SMILES for Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](OC(C)=O)c1ccccc1)C(O)=O

BDBM50117495

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](OC(C)=O)c1ccccc1)C(O)=O

BDBM50117493

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:4.4,38.43,16.23,53.53,2.2,wD:47.49,8.12,27.34,64.64,(19.9,-.05,;19.9,-1.61,;18.56,-2.39,;17.23,-1.62,;18.59,-3.93,;17.23,-4.71,;15.9,-3.93,;15.9,-2.39,;14.57,-4.72,;14.57,-6.26,;15.64,-7.35,;15.25,-8.83,;17.14,-6.94,;13.24,-3.95,;11.9,-4.72,;11.9,-6.26,;10.57,-3.96,;10.57,-2.41,;11.65,-1.31,;11.65,.23,;12.98,1.01,;12.98,2.55,;11.64,3.32,;14.31,3.33,;9.24,-4.73,;7.88,-3.96,;7.88,-2.42,;6.55,-4.74,;6.55,-6.29,;7.88,-7.06,;7.88,-8.6,;9.22,-9.37,;9.19,-10.91,;7.86,-11.67,;10.52,-11.69,;5.22,-3.97,;3.89,-4.74,;3.89,-6.29,;2.56,-3.97,;2.53,-2.43,;3.86,-1.66,;3.86,-.12,;5.2,.67,;5.17,2.21,;1.2,-4.74,;-.13,-3.96,;-.11,-2.42,;-1.46,-4.72,;-1.46,-6.26,;-.39,-7.35,;-2.8,-3.95,;-4.13,-4.71,;-4.15,-6.25,;-5.46,-3.93,;-6.79,-4.7,;-5.46,-2.39,;-6.79,-1.62,;-8.2,-2.24,;-9.22,-1.1,;-8.45,.23,;-6.96,-.08,;19.92,-4.7,;19.9,-6.19,;21.25,-3.93,;22.58,-4.7,;22.58,-6.24,;23.33,-7.57,;24.87,-7.57,;25.62,-8.89,;24.85,-10.22,;23.33,-10.22,;22.56,-8.89,;23.92,-3.91,;25.25,-4.67,;23.92,-2.37,)|

BDBM50117496

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O

BDBM50117492

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](CO)Cc1ccccc1

BDBM50117494

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](CO)Cc1ccccc1

BDBM50117499

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](O)c1ccccc1)C(O)=O

BDBM50117491

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NC(=Cc1ccccc1)C(O)=O |w:65.66|

BDBM50117488

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

BDBM50117497

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O

BDBM50117498

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](O)c1ccccc1)C(O)=O

BDBM50117490

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NC(=Cc1ccccc1)C(O)=O |w:64.65|

BDBM50133579

CC(C)(C)ONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1

BDBM50133555

Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCCCC2)cs1

BDBM50133565

CN(NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1)c1ccccc1

BDBM50133553

Cc1cccc(c1)-c1nc(NC(=O)NN2CCOCC2)cs1

BDBM50133574

Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCCCCC2)cs1

BDBM50133551

CN(C)NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1

BDBM50133568

Clc1ccccc1-c1nc(NC(=O)NN2CCOCC2)cs1

BDBM50133577

O=C(NN1CCOCC1)Nc1csc(CSc2ccccc2)n1

BDBM50133557

Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCOCC2)cs1

BDBM50133550

COc1ccc(OCc2nc(NC(=O)NN3CCOCC3)cs2)cc1

BDBM50133554

O=C(NN1CCOCC1)Nc1csc(Cc2ccccc2)n1

BDBM50133561

O=C(NN1CCOCC1)Nc1csc(COc2ccccc2)n1

BDBM50133556

O=C(NN1CCOCC1)Nc1csc(n1)-c1ccccc1

BDBM50133580

CCONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1

BDBM50133566

CS(=O)(=O)Cc1nc(NC(=O)NOc2ccccc2)cs1

BDBM50133560

Cc1cccc(c1)-c1nc(NC(=O)NOc2ccccc2)cs1

BDBM50133552

O=C(NOc1ccccc1)Nc1csc(Cc2ccccc2)n1

BDBM50133549

CONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1

BDBM50133567

Clc1cccc(Cl)c1Cc1nc(NC(=O)NOCC=C)cs1

BDBM50133569

O=C(NN1CCOCC1)Nc1csc(CS(=O)(=O)c2ccccn2)n1

BDBM50133559

O=C(NN1CCOCC1)Nc1csc(n1)-c1cccs1

BDBM50133564

Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCCC2)cs1

BDBM50133575

Clc1cccc(Cl)c1Cc1nc(NC(=O)NOC2CCCCO2)cs1

BDBM50133573

Clc1cccc(Cl)c1Cc1nc(NC(=O)NOc2ccccc2)cs1

BDBM50133576

O=C(NOc1ccccc1)Nc1csc(n1)-c1ccccc1

BDBM50147457

COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12 |t:8|

BDBM50147463

OCCCn1cc(C2=C(C(=O)NC2=O)c2ncc(cc2Cl)C(F)(F)F)c2cccnc12 |t:7|

BDBM50147458

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

BDBM50156670

CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1

BDBM50169892

OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1

BDBM50175237

CCCCN(C)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175232

CN1CCN(CC1)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175239

O=C(NC1CCCCC1)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175234

O=C(NCCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175241

COc1ccc(CNC(=O)c2cc3c(n[nH]c3s2)-c2ccccc2)cc1

BDBM50179798

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179787

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-c1cccc(Cl)c1

BDBM50179792

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179814

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(CNc2nccs2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1

BDBM50179789

BDBM50179788

[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179807

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179811

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(CNc2ccn(C)n2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1

BDBM50179785

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179804

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179805

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(CC2CCNCC2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1

BDBM50179813

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O

BDBM50179783

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O

BDBM50179786

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O

BDBM50179795

BDBM50179810

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-[#7])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O

BDBM50179794

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-c1cccc(Cl)c1

BDBM50179803

BDBM50179781

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-c1cccc(Cl)c1

BDBM50179790

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179784

CC[C@H](NC(=O)c1ccc(CNc2nccs2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1

BDBM50179793

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O

BDBM50179809

BDBM50179780

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O

BDBM50179791

BDBM50179796

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179799

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-[#7]-[#6](-[#7])=O)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O

BDBM50179797

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179808

BDBM50179802

CC(C)C[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(CNc2nccs2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1

BDBM50179801

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

BDBM50179800

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](/[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-c1cccc(Cl)c1

BDBM50179812

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-c1cccc(Cl)c1

BDBM50179782

BDBM50179806

[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-c1cccc(Cl)c1

BDBM50188067

CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(C)c1

BDBM50188074

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1

BDBM50188078

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C)cc1

BDBM50188076

CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1

BDBM50188066

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1

BDBM50188072

CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(Br)c1

BDBM50188069

O=C1c2ccccc2-n2cc3c(cc12)[nH+]c1ccccc31

BDBM50188081

COc1cccc(c1)C(=O)N(C)CCc1c[nH]c2ccccc12

BDBM50188068

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)cc1

BDBM50188077

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1Br

BDBM50188080

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C

BDBM50188079

COc1ccccc1C(=O)N(C)CCc1c[nH]c2ccccc12

BDBM50188071

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccccc1

BDBM50188075

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Br)cc1

BDBM50188073

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1Cl

BDBM50188064

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)C(C)(C)C

BDBM50188070

CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(F)c1

BDBM50188065

CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1F

BDBM50199017

CS(=O)(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199007

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199020

C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199022

COc1ccc(cc1)C(=O)Nc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199015

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199025

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM5655

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

BDBM50199023

Oc1ccc(N2CCCC2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM50199010

Oc1ccc(NC(=O)c2ccc(Cl)cc2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM50199016

Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2Cl)c1NC(=O)c1ccc(Cl)cc1

BDBM50199026

Cc1ccc(cc1)C(=O)Nc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199018

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199027

CCC(C)OC(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199021

Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM50199028

COc1ccc(cc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM50199024

Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2Cl)c1NC(=O)c1ccccc1

BDBM50199013

Oc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM50199008

Oc1ccc(N2CCCCC2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM50199014

Oc1ccc(N2CCOCC2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM50199011

Oc1ccc(NS(=O)(=O)c2ccccc2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM50199006

