(=O)NC1CC1)C#N

BDBM579717

CS(=O)(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(O)cc2)c(Cl)c1

BDBM579731

CS(=O)(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)cc1

BDBM50138153

CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(O)cc1

BDBM13336

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

BDBM608253

CSc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1

BDBM613733

CSc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1

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,)|

BDBM174112

C[C@@H](O)CNc1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O |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|

BDBM174111

C[C@H](O)CNc1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O |r|

BDBM50308060

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

BDBM585272

C[N+]1([O-])CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1

BDBM613877

C[NH+]1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(F)c1

BDBM50045333

C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1

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|

BDBM613777

Cc1cc(C)c(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(C)c1

BDBM613742

Cc1cc(C)c(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c(C)c1

BDBM613773

Cc1cc(Cl)ccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM613814

Cc1cc(F)ccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM579721

Cc1cc(N)ccc1Nc1cc([nH]n1)-c1ccc(O)cc1

BDBM579720

Cc1cc(NC(=O)C(F)(F)F)ccc1Nc1cc([nH]n1)-c1ccc(O)cc1

BDBM579738

Cc1cc(NC(=O)CCCl)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1

BDBM579741

Cc1cc(NC(=O)CCN2CCOCC2)ccc1Nc1cc([nH]n1)-c1ccc(O)c(F)c1

BDBM579739

Cc1cc(NC(=O)CCN2CCOCC2)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1

BDBM613874

Cc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2COC2)-c2ccc(F)cc2)c(F)cn1

BDBM613883

Cc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2COCC2F)-c2ccc(F)cc2)c(F)cn1