Oc1ccc(NC(=O)c2ccccc2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM47167

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|

BDBM50307524

CC(CN(C)C)NC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307512

Cn1nc(C(=O)N(O)Cc2ccccc2)c2CCc3cnc(NC4CCCC4)nc3-c12

BDBM50307520

Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCCC4)nc3-c12

BDBM50307521

CCN1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50307519

Cn1nc(C(N)=O)c2CCc3cnc(NCCN4CCCCC4)nc3-c12

BDBM50307523

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307525

CN(C)CCN(C)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307526

CN1CCN(CC1)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307522

Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12

BDBM50307550

CC(=O)N1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12

BDBM50307531

CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307517

Cn1nc(C(N)=O)c2CCc3cnc(N)nc3-c12

BDBM50307538

NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccc(cc1)S(N)(=O)=O

BDBM50307542

COc1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50307553

COc1ccc(cc1)-n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12

BDBM50307547

COc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1

BDBM50307508

CN(O)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307510

Cn1nc(C(=O)N(O)C2CCCCC2)c2CCc3cnc(NC4CCCC4)nc3-c12

BDBM50307527

NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307530

CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12

BDBM50307511

NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccc1

BDBM50307529

NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307541

Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccc4)nc3-c12

BDBM50307528

NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccn1

BDBM50307516

NC(=O)c1nn(CCO)c-2c1CCc1cnc(NC3CCCC3)nc-21

BDBM50307548

Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(Br)cc4)nc3-c12

BDBM50307537

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21

BDBM50307506

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

BDBM50307536

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

BDBM50307535

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

BDBM50307532

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCCC3)nc-21

BDBM50307552

Cn1nc(C(N)=O)c2CCc3cnc(NCc4cccnc4)nc3-c12

BDBM50307546

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

BDBM50307554

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)N3CCN(C)CC3)nc-21

BDBM50307514

Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccn4)nc3-c12

BDBM50307515

CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50307518

Cn1nc(C(N)=O)c2CCc3cnc(NCCN4CCOCC4)nc3-c12

BDBM50307513

Cn1nc(C(N)=O)c2CCc3cnc(NCCO)nc3-c12

BDBM50307534

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

BDBM50307533

CN1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50307555

CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(=O)NC

BDBM50307549

Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccncc4)nc3-c12

BDBM50307551

CN1CCN(CC1)c1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50307545

Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(=O)(=O)c4ccccc4)nc3-c12

BDBM50307544

CN1CCN(CC1)c1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1

BDBM50307507

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

BDBM50307543

Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(C)(=O)=O)nc3-c12

BDBM50307539

CC(=O)Nc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1

BDBM50307540

Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(cc4)S(C)(=O)=O)nc3-c12

BDBM50307509

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3)nc-21

BDBM50311954

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

BDBM50311953

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

BDBM50312568

CC1=NC(N[N-][CH+]c2ccco2)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |c:12,t:1|

BDBM50312564

Cc1cc(NS(=O)(=O)c2ccc(NC3=NC(C(C(=O)Nc4cccc(c4)[N+]([O-])=O)C(C)=N3)c3ccc(O)cc3O)cc2)[n-][o+]1 |c:31,t:13|

BDBM50312565

Cc1ccc(NC(=O)c2c(C)nc(nc2-c2ccc(O)cc2O)S(=O)(=O)Cc2ccccc2)cc1

BDBM50312566

Cc1nc(nc(-c2ccc(O)cc2O)c1C(=O)Nc1cccc(c1)[N+]([O-])=O)S(=O)(=O)Cc1ccccc1

BDBM50312562

CC1=NC(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |c:22,t:1|

BDBM50312567

CC1=NC(NN)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |c:5,t:1|

BDBM50312563

CC1=NC(Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |c:24,t:1|

BDBM50312569

CC1=NC(N[N-][CH+]c2cccs2)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |c:12,t:1|

BDBM50312575

CC[C@H](CO)Nc1nc2N(CNc2c(NCc2ccccc2)n1)C(C)C |r|

BDBM50312574

CC1=NC(NN2C(=S)SC(=Cc3ccccc3)C2=O)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |w:10.10,c:20,t:1|

BDBM50312560

CC1=NC(NCc2ccccc2)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |c:12,t:1|

BDBM50312558

CC1=NC(NCc2ccccc2)=NC(C1C(=O)Nc1ccc(C)cc1)c1ccc(O)cc1O |c:12,t:1|

BDBM50312561

CC1=NC(Nc2ccc(cc2Cl)[N+]([O-])=O)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |c:15,t:1|

BDBM50312576

CC1=NC(SCc2ccccc2)=NC(C1C(=O)Nc1ccc(C)cc1)c1ccc(O)cc1O |c:12,t:1|

BDBM50312559

CC1=NC(Nc2ccc(cc2Cl)[N+]([O-])=O)=NC(C1C(=O)Nc1ccc(C)cc1)c1ccc(O)cc1O |c:15,t:1|

BDBM50312577

CC1=NC(SCc2ccccc2)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |c:12,t:1|

BDBM50312573

CC1=NC(NN2C(=S)SC(=Cc3cccs3)C2=O)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |w:10.10,c:19,t:1|

BDBM50312572

CC1=NC(NN2C(=S)SC(=Cc3ccco3)C2=O)=NC(C1C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccc(O)cc1O |w:10.10,c:19,t:1|

BDBM50312571

Cc1nn(c([O-])c1[CH+]c1cccs1)C1=NC(C(C(=O)Nc2cccc(c2)[N+]([O-])=O)=C(C)N1)c1ccc(O)cc1O |t:15,31|

BDBM50312570

Cc1nn(c([O-])c1[CH+]c1ccco1)C1=NC(C(C(=O)Nc2cccc(c2)[N+]([O-])=O)=C(C)N1)c1ccc(O)cc1O |t:15,31|

BDBM50315069

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

BDBM50318076

CSc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50318085

Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50318101

CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12

BDBM31534

Cn1nc(C(=O)NC2CC2)c2CCc3cnc(Nc4ccccc4)nc3-c12

BDBM50318081

COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50318099

NC(=O)c1nn(CCN2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21

BDBM50318089

CC(=O)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1

BDBM50318075

CCOC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21

BDBM50318074

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4N)nc3-c12

BDBM50318088

CC(=O)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50318079

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

BDBM50318064

CC(=O)Nc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50318078

CC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50318063

COc1cc(ccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1

BDBM50318068

CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1C(C)=O

BDBM50318090

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c12

BDBM41575

COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1

BDBM50318095

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)C(F)(F)F)nc3-c12

BDBM31537

Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12

BDBM50318077

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(F)(F)F)nc3-c12

BDBM50318080

Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12

BDBM50318073

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

BDBM50318097

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c12

BDBM50318094

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c12

BDBM50318102

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4[N+]([O-])=O)nc3-c12

BDBM31532

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12

BDBM50318084

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Cc4ccccc4)nc3-c12

BDBM50318083

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Nc4ccccc4)nc3-c12

BDBM50318091

COc1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1

BDBM50318070

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(=O)c4ccccc4)nc3-c12

BDBM50318093

COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50318071

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Sc4ccccc4)nc3-c12

BDBM50318066

COC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50318072

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(N)=O)nc3-c12

BDBM31536

Cn1nc(C(=O)NC2CCCC2)c2CCc3cnc(Nc4ccccc4)nc3-c12

BDBM50318082

CC(C)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50318062

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4F)nc3-c12

BDBM31533

CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21

BDBM50318061

CNc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50318067

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4S(N)(=O)=O)nc3-c12

BDBM50318069

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4-c4ccccc4)nc3-c12

BDBM50318065

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Oc4ccccc4)nc3-c12

BDBM50318092

NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21

BDBM50318098

NC(=O)c1nn(c-2c1CCc1cnc(Nc3ccccc3)nc-21)-c1ccccc1

BDBM50318087

NC(=O)c1[nH]nc-2c1CCc1cnc(Nc3ccccc3)nc-21

BDBM50318096

NC(=O)c1nn(C2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21

BDBM50318100

CC(C)n1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12

BDBM50320203

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1

BDBM50327912

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

BDBM50329419

NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1Br

BDBM50329427

NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1

BDBM50330267

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM50330279

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1

BDBM50330280

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2cnc(cn2)N2CCNCC2)n1

BDBM50330260

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@H](C)C3)cn2)n1 |r|

BDBM50330261

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1

BDBM50330282

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(CCO)CC2)n1

BDBM50330283

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@@H](C)C2)n1 |r|

BDBM50330270

CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C

BDBM50330263

CC(C)c1n[nH]c(C)c1-c1ccnc(NC2CCN(C)CC2)n1

BDBM50330264

CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1Br

BDBM50330269

CC(C)c1[nH]ncc1-c1ccnc(NC2CCN(C)CC2)n1

BDBM50330278

CC(C)c1n[nH]c(C)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM50330272

CC(C)c1[nH]ncc1-c1ccnc(Nc2ccccn2)n1

BDBM50330273

Cc1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM50330286

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CC(C)NC(C)C2)n1

BDBM50330271

CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1

BDBM50330287

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@@H](C)C3)cn2)n1 |r|

BDBM50330265

CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1

BDBM50330266

CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM50330276

CC(C)(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM50330268

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)C2CCNCC2)n1

BDBM50330277

Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM50330281

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1

BDBM50330262

CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F

BDBM50330274

FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM50330275

C1CC1c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM50330288

Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1

BDBM50330289

Cc1[nH]ncc1-c1ccnc(NC2CCCCC2)n1

BDBM50330284

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@H](C)C2)n1 |r|

BDBM50330290

CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1

BDBM50330285

CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNC(C)(C)C2)n1

BDBM50330291

CC(C)c1[nH]ncc1-c1ccnc(NC2CCNCC2)n1

BDBM50331277

COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12

BDBM50334847

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(CC3CCNC3)nc12

BDBM50334848

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(CC3CCCNC3)nc12

BDBM50334878

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(CCN)nc12

BDBM50334846

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(CC3CCNCC3)nc12

BDBM50334849

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(C[C@H]3CCC[C@@H](N)C3)nc12 |r|

BDBM50334876

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CNCCS1

BDBM50334877

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CCNC1

BDBM50334874

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CCNCC1

BDBM50334875

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CNCCO1

BDBM50334851

Cn1cc(cn1)-c1cnn2c(N)cc(nc12)C1CCCNC1

BDBM50334852

Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5

BDBM50334850

Nc1cc(nc2c(Br)cnn12)C1CCCNC1

BDBM50334858

Cn1cc(cn1)-c1cnn2c(N)c(C3CC3)c(nc12)C1CCCNC1

BDBM50334859

Cn1cc(cn1)-c1cnn2c(N)c(CCO)c(nc12)C1CCCNC1

BDBM50334856

CCc1c(N)n2ncc(-c3cnn(C)c3)c2nc1C1CCCNC1

BDBM50334857

CC#Cc1c(N)n2ncc(-c3cnn(C)c3)c2nc1C1CCCNC1

BDBM50334862

Cn1cc(cn1)-c1cnn2c(N)c(-c3ccccc3)c(nc12)C1CCCNC1

BDBM50334863

Cn1cc(cn1)-c1cnn2c(N)c(-c3cccs3)c(nc12)C1CCCNC1

BDBM50334860

COC\C=C\c1c(N)n2ncc(-c3cnn(C)c3)c2nc1C1CCCNC1

BDBM50334861

Cn1cc(cn1)-c1cnn2c(N)c(C#N)c(nc12)C1CCCNC1

BDBM50334854

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CCCNC1

BDBM50334855

Cn1cc(cn1)-c1cnn2c(N)c(I)c(nc12)C1CCCNC1

BDBM50334853

Cn1cc(cn1)-c1cnn2c(N)c(Cl)c(nc12)C1CCCNC1

BDBM50334869

Nc1c(Br)c(nc2c(cnn12)-c1cccnc1)C1CCCNC1

BDBM50334870

Nc1c(Br)c(nc2c(cnn12)-c1ccoc1)C1CCCNC1

BDBM50334867

Cn1cc(cn1)-c1cnn2c(N)c(-c3ccncc3)c(nc12)C1CCCNC1

BDBM50334868

Cn1cc(cn1)-c1cnn2c(N)c(-c3cnn(C)c3)c(nc12)C1CCCNC1

BDBM50334873

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CCCCN1

BDBM50334871

Cc1ncc(s1)-c1cnn2c(N)c(Br)c(nc12)C1CCCNC1

BDBM50334872

Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)-c1cccnc1

BDBM50334865

Cn1cc(cn1)-c1cnn2c(N)c(-c3ccoc3)c(nc12)C1CCCNC1

BDBM50334866

Cn1cc(cn1)-c1cnn2c(N)c(-c3cccnc3)c(nc12)C1CCCNC1

BDBM50334864

Cn1cc(cn1)-c1cnn2c(N)c(-c3ccsc3)c(nc12)C1CCCNC1

BDBM50334914

[O-][n+]1cccc(CNc2cc(nc3c(Br)cnn23)-c2ccccc2F)c1

BDBM50334882

Nc1cc(nc2c(cnn12)C#N)C1CCCNC1

BDBM50334880

CC#Cc1cnn2c(N)cc(nc12)C1CCCNC1

BDBM50334911

Cn1cc(cn1)-c1cnn2c(Nc3nccs3)cc(nc12)C1CCCNC1

BDBM50334912

Cc1cc(Nc2cc(nc3c(cnn23)-c2cnn(C)c2)C2CCCNC2)no1

BDBM50334886

Nc1cc(nc2c(cnn12)-c1cccc(O)c1)C1CCCNC1

BDBM50334885

Nc1cc(nc2c(cnn12)-c1ccccc1)C1CCCNC1

BDBM50334884

C\C=C\c1cnn2c(N)cc(nc12)C1CCCNC1

BDBM50334883

CCc1cnn2c(N)cc(nc12)C1CCCNC1

BDBM50334888

Nc1cc(nc2c(cnn12)-c1cnccn1)C1CCCNC1

BDBM50334887

Nc1cc(nc2c(cnn12)-c1cncnc1)C1CCCNC1

BDBM50334905

CCOC(=O)c1ccc(Nc2cc(nc3c(cnn23)-c2cnn(C)c2)C2CCCNC2)cc1

BDBM50334904

Cn1cc(cn1)-c1cnn2c(Nc3ccccc3)cc(nc12)C1CCCNC1

BDBM50334903

Cn1cc(cn1)-c1cnn2c(NCc3cccnc3)cc(nc12)C1CCCNC1

BDBM50334902

Cn1cc(cn1)-c1cnn2c(NCCO)cc(nc12)C1CCCNC1

BDBM50334910

Cn1cc(cn1)-c1cnn2c(Nc3ccccn3)cc(nc12)C1CCCNC1

BDBM50334879

Nc1cc(nc2ccnn12)C1CCCNC1

BDBM50334906

Cn1cc(cn1)-c1cnn2c(Nc3ccc4OCOc4c3)cc(nc12)C1CCCNC1

BDBM50334907

Cc1nc2cc(Nc3cc(nc4c(cnn34)-c3cnn(C)c3)C3CCCNC3)ccc2s1

BDBM50334909

Cn1cc(cn1)-c1cnn2c(Nc3nncs3)cc(nc12)C1CCCNC1

BDBM50334894

Nc1cc(nc2c(cnn12)-c1cscn1)C1CCCNC1

BDBM50334893

Nc1cc(nc2c(cnn12)-c1cc[nH]n1)C1CCCNC1

BDBM50334891

Nc1cc(nc2c(cnn12)-c1cccs1)C1CCCNC1

BDBM50334898

Cn1cc(cn1)-c1cnn2c(NC3CCCCC3)cc(nc12)C1CCCNC1

BDBM50334897

CCNc1cc(nc2c(cnn12)-c1cnn(C)c1)C1CCCNC1

BDBM50334896

CNc1cc(nc2c(cnn12)-c1cnn(C)c1)C1CCCNC1

BDBM50334895

Nc1cc(nc2c(cnn12)-c1ccns1)C1CCCNC1

BDBM50334899

Cn1cc(cn1)-c1cnn2c(NC(C)(C)C)cc(nc12)C1CCCNC1

BDBM50334901

Cn1cc(cn1)-c1cnn2c(NCc3ccccc3)cc(nc12)C1CCCNC1

BDBM50334900

Cn1cc(cn1)-c1cnn2c(NC3CCNCC3)cc(nc12)C1CCCNC1

BDBM50334913

Nc1cc(nc2c(Br)cnn12)-c1ccccc1

BDBM50334890

Nc1cc(nc2c(cnn12)-c1ccsc1)C1CCCNC1

BDBM50343559

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

BDBM10838

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

BDBM50359359

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

BDBM13533

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

BDBM27351

Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1

BDBM50361094

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1

BDBM50361097

NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1

BDBM50361089

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1

BDBM50361090

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1

BDBM50361091

Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O

BDBM50361088

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1

BDBM50361092

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1

BDBM50361093

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1

BDBM50361096

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1

BDBM50361095

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1

BDBM50361098

Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O

BDBM4078

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

BDBM50366114

CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12

BDBM50142023

Oc1ccc2\C(CCc2c1)=C1/C(=O)Nc2ccccc12

BDBM50366930

NS(=O)(=O)c1cccc(c1)N=CC1C(=O)Nc2ccccc12 |w:10.10|

BDBM7755

O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:13.15|

BDBM50142032

Brc1cnc2NC(=O)\C(=C/c3cccc(Oc4ccccc4)c3)c2c1

BDBM50366932

CS(=O)(=O)Nc1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.11|

BDBM50366929

O=C1Nc2ccccc2C1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:10.11|

BDBM50142024

Cn1cc(\C=C2/C(=O)Nc3ncccc23)c2ccccc12

BDBM50142025

COc1ccccc1-c1cc(\C=C2/C(=O)Nc3ncc(Br)cc23)cc(Br)c1O

BDBM50366931

O=C1Nc2ccccc2C1C=Nc1ccc(cc1)-n1cncn1 |w:10.11|

BDBM50142026

Cn1cc(\C=C2/C(=O)Nc3cccnc23)c2ccccc12

BDBM50130719

Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1

BDBM50130725

Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6|

BDBM50130724

Nc1nonc1-n1nnc(C(=O)N\N=C\c2ccncc2)c1CN1CCCCC1

BDBM50130720

Nc1nonc1-n1nnc(C(=O)NCCc2ccncc2)c1CN1CCCCC1

BDBM50169959

c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4

BDBM50378205

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|

BDBM50378208

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NCC3CC3)nc12 |r,wU:25.26,wD:28.33,(3.5,-19.95,;4.25,-18.6,;5.79,-18.58,;3.46,-17.28,;4.35,-16.03,;3.44,-14.8,;1.98,-15.29,;.64,-14.54,;.64,-13,;-.7,-12.23,;-2.03,-13.01,;-2.02,-14.56,;-3.36,-15.33,;-4.69,-14.56,;-4.69,-13.01,;-3.36,-12.24,;-6.03,-15.33,;-7.36,-14.55,;-8.69,-15.32,;-8.69,-16.86,;-7.35,-17.63,;-6.02,-16.86,;-.68,-15.3,;-.68,-16.84,;-2.01,-17.62,;-2.01,-19.16,;-.67,-19.92,;-.67,-21.47,;-2,-22.24,;-3.33,-21.47,;-3.34,-19.94,;-2,-23.78,;-3.34,-24.55,;-3.34,-26.09,;-4.1,-27.43,;-2.56,-27.43,;.66,-17.61,;2,-16.82,)|

BDBM50378209

C[C@@H](CNc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1)NC(=O)OC(C)(C)C |r|

BDBM50378211

N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-2.35,-19.99,;-2.35,-18.45,;-1.02,-17.67,;-1.02,-16.13,;-2.36,-15.36,;-3.69,-16.14,;-3.68,-17.67,;-2.36,-13.82,;-1.03,-13.05,;-1.03,-11.51,;.29,-10.74,;.29,-9.2,;-1.05,-8.43,;-2.38,-9.21,;-2.37,-10.76,;-3.71,-11.53,;-5.04,-10.76,;-5.04,-9.22,;-3.71,-8.45,;-6.38,-11.53,;-7.71,-10.76,;-9.04,-11.52,;-9.04,-13.07,;-7.7,-13.84,;-6.37,-13.06,;1.63,-11.49,;3.09,-11.01,;4,-12.24,;3.11,-13.49,;3.9,-14.81,;3.31,-16.22,;4.47,-17.23,;5.79,-16.44,;5.44,-14.94,;1.65,-13.03,;.31,-13.81,)|