BDBM579723

Cc1cc(NS(C)(=O)=O)c(F)cc1Nc1cc([nH]n1)-c1ccc(O)cc1

BDBM579747

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1c[nH]c2ccccc12

BDBM579776

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1cc2ccccc2s1

BDBM579755

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(Br)cc1

BDBM579760

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(F)cc1

BDBM579746

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(I)cc1

BDBM579726

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(O)c(F)c1

BDBM579689

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(O)cc1

BDBM579790

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cc(F)cn1

BDBM579743

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1

BDBM579704

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1ccnc1

BDBM579754

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)C#N

BDBM579759

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)N1CCOCC1

BDBM579773

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(nc1)-n1cccn1

BDBM579782

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1cccc(c1)-n1cccn1

BDBM579752

Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccccc1

BDBM579705

Cc1cc(NS(C)(=O)=O)ccc1Nc1n[nH]c(c1F)-c1ccc(cc1)-n1ccnc1

BDBM579798

Cc1cc(O)c(F)cc1Nc1cc([nH]n1)-c1ccc(O)cc1

BDBM579805

Cc1cc(O)c(F)cc1Nc1cc([nH]n1)-c1ccc(cc1)-c1cn[nH]c1

BDBM579797

Cc1cc(O)c(F)cc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1

BDBM579714

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1c[nH]c2ccccc12

BDBM579706

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1cc2ccccc2s1

BDBM579724

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(Cl)nc1

BDBM579683

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(N)cc1

BDBM579694

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(O)c(F)c1

BDBM579686

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(O)cc1

BDBM579801

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-c1c[nH]nc1C(F)(F)F

BDBM579788

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-c1cccnc1

BDBM579794

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-c1cn[nH]c1

BDBM579799

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-c1cnn(C)c1

BDBM579789

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cc(F)cn1

BDBM579692

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1ccnc1

BDBM579698

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)C#N

BDBM579818

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)C(F)(F)F

BDBM579770

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)N1CCC1=O

BDBM579761

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)N1CCCC1=O

BDBM579762

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)N1CCCCC1=O

BDBM579758

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)N1CCOCC1

BDBM579771

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(nc1)-n1cccn1

BDBM579787

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1cccc(c1)-c1cccnc1

BDBM579795

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1cccc(c1)-c1cnn(C)c1

BDBM579781

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1cccc(c1)-n1cccn1

BDBM579750

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccccc1

BDBM579711

Cc1cc(O)ccc1Nc1cc([nH]n1)-c1cncc(Br)c1

BDBM579791

Cc1cc(O)ccc1Nc1n[nH]c(c1F)-c1c[nH]c2ccccc12

BDBM579691

Cc1cc(O)ccc1Nc1n[nH]c(c1F)-c1ccc(O)cc1

BDBM579702

Cc1cc(ccc1O)-c1cc(Nc2ccc(O)cc2C)n[nH]1

BDBM613786

Cc1ccc(C)c(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1

BDBM613738

Cc1ccc(Cl)cc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM21079

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

BDBM613803

Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(C)c1

BDBM613824

Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1

BDBM613791

Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1Cl

BDBM613805

Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1F

BDBM613789

Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c(C)c1

BDBM613764

Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c(Cl)c1

BDBM613811

Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1C

BDBM613778

Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1Cl

BDBM613819

Cc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)cc1

BDBM613780

Cc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM13533

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

BDBM50139421

Cc1ccc(cc1)C(=O)Nc1sc(Nc2ccccc2)nc1C(N)=O

BDBM173974

Cc1ccc(cc1N)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O

BDBM174116

Cc1ccc(s1)C(=O)Nc1sc(Nc2ccc3cc(CO)ccc3c2)nc1C(N)=O

BDBM613809

Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM613798

Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1

BDBM50600388

Cc1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3c2)c1

BDBM613822

Cc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1

BDBM613807

Cc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1C

BDBM613794

Cc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1C

BDBM613821

Cc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1

BDBM613815

Cc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1

BDBM174203

Cc1cn(Cc2ccc(cc2)C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cn1

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

BDBM579800

Cc1n[nH]c(C)c1-c1ccc(cc1)-c1cc(Nc2ccc(O)cc2C)n[nH]1

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

BDBM571725

Cc1nc2cc(Nc3cc([nH]n3)-c3ccc(cc3)-n3cccn3)ccc2[nH]1

BDBM174202

Cc1nccn1Cc1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O

BDBM174222

Cc1nnc(Cc2ccc(cc2)C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)o1

BDBM174209

Cc1nnnn1Cc1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O

BDBM174221

Cc1noc(Cc2ccc(cc2)C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)n1

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM50613394

Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM24654

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

BDBM31088

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

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|

BDBM50549665

Cn1cc(cn1)-c1ccc(cc1)-c1cnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)C#N)c2c1