BDBM50378216

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(25.55,.35,;24.01,.33,;23.27,-1.02,;23.22,1.65,;24.11,2.9,;23.2,4.13,;21.74,3.64,;20.41,4.4,;20.4,5.94,;19.07,6.7,;17.73,5.93,;17.74,4.38,;16.4,3.6,;15.07,4.37,;15.07,5.92,;16.4,6.69,;13.74,3.61,;13.74,2.07,;12.41,1.3,;11.07,2.07,;11.07,3.61,;9.74,4.38,;12.4,4.38,;19.08,3.63,;19.08,2.09,;17.75,1.31,;17.76,-.23,;19.1,-.99,;19.1,-2.54,;17.76,-3.31,;17.76,-4.85,;16.43,-2.54,;16.43,-1,;20.42,1.32,;21.76,2.11,)|

BDBM50378213

COc1cccc(c1)-c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C(C)C)cc1 |r,wU:18.18,wD:21.22,(16.24,-19.66,;16.24,-21.2,;17.57,-21.97,;17.57,-23.51,;18.91,-24.28,;20.24,-23.51,;20.24,-21.98,;18.91,-21.2,;21.57,-21.21,;22.91,-21.98,;24.24,-21.21,;24.24,-19.66,;25.57,-18.88,;26.9,-19.65,;26.91,-21.19,;25.58,-21.95,;25.59,-23.49,;24.26,-24.27,;24.26,-25.81,;25.6,-26.57,;25.6,-28.12,;24.26,-28.89,;24.26,-30.43,;22.93,-28.12,;22.93,-26.59,;26.92,-24.26,;28.26,-23.47,;29.72,-23.93,;30.61,-22.68,;29.7,-21.45,;28.25,-21.94,;30.52,-25.25,;32.06,-25.23,;29.77,-26.6,;22.9,-18.89,;21.57,-19.66,)|

BDBM50378212

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.79,-2.71,;16.81,-1.56,;18.32,-1.86,;16.32,-.1,;17.21,1.15,;16.3,2.39,;14.84,1.9,;13.51,2.66,;13.5,4.2,;12.16,4.96,;10.83,4.19,;10.84,2.64,;9.51,1.87,;8.17,2.64,;8.16,4.17,;9.49,4.95,;6.85,1.87,;5.51,2.63,;4.18,1.86,;4.18,.31,;5.51,-.46,;6.85,.32,;12.18,1.88,;12.18,.35,;10.85,-.43,;10.86,-1.97,;12.19,-2.73,;12.19,-4.28,;10.86,-5.05,;10.86,-6.59,;9.52,-4.28,;9.52,-2.74,;13.52,-.42,;14.85,.37,)|

BDBM50378224

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCC3CCNCC3)nc12

BDBM50378210

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(nc12)N1CCC(CN)CC1

BDBM50378225

CC(C)n1cnc2c(NC(C)c3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(26.81,-28.42,;25.27,-28.44,;24.52,-29.79,;24.47,-27.12,;25.36,-25.87,;24.45,-24.64,;23,-25.13,;21.66,-24.37,;21.65,-22.83,;20.32,-22.07,;20.31,-20.53,;18.99,-22.84,;18.99,-24.39,;17.66,-25.17,;16.32,-24.4,;16.32,-22.85,;17.65,-22.08,;14.99,-25.16,;13.66,-24.39,;12.32,-25.16,;12.32,-26.7,;13.66,-27.47,;14.99,-26.7,;20.33,-25.14,;20.34,-26.68,;19.01,-27.46,;19.01,-29,;20.35,-29.76,;20.35,-31.31,;19.01,-32.08,;19.01,-33.62,;17.68,-31.31,;17.68,-29.77,;21.67,-27.45,;23.01,-26.66,)|

BDBM50378226

CCN(CC)[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:8.11,wD:5.4,(17.85,-27.15,;17.85,-25.61,;19.18,-24.84,;20.52,-25.61,;20.52,-27.15,;19.19,-23.3,;20.52,-22.53,;20.52,-20.98,;19.18,-20.22,;17.85,-20.99,;17.85,-22.53,;19.18,-18.68,;20.51,-17.9,;20.5,-16.36,;21.83,-15.59,;21.83,-14.05,;20.49,-13.29,;19.16,-14.06,;19.16,-15.61,;17.83,-16.39,;16.49,-15.61,;16.49,-14.07,;17.82,-13.3,;15.16,-16.38,;13.83,-15.61,;12.49,-16.38,;12.49,-17.92,;13.83,-18.69,;15.16,-17.92,;23.17,-16.35,;24.62,-15.86,;25.54,-17.09,;24.65,-18.34,;25.44,-19.66,;24.69,-21.01,;26.98,-19.64,;23.18,-17.88,;21.84,-18.67,)|

BDBM50378227

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccc(c3)C(O)=O)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.29,wD:31.33,(7.53,-40.27,;5.99,-40.3,;5.24,-41.64,;5.2,-38.98,;6.09,-37.73,;5.18,-36.49,;3.72,-36.98,;2.39,-36.23,;2.38,-34.69,;1.04,-33.92,;-.29,-34.7,;-.28,-36.25,;-1.62,-37.02,;-2.95,-36.25,;-2.95,-34.7,;-1.62,-33.93,;-4.28,-37.02,;-4.28,-38.55,;-5.61,-39.32,;-6.95,-38.55,;-6.95,-37.01,;-5.62,-36.24,;-8.28,-36.24,;-9.62,-37.01,;-8.28,-34.7,;1.06,-37,;1.06,-38.54,;-.27,-39.31,;-.26,-40.85,;1.08,-41.62,;1.08,-43.16,;-.26,-43.93,;-.26,-45.47,;-1.59,-43.16,;-1.59,-41.63,;2.4,-39.3,;3.74,-38.52,)|

BDBM50378228

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(nc12)N1CCC(CC1)C(N)=O

BDBM50378229

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)C(F)(F)F)nc12 |r,wU:25.26,wD:28.33,(2.02,-34.46,;2.77,-33.12,;4.31,-33.09,;1.98,-31.8,;2.87,-30.55,;1.96,-29.32,;.5,-29.8,;-.83,-29.05,;-.84,-27.51,;-2.18,-26.74,;-3.51,-27.52,;-3.5,-29.07,;-4.84,-29.84,;-6.17,-29.07,;-6.17,-27.53,;-4.84,-26.75,;-7.5,-29.84,;-8.84,-29.07,;-10.17,-29.83,;-10.17,-31.37,;-8.83,-32.15,;-7.5,-31.37,;-2.16,-29.82,;-2.16,-31.36,;-3.49,-32.13,;-3.48,-33.67,;-2.14,-34.44,;-2.14,-35.98,;-3.48,-36.75,;-4.81,-35.98,;-4.81,-34.45,;-3.48,-38.29,;-2.15,-39.07,;-1.38,-37.73,;-2.91,-40.4,;-.82,-39.83,;-.83,-41.37,;.51,-39.06,;-1.91,-40.92,;-.82,-32.12,;.52,-31.34,)|

BDBM50378230

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |r,wU:25.26,wD:28.30,(3.63,-15.66,;4.38,-14.31,;5.92,-14.29,;3.59,-12.99,;4.48,-11.74,;3.57,-10.51,;2.11,-11,;.78,-10.24,;.77,-8.7,;-.57,-7.94,;-1.9,-8.71,;-1.89,-10.26,;-3.23,-11.03,;-4.56,-10.26,;-4.56,-8.72,;-3.23,-7.95,;-5.89,-11.03,;-7.23,-10.26,;-8.56,-11.03,;-8.56,-12.57,;-7.22,-13.34,;-5.89,-12.57,;-.55,-11.01,;-.55,-12.55,;-1.88,-13.32,;-1.87,-14.86,;-.53,-15.63,;-.53,-17.18,;-1.87,-17.95,;-1.87,-19.49,;-3.2,-17.18,;-3.2,-15.64,;.79,-13.32,;2.13,-12.53,)|

BDBM50378232

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(27.59,-44.35,;26.05,-44.38,;25.3,-45.73,;25.26,-43.06,;26.15,-41.81,;25.24,-40.58,;23.78,-41.07,;22.45,-40.31,;22.44,-38.77,;21.1,-38.01,;19.77,-38.78,;19.78,-40.33,;18.44,-41.1,;17.11,-40.33,;17.11,-38.79,;18.44,-38.02,;15.78,-41.1,;15.78,-42.64,;14.45,-43.41,;13.11,-42.64,;13.11,-41.1,;11.78,-40.32,;14.44,-40.33,;21.12,-41.08,;21.12,-42.62,;19.79,-43.39,;19.8,-44.93,;21.14,-45.7,;21.13,-47.24,;19.8,-48.02,;19.8,-49.56,;18.47,-47.24,;18.47,-45.71,;22.46,-43.39,;23.8,-42.6,)|

BDBM50378217

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(6.47,-13.54,;4.93,-13.56,;4.19,-14.91,;4.14,-12.24,;5.03,-10.99,;4.12,-9.76,;2.67,-10.25,;1.33,-9.5,;1.32,-7.96,;-.01,-7.19,;-1.34,-7.97,;-1.34,-9.52,;-2.68,-10.29,;-4.01,-9.52,;-4.01,-7.97,;-2.68,-7.2,;-5.34,-10.29,;-6.67,-9.51,;-8.01,-10.28,;-8.01,-11.82,;-9.34,-12.59,;-6.67,-12.59,;-5.34,-11.82,;,-10.26,;.01,-11.8,;-1.33,-12.58,;-1.32,-14.12,;.02,-14.88,;.02,-16.43,;-1.32,-17.2,;-1.32,-18.74,;-2.65,-16.43,;-2.65,-14.9,;1.34,-12.57,;2.68,-11.78,)|