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM613875

Cn1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1

BDBM50355497

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

BDBM50602992

FC(F)(F)Oc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50600384

FC(F)(F)Oc1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602949

FC(F)(F)c1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1

BDBM50602968

FC(F)(F)c1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50600383

FC(F)(F)c1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602948

FC(F)Oc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1

BDBM50600385

FC(F)Oc1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3c2)c1

BDBM613878

FC1COCC1n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1

BDBM613880

FC1COCC1n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncn1)-c1ccc(F)cc1

BDBM613879

F[C@@H]1COC[C@H]1n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|

BDBM50535492

Fc1cc(ccn1)-c1ccc2ccncc2n1

BDBM50132260

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

BDBM50602994

Fc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c(F)c1

BDBM50602947

Fc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1

BDBM50602957

Fc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1Cl

BDBM50600380

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2c[nH]c3ncccc23)cc1

BDBM50600366

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2ccc3[nH]c(=O)cnc3c2)cc1

BDBM50600368

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2ccc3[nH]ccc3c2)cc1

BDBM50600373

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2ccc3ncnn3c2)cc1

BDBM50600372

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2ccc3nncn3c2)cc1

BDBM50600370

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2ccc3scnc3c2)cc1

BDBM50600374

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2ccn3ncnc3c2)cc1

BDBM50600375

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2ccnc3[nH]ncc23)cc1

BDBM50600367

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3c2)cc1

BDBM50600369

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3n2)cc1

BDBM50600377

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2cnc3cccnn23)cc1

BDBM50600371

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2cnc3ccnn3c2)cc1

BDBM50600378

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2cnc3cnccn23)cc1

BDBM50600376

Fc1ccc(Cn2c3ccc(cc3oc2=O)-c2cnc3ncccn23)cc1

BDBM50602961

Fc1ccc(F)c(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM613825

Fc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1

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,)|

BDBM613843

Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613855

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(NC(=O)c2ccccc2F)o1

BDBM613790

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1cc(F)ccc1F

BDBM613775

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Br)cc1

BDBM613810

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Cl)cc1

BDBM613763

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Cl)cc1F

BDBM613818

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)c(F)c1

BDBM613813

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)cc1F

BDBM613754

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM613823

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1cccc(F)c1

BDBM608267

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Br

BDBM613768

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1C(F)(F)F

BDBM613793

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Cl

BDBM613820

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613838

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F

BDBM613856

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(s1)C(=O)Nc1ccccc1F

BDBM613839

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cccc(n1)C(=O)Nc1ccccc1F

BDBM613859

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cnc(o1)C(=O)Nc1ccccc1F

BDBM613837

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc([nH]1)C(=O)Nc1ccccc1F

BDBM613836

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc(o1)C(=O)Nc1ccccc1F

BDBM613860

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc(s1)C(=O)Nc1ccccc1F

BDBM613862

Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1nnc([nH]1)C(=O)Nc1ccccc1F

BDBM613800

Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Cl)cc1

BDBM608270

Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Cl)cc1F

BDBM613808

Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)c(F)c1

BDBM613796

Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)cc1F

BDBM613817

Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1cccc(F)c1

BDBM613785

Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Cl

BDBM613812

Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613830

Fc1ccc(cc1)-c1ncn(C2CCNC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613850

Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613831

Fc1ccc(cc1)-c1ncn(C2CCOC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613873

Fc1ccc(cc1)-c1ncn(C2COC2)c1-c1ccc(o1)C(=O)Nc1cc[nH]c(=O)c1

BDBM613871

Fc1ccc(cc1)-c1ncn(C2COCC2(F)F)c1-c1ccc(o1)C(=O)Nc1cc[nH]c(=O)c1

BDBM613869

Fc1ccc(cc1)-c1ncn(C2COCC2(F)F)c1-c1ccc(o1)C(=O)Nc1ccncn1

BDBM585276

Fc1ccc(cc1)-c1ncn(CC(F)(F)F)c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC(F)(F)F)CC1

BDBM585264

Fc1ccc(cc1)-c1ncn(CC(F)(F)F)c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCNCC1

BDBM613826

Fc1ccc(cc1)-c1ncn(CC2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613833

Fc1ccc(cc1)-c1ncn(CC2CCCN2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613832

Fc1ccc(cc1)-c1ncn(CC2CCCO2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613828

Fc1ccc(cc1)-c1ncn(CC2CCNC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613827

Fc1ccc(cc1)-c1ncn(CC2CCOC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613865

Fc1ccc(cc1)-c1ncn(CC2CCOC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F

BDBM613834

Fc1ccc(cc1)-c1nnn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM613840

Fc1ccc(cc1)C1=C(C(CC2CCCC2)C=N1)c1ccc(o1)C(=O)Nc1ccccc1F |c:18,t:8|

BDBM50602969

Fc1ccc(cc1CN1CCOc2cc(ccc2C1=O)-c1cnc2[nH]ccc2c1)C(F)(F)F

BDBM613835

Fc1ccc(cn1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F

BDBM50600381

Fc1cccc(Cn2c3ccc(cc3oc2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50602995

Fc1cccc(F)c1CN1CCOc2cc(ccc2C1=O)-c1cnc2[nH]ccc2c1

BDBM50602993

Fc1ccccc1CN1CCOc2cc(ccc2C1=O)-c1cnc2[nH]ccc2c1

BDBM50600382

Fc1ccccc1Cn1c2ccc(cc2oc1=O)-c1cnc2[nH]ccc2c1

BDBM613852

Fc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1cccnc1

BDBM613851

Fc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccncc1

BDBM613854

Fc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1cncnc1

BDBM50355501

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

BDBM571721

N(c1cc([nH]n1)-c1ccc(cc1)-n1cccn1)c1ccc2[nH]ncc2c1

BDBM50110208

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

BDBM174103

NC(=O)c1nc(Nc2ccc3cc(CO)ccc3c2)sc1NC(=O)C1CC1

BDBM174035

NC(=O)c1nc(Nc2ccc3cc(CO)ccc3c2)sc1NC(=O)c1ccsc1

BDBM174214

NC(=O)c1nc(Nc2ccc3cc(F)ccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)cc1

BDBM174077

NC(=O)c1nc(Nc2ccc3cc(F)ccc3c2)sc1NC(=O)c1ccc(NCCO)cc1

BDBM174087

NC(=O)c1nc(Nc2ccc3ccc(F)cc3c2)sc1NC(=O)C1CC1

BDBM174095

NC(=O)c1nc(Nc2ccc3ccc(F)cc3c2)sc1NC(=O)CCCCCN1CCOCC1

BDBM174227

NC(=O)c1nc(Nc2ccc3ccc(F)cc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)cc1