BDBM50378218

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cc(C)cc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:30.32,(25.07,-35.6,;23.53,-35.63,;22.78,-36.98,;22.74,-34.31,;23.63,-33.06,;22.72,-31.83,;21.26,-32.32,;19.93,-31.56,;19.92,-30.02,;18.58,-29.26,;17.25,-30.03,;17.26,-31.58,;15.92,-32.35,;14.59,-31.58,;14.59,-30.04,;15.92,-29.27,;13.26,-32.35,;11.92,-31.58,;10.59,-32.35,;9.26,-31.57,;10.59,-33.89,;11.93,-34.66,;11.93,-36.2,;13.26,-33.89,;18.6,-32.33,;18.6,-33.87,;17.27,-34.64,;17.28,-36.18,;18.62,-36.95,;18.61,-38.49,;17.28,-39.27,;17.28,-40.81,;15.95,-38.49,;15.95,-36.96,;19.94,-34.64,;21.28,-33.85,)|

BDBM50378231

CCCN[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:7.10,wD:4.3,(-5.06,-9.09,;-3.73,-8.32,;-3.73,-6.78,;-2.39,-6.01,;-2.39,-4.47,;-1.06,-3.7,;-1.05,-2.15,;-2.39,-1.39,;-3.72,-2.16,;-3.72,-3.7,;-2.4,.15,;-1.07,.93,;-1.07,2.47,;.26,3.24,;.25,4.78,;-1.09,5.54,;-2.42,4.77,;-2.41,3.22,;-3.75,2.44,;-5.08,3.22,;-5.08,4.76,;-3.75,5.53,;-6.41,2.45,;-7.75,3.22,;-9.08,2.45,;-9.08,.91,;-7.74,.14,;-6.41,.91,;1.59,2.48,;3.05,2.97,;3.96,1.74,;3.07,.49,;3.86,-.83,;3.11,-2.18,;5.4,-.81,;1.61,.95,;.27,.16,)|

BDBM50378221

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NC(C)=O)nc12 |r,wU:25.26,wD:28.33,(4.35,-1.61,;5.1,-.26,;6.64,-.24,;4.31,1.06,;5.2,2.31,;4.28,3.54,;2.83,3.05,;1.49,3.8,;1.49,5.34,;.15,6.11,;-1.18,5.33,;-1.18,3.78,;-2.51,3.01,;-3.85,3.78,;-3.84,5.33,;-2.52,6.1,;-5.18,3.01,;-6.51,3.79,;-7.84,3.02,;-7.85,1.48,;-6.5,.71,;-5.18,1.48,;.16,3.04,;.17,1.5,;-1.16,.72,;-1.16,-.82,;.18,-1.58,;.18,-3.13,;-1.15,-3.9,;-2.49,-3.13,;-2.49,-1.6,;-1.15,-5.44,;.18,-6.21,;1.51,-5.44,;.18,-7.75,;1.51,.73,;2.84,1.52,)|

BDBM50378214

CCC(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:8.11,wD:5.4,(22.59,-6.26,;21.26,-5.49,;19.93,-6.26,;19.93,-7.8,;18.59,-5.49,;18.59,-3.95,;19.93,-3.18,;19.93,-1.63,;18.59,-.86,;17.26,-1.64,;17.26,-3.18,;18.59,.68,;19.92,1.45,;19.91,2.99,;21.24,3.76,;21.23,5.3,;19.9,6.06,;18.57,5.29,;18.57,3.74,;17.24,2.97,;15.9,3.74,;15.9,5.28,;17.23,6.05,;14.57,2.97,;13.24,3.74,;11.9,2.97,;11.9,1.43,;13.24,.66,;14.57,1.43,;22.58,3,;24.03,3.49,;24.94,2.26,;24.05,1.01,;24.85,-.31,;24.1,-1.66,;26.39,-.29,;22.59,1.47,;21.25,.68,)|

BDBM50378215

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NS(C)(=O)=O)nc12 |r,wU:25.26,wD:28.33,(23.12,-18.44,;23.87,-17.09,;25.41,-17.07,;23.07,-15.77,;23.96,-14.53,;23.05,-13.29,;21.6,-13.78,;20.26,-13.03,;20.25,-11.49,;18.92,-10.72,;17.59,-11.5,;17.59,-13.05,;16.26,-13.82,;14.92,-13.05,;14.92,-11.5,;16.25,-10.73,;13.59,-13.82,;12.26,-13.04,;10.92,-13.81,;10.92,-15.35,;12.26,-16.12,;13.59,-15.35,;18.93,-13.8,;18.94,-15.33,;17.61,-16.11,;17.61,-17.65,;18.95,-18.42,;18.95,-19.96,;17.61,-20.73,;16.28,-19.96,;16.28,-18.43,;17.61,-22.27,;18.95,-23.04,;20.27,-23.81,;19.72,-21.71,;18.19,-24.38,;20.27,-16.1,;21.61,-15.31,)|

BDBM50378233

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(8.18,-27.85,;6.64,-27.87,;5.89,-29.22,;5.85,-26.55,;6.74,-25.31,;5.82,-24.07,;4.37,-24.56,;3.03,-23.81,;3.03,-22.27,;1.69,-21.5,;.36,-22.28,;.36,-23.83,;-.97,-24.6,;-2.31,-23.83,;-2.3,-22.28,;-.98,-21.51,;-3.64,-24.6,;-4.97,-23.82,;-6.3,-24.59,;-6.31,-26.13,;-7.64,-26.9,;-4.96,-26.9,;-3.64,-26.13,;1.7,-24.58,;1.71,-26.11,;.38,-26.89,;.38,-28.43,;1.72,-29.2,;1.72,-30.74,;.39,-31.51,;.39,-33.05,;-.95,-30.74,;-.95,-29.21,;3.05,-26.88,;4.38,-26.09,)|

BDBM50378219

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)c(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:30.32,(19.5,-13.9,;17.96,-13.92,;17.21,-15.27,;17.17,-12.6,;18.06,-11.35,;17.15,-10.12,;15.69,-10.61,;14.36,-9.85,;14.35,-8.31,;13.01,-7.55,;11.68,-8.32,;11.69,-9.87,;10.35,-10.65,;9.02,-9.87,;9.02,-8.33,;10.35,-7.56,;7.69,-10.64,;7.69,-12.18,;6.36,-12.95,;5.02,-12.18,;3.68,-12.95,;5.02,-10.64,;3.69,-9.87,;6.35,-9.87,;13.03,-10.62,;13.03,-12.16,;11.7,-12.94,;11.71,-14.48,;13.05,-15.24,;13.05,-16.79,;11.71,-17.56,;11.71,-19.1,;10.38,-16.79,;10.38,-15.25,;14.37,-12.93,;15.71,-12.14,)|

BDBM50378234

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCCN)nc12

BDBM50378222

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NC(=O)CC3CC3)nc12 |r,wU:25.26,wD:28.33,(3.88,-17.86,;4.63,-16.51,;6.17,-16.49,;3.84,-15.19,;4.73,-13.94,;3.82,-12.71,;2.36,-13.2,;1.03,-12.44,;1.02,-10.9,;-.32,-10.14,;-1.65,-10.91,;-1.64,-12.46,;-2.98,-13.24,;-4.31,-12.46,;-4.31,-10.92,;-2.98,-10.15,;-5.64,-13.23,;-6.98,-12.46,;-8.31,-13.23,;-8.31,-14.77,;-6.97,-15.54,;-5.64,-14.77,;-.3,-13.21,;-.3,-14.75,;-1.63,-15.53,;-1.62,-17.07,;-.28,-17.83,;-.29,-19.38,;-1.62,-20.15,;-2.95,-19.38,;-2.95,-17.84,;-1.62,-21.69,;-.29,-22.46,;-.29,-24,;1.05,-21.69,;2.38,-22.46,;3.15,-23.78,;3.92,-22.45,;1.04,-15.52,;2.38,-14.73,)|

BDBM50378241

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(7.28,.43,;5.74,.41,;4.99,-.94,;4.94,1.73,;5.83,2.97,;4.92,4.21,;3.47,3.72,;2.13,4.47,;2.12,6.01,;.79,6.78,;-.54,6,;-.54,4.45,;-1.87,3.68,;-3.21,4.45,;-3.21,6,;-1.88,6.77,;-4.54,3.68,;-5.87,4.46,;-7.21,3.69,;-7.21,2.15,;-8.54,1.38,;-5.87,1.38,;-4.54,2.15,;.8,3.7,;.81,2.17,;-.52,1.39,;-.52,-.15,;.82,-.92,;.82,-2.46,;-.52,-3.23,;-.52,-4.77,;-1.85,-2.46,;-1.85,-.93,;2.14,1.4,;3.48,2.19,)|