BDBM174089

NC(=O)c1nc(Nc2ccc3ccc(F)cc3c2)sc1NC(=O)c1ccc(NCCO)cc1

BDBM174045

NC(=O)c1nc(Nc2ccc3ccc(F)cc3c2)sc1NC(=O)c1ccsc1

BDBM174169

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#C

BDBM174199

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#CCCCn1ccnc1

BDBM174198

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#CCCCn1cncn1

BDBM174190

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#CCCO

BDBM174183

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#CCO

BDBM174058

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C1CC1

BDBM174057

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)CCCCCN1CCOCC1

BDBM174000

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1cc2sccc2[nH]1

BDBM174081

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CCO)cc1

BDBM174217

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2C(=O)CSC2=O)cc1

BDBM174166

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CC(O)C2)cc1

BDBM174138

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCC(O)CC2)cc1

BDBM174154

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCCCC2CO)cc1

BDBM174150

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCN(CCO)CC2)cc1

BDBM174145

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCNC(=O)C2)cc1

BDBM173983

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCOCC2)cc1

BDBM174167

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CC[C@@H](O)C2)cc1 |r|

BDBM174168

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CC[C@H](O)C2)cc1 |r|

BDBM174128

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CNCCO)cc1

BDBM174196

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cc2nn[nH]n2)cc1

BDBM174225

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cc(CO)nn2)cc1

BDBM174197

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cccn2)cc1

BDBM174173

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)cc1

BDBM174216

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)s1

BDBM174200

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2[N+]([O-])=O)cc1

BDBM174211

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cnc(CO)c2)cc1

BDBM174204

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cnc(c2)[N+]([O-])=O)cc1

BDBM174208

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cnc(n2)[N+]([O-])=O)cc1

BDBM174160

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cncn2)cc1

BDBM174170

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cnnn2)cc1

BDBM173981

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(N)cc1

BDBM173978

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCN2CCCCC2)cc1

BDBM174086

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCO)c(N)c1

BDBM173975

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCO)cc1

BDBM174062

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(cc1)N1CCC(O)CC1

BDBM174152

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(cc1)N1CCN(CCO)CC1

BDBM173998

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc[nH]1

BDBM174223

NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1csc(Cn2ccnc2)c1

BDBM174011

NC(=O)c1nc(Nc2ccc3cnccc3c2)sc1NC(=O)c1ccsc1

BDBM174215

NC(=O)c1nc(Nc2ccc3ncccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)cc1

BDBM174224

NC(=O)c1nc(Nc2cccc3cccnc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1

BDBM174219

NC(=O)c1nc(Nc2cccc3ncccc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1

BDBM174005

NC(=O)c1nc(Nc2cccc3ncccc23)sc1NC(=O)c1ccsc1

BDBM174220

NC(=O)c1nc(Nc2ccnc3ccccc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1

BDBM174187

NC1CCN(Cc2ccc(cc2)C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)CC1

BDBM174153

NCCNc1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O

BDBM173988

NCc1ccc(cc1)C(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O

BDBM613876

NS(=O)(=O)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(F)c1

BDBM174185

N[C@H]1CCN(Cc2ccc(cc2)C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)C1 |r|

BDBM50600365

Nc1ccc(cn1)-c1ccc2n(Cc3ccc(F)cc3)c(=O)oc2c1

BDBM50134771

Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1

BDBM25084

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

BDBM6866

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

BDBM50535489

Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1

BDBM50600364

Nc1ncc(cc1C#N)-c1ccc2n(Cc3ccc(F)cc3)c(=O)oc2c1

BDBM299256

Nc1ncnc2ccc(nc12)-c1ccnc(F)c1

BDBM50600379

Nc1ncnn2c(ccc12)-c1ccc2n(Cc3ccc(F)cc3)c(=O)oc2c1

BDBM50355496

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

BDBM50273541

O=C(Nc1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N)c1cccnc1

BDBM571620

O=C1CCc2cc(Nc3cc([nH]n3)-c3ccc(cc3)-n3cccn3)ccc2N1

BDBM571674

O=C1CCc2cc(Nc3cc([nH]n3)-c3ccc(cc3)-n3ccnc3)ccc2N1

BDBM571724

O=C1COc2cc(Nc3cc([nH]n3)-c3ccc(cc3)-n3cccn3)ccc2N1

BDBM50602970

O=C1N(CC2CCCCC2)CCOc2cc(ccc12)-c1cnc2[nH]ccc2c1

BDBM50602974

O=C1N(Cc2ccc(cc2)-c2ccccc2)CCOc2cc(ccc12)-c1cnc2[nH]ccc2c1

BDBM50602973

O=C1N(Cc2ccc(cc2)-c2ccccc2C#N)CCOc2cc(ccc12)-c1cnc2[nH]ccc2c1

BDBM50602952

O=C1N(Cc2ccc(cc2)C#N)CCOc2cc(ccc12)-c1cnc2[nH]ccc2c1

BDBM50602966

O=C1N(Cc2cccc(c2)-c2ccccc2)CCOc2cc(ccc12)-c1cnc2[nH]ccc2c1

BDBM50602972

O=C1N(Cc2cccc(c2)C#N)CCOc2cc(ccc12)-c1cnc2[nH]ccc2c1

BDBM50602950

O=Cc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50600386

O=c1oc2cc(ccc2n1Cc1cccc(c1)C#N)-c1cnc2[nH]ccc2c1

BDBM31093

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

BDBM585247

OCCN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wD:29.32,(-11.47,1.09,;-9.93,1.09,;-9.16,-.25,;-7.62,-.25,;-6.85,-1.58,;-5.31,-1.58,;-4.54,-.25,;-5.31,1.09,;-6.85,1.09,;-3,-.25,;-2.23,-1.58,;-.69,-1.58,;.08,-.25,;1.62,-.25,;2.39,1.09,;1.62,2.42,;3.93,1.09,;4.84,2.33,;6.3,1.86,;6.3,.32,;4.84,-.16,;7.55,-.59,;9.01,-.11,;9.92,-1.36,;9.01,-2.6,;7.55,-2.13,;6.3,-3.03,;6.46,-4.56,;5.22,-5.47,;3.81,-4.84,;2.56,-5.75,;3.65,-3.31,;4.89,-2.41,;9.49,1.35,;10.99,1.67,;11.47,3.14,;10.44,4.28,;10.91,5.75,;8.93,3.96,;8.46,2.5,;-.69,1.09,;-2.23,1.09,)|