BDBM50378206

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NC3CCCC(N)C3)nc12

BDBM50378220

CCCCN[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:8.11,wD:5.4,(16.08,-9.64,;16.08,-8.1,;17.41,-7.33,;17.41,-5.79,;18.75,-5.02,;18.75,-3.48,;20.08,-2.71,;20.09,-1.16,;18.75,-.4,;17.42,-1.18,;17.42,-2.71,;18.74,1.14,;20.07,1.92,;20.07,3.46,;21.4,4.22,;21.39,5.76,;20.05,6.53,;18.72,5.75,;18.73,4.2,;17.39,3.43,;16.06,4.2,;16.06,5.75,;17.39,6.52,;14.73,3.43,;13.39,4.21,;12.06,3.44,;12.06,1.9,;13.4,1.13,;14.73,1.9,;22.73,3.47,;24.19,3.96,;25.1,2.73,;24.21,1.48,;25,.16,;24.25,-1.19,;26.54,.18,;22.75,1.94,;21.41,1.15,)|

BDBM50378239

Cn1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(17.16,-33.42,;16.37,-32.1,;17.26,-30.85,;16.35,-29.62,;14.89,-30.11,;13.56,-29.35,;13.55,-27.81,;12.21,-27.05,;10.88,-27.82,;10.89,-29.37,;9.55,-30.14,;8.22,-29.37,;8.22,-27.83,;9.55,-27.06,;6.89,-30.14,;5.55,-29.37,;4.22,-30.14,;4.22,-31.68,;5.56,-32.45,;6.89,-31.68,;12.23,-30.12,;12.23,-31.66,;10.9,-32.43,;10.91,-33.97,;12.25,-34.74,;12.24,-36.29,;10.91,-37.06,;10.91,-38.6,;9.58,-36.29,;9.58,-34.75,;13.57,-32.43,;14.91,-31.64,)|

BDBM50378240

CC(C)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(6.21,-31.57,;4.67,-31.59,;3.92,-32.94,;3.88,-30.27,;4.77,-29.02,;3.86,-27.79,;2.4,-28.28,;1.06,-27.52,;1.06,-25.98,;-.28,-25.22,;-1.61,-25.99,;-2.95,-25.23,;-2.94,-23.69,;-4.28,-22.93,;-5.61,-23.7,;-5.6,-25.25,;-4.26,-26.01,;-6.96,-22.94,;-6.96,-21.4,;-8.3,-20.64,;-9.63,-21.42,;-9.62,-22.96,;-8.28,-23.72,;-.26,-28.29,;-.26,-29.83,;-1.59,-30.61,;-1.59,-32.15,;-.25,-32.91,;-.25,-34.46,;-1.58,-35.23,;-1.58,-36.77,;-2.91,-34.46,;-2.92,-32.92,;1.08,-30.6,;2.42,-29.81,)|

BDBM50378237

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3Cl)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(8.16,-44.95,;6.62,-44.98,;5.87,-46.32,;5.83,-43.66,;6.72,-42.41,;5.81,-41.18,;4.35,-41.66,;3.02,-40.91,;3.01,-39.37,;1.67,-38.6,;.34,-39.38,;.35,-40.93,;-.99,-41.7,;-2.32,-40.93,;-2.32,-39.39,;-.99,-38.62,;-3.65,-41.7,;-3.65,-43.23,;-4.98,-44.01,;-6.32,-43.24,;-6.32,-41.69,;-4.99,-40.93,;-4.98,-39.39,;1.69,-41.68,;1.69,-43.22,;.36,-43.99,;.37,-45.53,;1.71,-46.3,;1.71,-47.84,;.37,-48.62,;.37,-50.16,;-.96,-47.84,;-.96,-46.31,;3.03,-43.98,;4.37,-43.2,)|

BDBM50378238

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(25.97,-13.34,;24.43,-13.36,;23.69,-14.71,;23.64,-12.04,;24.53,-10.79,;23.62,-9.56,;22.16,-10.05,;20.83,-9.29,;20.82,-7.75,;19.49,-6.99,;18.15,-7.76,;18.16,-9.31,;16.82,-10.09,;15.49,-9.31,;15.49,-7.77,;16.82,-7,;14.16,-10.08,;14.16,-11.62,;12.83,-12.39,;11.49,-11.62,;11.49,-10.08,;10.16,-9.31,;12.82,-9.31,;19.5,-10.06,;19.5,-11.6,;18.17,-12.38,;18.18,-13.92,;19.52,-14.68,;19.52,-16.23,;18.18,-17,;18.18,-18.54,;16.85,-16.23,;16.85,-14.69,;20.84,-12.37,;22.18,-11.58,)|

BDBM50378235

CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM50378242

C[C@H](N)CNc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM50378207

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r|

BDBM50378236

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NC3(CO)CCCC3)nc12

BDBM50378223

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCCCN)nc12

BDBM50378244

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCCCCN)nc12

BDBM50378245

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(nc12)N1CCC(N)C1

BDBM50378243

CCN[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:6.9,wD:3.2,(19.82,-48.64,;19.83,-47.1,;21.16,-46.33,;21.16,-44.79,;22.5,-44.02,;22.5,-42.47,;21.16,-41.71,;19.83,-42.48,;19.83,-44.02,;21.15,-40.17,;22.48,-39.39,;22.48,-37.85,;23.81,-37.08,;23.8,-35.54,;22.46,-34.78,;21.13,-35.55,;21.14,-37.1,;19.8,-37.88,;18.47,-37.1,;18.47,-35.56,;19.8,-34.79,;17.14,-37.87,;15.8,-37.1,;14.47,-37.87,;14.47,-39.41,;15.81,-40.18,;17.14,-39.41,;25.14,-37.84,;26.6,-37.35,;27.51,-38.58,;26.62,-39.83,;27.41,-41.15,;26.66,-42.5,;28.95,-41.13,;25.16,-39.37,;23.82,-40.16,)|

BDBM50003691

CC(C)n1cnc2c(NCc3cnc(s3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12

BDBM50378292

CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(46.25,-43.57,;47.27,-42.41,;48.78,-42.72,;46.78,-40.95,;47.68,-39.7,;46.76,-38.47,;45.31,-38.95,;43.97,-38.2,;43.97,-36.66,;42.63,-35.89,;41.3,-36.67,;39.97,-35.91,;38.64,-36.68,;38.65,-38.22,;39.99,-38.99,;41.32,-38.21,;37.31,-39.01,;35.9,-38.39,;34.88,-39.54,;35.66,-40.87,;37.16,-40.54,;42.64,-38.97,;42.65,-40.51,;41.32,-41.29,;41.33,-42.83,;42.66,-43.59,;42.66,-45.13,;41.32,-45.91,;41.32,-47.45,;39.99,-45.13,;39.99,-43.6,;43.99,-41.28,;45.32,-40.49,)|

BDBM50378290

CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(29.87,-.79,;30.89,.36,;32.4,.06,;30.4,1.83,;31.3,3.08,;30.38,4.31,;28.93,3.82,;27.59,4.58,;27.59,6.12,;26.25,6.88,;24.92,6.11,;24.92,4.56,;23.59,3.79,;22.26,4.56,;22.25,6.09,;23.57,6.87,;20.93,3.78,;20.94,2.25,;19.61,1.47,;18.27,2.23,;18.26,3.78,;16.92,4.54,;19.59,4.55,;26.26,3.81,;26.27,2.27,;24.94,1.49,;24.95,-.05,;26.28,-.81,;26.28,-2.35,;24.94,-3.13,;24.94,-4.67,;23.61,-2.36,;23.61,-.82,;27.61,1.5,;28.94,2.29,)|

BDBM50378288

CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.81,-30.86,;15.83,-29.71,;17.34,-30.01,;15.34,-28.25,;16.23,-27,;15.32,-25.76,;13.86,-26.25,;12.53,-25.49,;12.52,-23.95,;11.18,-23.19,;9.85,-23.96,;8.52,-23.2,;7.19,-23.98,;7.2,-25.52,;8.55,-26.28,;9.87,-25.5,;5.88,-26.3,;5.89,-27.83,;4.57,-28.61,;3.22,-27.85,;3.21,-26.31,;4.54,-25.53,;11.2,-26.26,;11.2,-27.8,;9.87,-28.58,;9.88,-30.12,;11.21,-30.88,;11.21,-32.43,;9.88,-33.2,;9.88,-34.74,;8.54,-32.43,;8.54,-30.89,;12.54,-28.57,;13.88,-27.78,)|

BDBM50378297

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(15.61,-15.74,;16.64,-14.59,;18.14,-14.9,;16.15,-13.13,;17.04,-11.88,;16.13,-10.65,;14.67,-11.13,;13.34,-10.38,;13.33,-8.84,;11.99,-8.07,;10.66,-8.85,;10.67,-10.39,;9.34,-11.17,;8,-10.4,;7.99,-8.86,;9.32,-8.09,;6.67,-11.18,;6.52,-12.71,;5.01,-13.04,;4.24,-11.7,;5.26,-10.56,;12,-11.15,;12.01,-12.69,;10.68,-13.47,;10.69,-15.01,;12.02,-15.77,;12.02,-17.31,;10.69,-18.08,;10.69,-19.62,;9.35,-17.31,;9.35,-15.78,;13.35,-13.45,;14.68,-12.67,)|

BDBM50378289

CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(1.05,-1.82,;2.08,-.67,;3.58,-.98,;1.59,.79,;2.48,2.04,;1.57,3.28,;.11,2.79,;-1.22,3.55,;-1.23,5.09,;-2.57,5.85,;-3.9,5.07,;-3.89,3.53,;-5.22,2.76,;-6.56,3.53,;-6.57,5.06,;-5.24,5.84,;-7.89,2.75,;-9.23,3.52,;-10.56,2.74,;-10.55,1.2,;-9.2,.44,;-7.88,1.21,;-2.56,2.77,;-2.55,1.23,;-3.88,.46,;-3.87,-1.08,;-2.54,-1.84,;-2.54,-3.39,;-3.87,-4.16,;-3.87,-5.7,;-5.21,-3.39,;-5.21,-1.86,;-1.21,.47,;.12,1.25,)|

BDBM50378304

CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.11,-31.85,;1.13,-30.7,;2.64,-31.01,;.64,-29.24,;1.53,-27.99,;.62,-26.75,;-.84,-27.24,;-2.17,-26.48,;-2.18,-24.94,;-3.52,-24.18,;-4.85,-24.96,;-6.18,-24.19,;-7.51,-24.97,;-7.5,-26.51,;-6.15,-27.27,;-4.83,-26.49,;-8.83,-27.29,;-8.98,-28.83,;-10.49,-29.16,;-11.27,-27.83,;-10.24,-26.68,;-3.5,-27.26,;-3.5,-28.8,;-4.83,-29.57,;-4.82,-31.11,;-3.49,-31.87,;-3.49,-33.42,;-4.82,-34.19,;-4.82,-35.73,;-6.16,-33.42,;-6.16,-31.89,;-2.16,-29.56,;-.83,-28.78,)|

BDBM50378305

CC(C)n1cnc2c(NCc3ccc(s3)-c3nc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(1.97,-46.51,;2.99,-45.36,;4.49,-45.66,;2.5,-43.9,;3.39,-42.65,;2.48,-41.41,;1.02,-41.9,;-.31,-41.14,;-.32,-39.6,;-1.66,-38.84,;-2.99,-39.61,;-3.15,-41.15,;-4.65,-41.48,;-5.43,-40.15,;-4.4,-39,;-6.97,-40.15,;-7.87,-38.91,;-9.34,-39.39,;-10.58,-38.49,;-9.33,-40.93,;-7.87,-41.4,;-1.65,-41.91,;-1.64,-43.45,;-2.97,-44.23,;-2.96,-45.77,;-1.63,-46.53,;-1.63,-48.08,;-2.96,-48.85,;-2.96,-50.39,;-4.3,-48.08,;-4.3,-46.54,;-.3,-44.22,;1.03,-43.43,)|

BDBM50378306

CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(29.19,-28.97,;30.21,-27.82,;31.72,-28.13,;29.72,-26.36,;30.61,-25.11,;29.7,-23.88,;28.24,-24.36,;26.91,-23.61,;26.9,-22.07,;25.56,-21.3,;24.23,-22.08,;24.24,-23.62,;22.91,-24.4,;21.57,-23.63,;21.56,-22.09,;22.89,-21.32,;20.24,-24.41,;20.09,-25.94,;18.58,-26.27,;17.81,-24.93,;18.83,-23.79,;25.58,-24.38,;25.58,-25.92,;24.25,-26.7,;24.26,-28.24,;25.59,-29,;25.59,-30.54,;24.26,-31.31,;24.26,-32.85,;22.92,-30.54,;22.92,-29.01,;26.92,-26.68,;28.26,-25.9,)|

BDBM50378293

CC(C)n1cnc2c(NCc3ccc(s3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(29.82,-30.94,;30.84,-29.79,;32.35,-30.1,;30.35,-28.33,;31.24,-27.08,;30.33,-25.84,;28.87,-26.33,;27.54,-25.57,;27.53,-24.03,;26.19,-23.27,;24.86,-24.05,;24.71,-25.59,;23.2,-25.91,;22.43,-24.58,;23.45,-23.43,;20.89,-24.59,;19.98,-25.84,;18.52,-25.36,;18.52,-23.82,;19.98,-23.35,;26.21,-26.35,;26.21,-27.89,;24.88,-28.66,;24.89,-30.2,;26.22,-30.96,;26.22,-32.51,;24.89,-33.28,;24.89,-34.82,;23.55,-32.51,;23.55,-30.98,;27.55,-28.65,;28.89,-27.87,)|

BDBM50378298

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(15.33,-28.96,;16.35,-27.81,;17.86,-28.11,;15.86,-26.35,;16.75,-25.1,;15.84,-23.86,;14.38,-24.35,;13.05,-23.59,;13.04,-22.05,;11.7,-21.29,;10.37,-22.06,;10.38,-23.61,;9.05,-24.38,;7.71,-23.61,;7.7,-22.08,;9.03,-21.3,;6.38,-24.39,;6.23,-25.92,;4.72,-26.25,;3.95,-24.92,;4.97,-23.77,;11.72,-24.37,;11.72,-25.9,;10.39,-26.68,;10.4,-28.22,;11.73,-28.98,;11.73,-30.53,;10.4,-31.3,;10.4,-32.84,;9.06,-30.53,;9.06,-28.99,;13.06,-26.67,;14.4,-25.88,)|

BDBM50378300

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.73,-2.5,;31.76,-1.35,;33.26,-1.65,;31.27,.11,;32.16,1.36,;31.25,2.6,;29.79,2.11,;28.46,2.87,;28.45,4.41,;27.11,5.17,;25.78,4.4,;25.79,2.85,;24.46,2.08,;23.12,2.85,;23.11,4.38,;24.44,5.16,;21.79,2.08,;21.8,.53,;20.46,-.25,;19.13,.52,;19.13,2.07,;20.46,2.84,;27.12,2.09,;27.13,.56,;25.8,-.22,;25.81,-1.76,;27.14,-2.52,;27.14,-4.07,;25.81,-4.84,;25.81,-6.38,;24.47,-4.07,;24.47,-2.53,;28.47,-.21,;29.8,.58,)|

BDBM50378309

CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.7,-44.37,;1.73,-43.22,;3.23,-43.53,;1.24,-41.76,;2.13,-40.51,;1.22,-39.28,;-.24,-39.76,;-1.57,-39.01,;-1.58,-37.47,;-2.92,-36.7,;-4.25,-37.48,;-4.24,-39.02,;-5.57,-39.8,;-6.91,-39.03,;-6.92,-37.49,;-5.59,-36.72,;-8.24,-39.81,;-9.65,-39.19,;-10.67,-40.33,;-9.9,-41.67,;-8.39,-41.34,;-2.91,-39.78,;-2.9,-41.32,;-4.23,-42.1,;-4.22,-43.64,;-2.89,-44.4,;-2.89,-45.94,;-4.22,-46.71,;-4.22,-48.25,;-5.56,-45.94,;-5.56,-44.41,;-1.56,-42.08,;-.23,-41.3,)|

BDBM50378302

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(22.14,-3.25,;23.16,-2.1,;24.67,-2.41,;22.68,-.64,;23.57,.61,;22.65,1.84,;21.2,1.36,;19.86,2.11,;19.86,3.66,;18.52,4.42,;17.19,3.64,;17.03,2.1,;15.53,1.77,;14.75,3.1,;15.77,4.25,;13.21,3.1,;12.31,1.86,;10.84,2.34,;10.84,3.88,;12.31,4.36,;18.53,1.34,;18.54,-.2,;17.21,-.97,;17.22,-2.51,;18.55,-3.28,;18.55,-4.82,;17.21,-5.59,;17.21,-7.13,;15.88,-4.82,;15.88,-3.29,;19.88,-.96,;21.21,-.18,)|

BDBM50378303

CC(C)n1cnc2c(NCc3ccc(s3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(23.68,-16.97,;24.7,-15.81,;26.21,-16.12,;24.21,-14.35,;25.11,-13.1,;24.19,-11.87,;22.74,-12.35,;21.4,-11.6,;21.39,-10.06,;20.06,-9.29,;18.73,-10.07,;18.57,-11.61,;17.07,-11.94,;16.29,-10.61,;17.31,-9.46,;14.75,-10.61,;13.98,-11.94,;12.46,-11.95,;11.68,-10.61,;12.44,-9.28,;13.98,-9.28,;20.07,-12.37,;20.08,-13.91,;18.75,-14.69,;18.75,-16.23,;20.08,-16.99,;20.09,-18.53,;18.75,-19.31,;18.75,-20.85,;17.42,-18.53,;17.41,-17,;21.42,-14.68,;22.75,-13.89,)|

BDBM50378296

CC(C)n1cnc2c(NCc3csc(c3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(28.27,-15.16,;29.29,-14.01,;30.8,-14.32,;28.8,-12.55,;29.7,-11.3,;28.78,-10.06,;27.33,-10.55,;25.99,-9.79,;25.99,-8.25,;24.65,-7.49,;23.32,-8.27,;21.91,-7.66,;20.89,-8.81,;21.66,-10.14,;23.17,-9.81,;20.91,-11.47,;19.37,-11.49,;18.62,-12.83,;19.4,-14.16,;20.95,-14.13,;21.7,-12.79,;24.66,-10.57,;24.67,-12.11,;23.34,-12.88,;23.34,-14.42,;24.68,-15.18,;24.68,-16.73,;23.34,-17.5,;23.34,-19.04,;22.01,-16.73,;22,-15.2,;26.01,-12.87,;27.34,-12.09,)|

BDBM50378299

CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.5,-30.58,;31.52,-29.42,;33.03,-29.73,;31.03,-27.96,;31.93,-26.71,;31.01,-25.48,;29.56,-25.97,;28.22,-25.21,;28.22,-23.67,;26.88,-22.91,;25.55,-23.68,;25.39,-25.22,;23.89,-25.55,;23.11,-24.22,;24.13,-23.07,;21.57,-24.22,;20.81,-25.56,;19.28,-25.56,;18.5,-24.23,;19.26,-22.89,;18.49,-21.56,;20.8,-22.89,;26.89,-25.98,;26.9,-27.52,;25.57,-28.3,;25.58,-29.84,;26.91,-30.6,;26.91,-32.14,;25.57,-32.92,;25.57,-34.46,;24.24,-32.15,;24.24,-30.61,;28.24,-28.29,;29.57,-27.5,)|