BDBM25628

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

BDBM613884

O[C@@H]1CCC[C@H]1n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|

BDBM613886

O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|

BDBM143712

O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4nc[nH]c4c3)nc12 |r,wU:4.7,1.0,(8.52,-4.99,;7.19,-4.22,;5.85,-4.99,;4.52,-4.22,;4.52,-2.68,;5.85,-1.91,;7.19,-2.68,;3.19,-1.91,;3.19,-.37,;4.52,.4,;4.52,1.94,;3.19,2.71,;1.85,1.94,;.52,2.71,;-.82,1.94,;-.82,.4,;-2.15,-.37,;-3.48,.4,;-3.48,1.94,;-4.82,2.71,;-6.15,1.94,;-7.61,2.41,;-8.52,1.17,;-7.61,-.08,;-6.15,.4,;-4.82,-.37,;.52,-.37,;1.85,.4,)|

BDBM50024294

Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|

BDBM579810

Oc1cc(F)c(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)cc1F

BDBM579729

Oc1ccc(Nc2cc([nH]n2)-c2ccc(O)c(F)c2)c(F)c1

BDBM579687

Oc1ccc(Nc2cc([nH]n2)-c2ccc(O)cc2)cc1

BDBM579749

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(Cl)c1

BDBM579745

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(F)c1

BDBM579744

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(c1)C(F)(F)F

BDBM579748

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)cc1F

BDBM579736

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)c(Cl)c1

BDBM579732

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)c(F)c1

BDBM579733

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)c(c1)C(F)(F)F

BDBM579699

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)cc1

BDBM579735

Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)cc1F

BDBM579696

Oc1ccc(cc1)-c1cc(Nc2ccc(O)c(F)c2)n[nH]1

BDBM579695

Oc1ccc(cc1)-c1cc(Nc2ccc(O)cc2C(F)(F)F)n[nH]1

BDBM579710

Oc1ccc(cc1)-c1cc(Nc2ccc(O)cc2Cl)n[nH]1

BDBM579688

Oc1ccc(cc1)-c1cc(Nc2ccc(O)cc2F)n[nH]1

BDBM571612

Oc1ccc(cc1)-c1cc(Nc2ccc3NC(=O)CCc3c2)n[nH]1

BDBM571722

Oc1ccc(cc1)-c1cc(Nc2ccc3[nH]ncc3c2)n[nH]1

BDBM13531

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

BDBM571666

Oc1ccc(cc1F)-c1cc(Nc2ccc3NC(=O)Cc3c2)n[nH]1

BDBM571723

Oc1ccc(cc1F)-c1cc(Nc2ccc3[nH]ncc3c2)n[nH]1

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM613872

Oc1cncc(F)c1NC(=O)c1ccc(o1)-c1c(ncn1C1COC1)-c1ccc(F)cc1

BDBM613870

Oc1cncc(F)c1NC(=O)c1ccc(o1)-c1c(ncn1C1COCC1(F)F)-c1ccc(F)cc1

BDBM613881

Oc1cncc(F)c1NC(=O)c1ccc(o1)-c1c(ncn1C1COCC1F)-c1ccc(F)cc1

BDBM174102

[#6]-[#8]-c1ccc2cc(-[#7]-c3nc(-[#6](-[#7])=O)c(-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])s3)ccc2c1

BDBM174104

[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1sc(-[#7]-c2ccc3cc(-[#6]-[#8])ccc3c2)nc1-[#6](-[#7])=O

BDBM174093

[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1sc(-[#7]-c2ccc3ccc(F)cc3c2)nc1-[#6](-[#7])=O

BDBM174048

[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1sc(-[#7]-c2ccc3ccccc3c2)nc1-[#6](-[#7])=O

BDBM31094

[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|

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|

BDBM50602953

[O-][N+](=O)c1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1

BDBM50445250

c1[nH]c2ncc(cc2c1-c1ccccc1)-c1ccccc1