BDBM50378294

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(.84,-15.51,;1.87,-14.36,;3.37,-14.67,;1.38,-12.9,;2.27,-11.65,;1.36,-10.41,;-.1,-10.9,;-1.43,-10.14,;-1.44,-8.6,;-2.78,-7.84,;-4.11,-8.62,;-4.1,-10.16,;-5.43,-10.93,;-6.77,-10.16,;-6.78,-8.63,;-5.45,-7.85,;-8.1,-10.94,;-8.09,-12.49,;-9.43,-13.26,;-10.76,-12.49,;-10.76,-10.94,;-9.43,-10.17,;-2.77,-10.92,;-2.76,-12.46,;-4.09,-13.23,;-4.08,-14.77,;-2.75,-15.53,;-2.75,-17.08,;-4.08,-17.85,;-4.08,-19.39,;-5.42,-17.08,;-5.42,-15.55,;-1.42,-13.22,;-.09,-12.44,)|

BDBM50378307

CC(C)n1cnc2c(NCc3coc(c3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(-.19,-30.09,;.83,-28.94,;2.34,-29.25,;.34,-27.48,;1.24,-26.23,;.32,-25,;-1.13,-25.48,;-2.47,-24.73,;-2.48,-23.19,;-3.81,-22.42,;-5.14,-23.2,;-6.55,-22.59,;-7.57,-23.74,;-6.8,-25.07,;-5.29,-24.74,;-7.55,-26.41,;-9.09,-26.42,;-9.84,-27.76,;-9.06,-29.09,;-7.51,-29.07,;-6.76,-27.72,;-3.8,-25.5,;-3.79,-27.04,;-5.12,-27.82,;-5.12,-29.36,;-3.79,-30.12,;-3.78,-31.66,;-5.12,-32.43,;-5.12,-33.97,;-6.45,-31.66,;-6.46,-30.13,;-2.45,-27.8,;-1.12,-27.02,)|

BDBM50378301

COc1cccc(c1)-c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C(C)C)s1 |r,wU:18.18,wD:21.22,(17.8,-37.74,;17.03,-39.08,;17.81,-40.41,;17.05,-41.74,;17.82,-43.08,;19.35,-43.07,;20.12,-41.74,;19.34,-40.4,;21.66,-41.73,;22.43,-43.06,;23.94,-42.74,;24.09,-41.2,;25.42,-40.42,;26.76,-41.18,;26.77,-42.72,;25.44,-43.5,;25.44,-45.04,;24.11,-45.81,;24.12,-47.35,;25.45,-48.11,;25.45,-49.66,;24.12,-50.43,;24.12,-51.97,;22.78,-49.66,;22.78,-48.13,;26.78,-45.8,;28.12,-45.02,;29.58,-45.48,;30.47,-44.23,;29.56,-42.99,;28.1,-43.48,;30.07,-46.94,;29.05,-48.09,;31.58,-47.25,;22.68,-40.58,)|

BDBM50378313

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(1.56,-4.19,;2.58,-3.03,;4.09,-3.34,;2.09,-1.57,;2.99,-.32,;2.07,.91,;.62,.42,;-.72,1.18,;-.73,2.72,;-2.06,3.48,;-3.39,2.71,;-3.55,1.17,;-5.05,.84,;-5.83,2.17,;-4.81,3.32,;-7.37,2.17,;-8.27,.93,;-9.74,1.4,;-9.74,2.94,;-8.28,3.42,;-2.05,.41,;-2.04,-1.13,;-3.37,-1.91,;-3.37,-3.45,;-2.04,-4.21,;-2.03,-5.75,;-3.37,-6.53,;-3.37,-8.07,;-4.7,-5.76,;-4.71,-4.22,;-.7,-1.9,;.63,-1.11,)|

BDBM50378295

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccc3F)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(16.24,-30.97,;17.26,-29.82,;18.77,-30.13,;16.77,-28.36,;17.66,-27.11,;16.75,-25.88,;15.29,-26.36,;13.96,-25.61,;13.95,-24.07,;12.61,-23.3,;11.28,-24.08,;11.13,-25.62,;9.62,-25.95,;8.85,-24.62,;9.87,-23.47,;7.31,-24.62,;6.54,-25.95,;5.01,-25.96,;4.24,-24.62,;5,-23.29,;6.53,-23.29,;7.3,-21.95,;12.63,-26.38,;12.63,-27.92,;11.3,-28.69,;11.31,-30.23,;12.64,-30.99,;12.64,-32.54,;11.31,-33.31,;11.31,-34.85,;9.97,-32.54,;9.97,-31.01,;13.97,-28.68,;15.31,-27.9,)|

BDBM50378310

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.74,-43.79,;15.76,-42.64,;17.27,-42.95,;15.27,-41.18,;16.16,-39.93,;15.25,-38.69,;13.79,-39.18,;12.46,-38.42,;12.45,-36.88,;11.11,-36.12,;9.78,-36.9,;9.79,-38.44,;8.46,-39.21,;7.12,-38.44,;7.11,-36.91,;8.44,-36.13,;5.79,-39.22,;5.64,-40.76,;4.13,-41.08,;3.51,-42.49,;3.36,-39.75,;4.38,-38.6,;11.13,-39.2,;11.13,-40.74,;9.8,-41.51,;9.81,-43.05,;11.14,-43.81,;11.14,-45.36,;9.81,-46.13,;9.81,-47.67,;8.47,-45.36,;8.47,-43.83,;12.47,-41.5,;13.8,-40.72,)|

BDBM50378317

CC(C)n1cnc2c(NCc3ccc(cn3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.3,-1.19,;16.32,-.04,;17.83,-.35,;15.84,1.42,;16.73,2.67,;15.82,3.91,;14.36,3.42,;13.03,4.18,;13.02,5.72,;11.68,6.48,;10.35,5.7,;10.36,4.16,;9.03,3.39,;7.69,4.16,;7.68,5.69,;9,6.47,;6.36,3.38,;5.02,4.15,;3.69,3.37,;3.7,1.83,;5.04,1.07,;6.37,1.84,;11.69,3.4,;11.7,1.86,;10.37,1.09,;10.38,-.45,;11.71,-1.21,;11.71,-2.76,;10.37,-3.53,;10.38,-5.07,;9.04,-2.76,;9.04,-1.23,;13.04,1.1,;14.37,1.88,)|

BDBM50378316

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(1.15,-48.84,;2.17,-47.69,;3.68,-47.99,;1.68,-46.23,;2.57,-44.98,;1.66,-43.74,;.2,-44.23,;-1.13,-43.47,;-1.14,-41.93,;-2.48,-41.17,;-3.8,-41.94,;-3.96,-43.48,;-5.47,-43.81,;-6.24,-42.48,;-5.22,-41.33,;-7.78,-42.48,;-8.56,-41.15,;-10.09,-41.15,;-10.85,-42.49,;-12.39,-42.49,;-10.08,-43.82,;-8.55,-43.82,;-2.46,-44.25,;-2.45,-45.78,;-3.78,-46.56,;-3.78,-48.1,;-2.45,-48.86,;-2.45,-50.41,;-3.78,-51.18,;-3.78,-52.72,;-5.11,-50.41,;-5.12,-48.87,;-1.12,-46.55,;.22,-45.76,)|

BDBM50378311

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.18,-42.63,;31.2,-41.48,;32.71,-41.79,;30.72,-40.02,;31.61,-38.77,;30.7,-37.53,;29.24,-38.02,;27.9,-37.26,;27.9,-35.72,;26.56,-34.96,;25.23,-35.74,;25.23,-37.28,;23.9,-38.05,;22.57,-37.28,;22.56,-35.75,;23.88,-34.97,;21.24,-38.06,;21.08,-39.6,;19.58,-39.92,;18.8,-38.59,;17.27,-38.44,;19.83,-37.44,;26.57,-38.04,;26.58,-39.58,;25.25,-40.35,;25.26,-41.89,;26.59,-42.65,;26.59,-44.2,;25.25,-44.97,;25.26,-46.51,;23.92,-44.2,;23.92,-42.67,;27.92,-40.34,;29.25,-39.56,)|

BDBM50378314

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccoc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(3.43,-18.99,;4.46,-17.84,;5.96,-18.14,;3.97,-16.37,;4.86,-15.12,;3.95,-13.89,;2.49,-14.38,;1.16,-13.62,;1.15,-12.08,;-.19,-11.32,;-1.52,-12.09,;-1.68,-13.63,;-3.18,-13.96,;-3.96,-12.63,;-2.93,-11.48,;-5.5,-12.63,;-6.4,-13.87,;-7.86,-13.4,;-7.86,-11.86,;-6.4,-11.38,;-.18,-14.39,;-.17,-15.93,;-1.5,-16.71,;-1.49,-18.25,;-.16,-19.01,;-.16,-20.55,;-1.49,-21.33,;-1.49,-22.87,;-2.83,-20.56,;-2.83,-19.02,;1.17,-16.7,;2.5,-15.91,)|

BDBM50378318

CC(C)n1cnc2c(NCc3csc(n3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(14.52,-15.85,;15.54,-14.7,;17.05,-15.01,;15.05,-13.24,;15.94,-11.99,;15.03,-10.76,;13.57,-11.24,;12.24,-10.49,;12.23,-8.95,;10.89,-8.18,;9.57,-8.96,;8.16,-8.35,;7.13,-9.5,;7.91,-10.83,;9.42,-10.5,;7.16,-12.16,;5.62,-12.18,;4.86,-13.52,;5.65,-14.85,;7.2,-14.82,;7.95,-13.48,;10.91,-11.26,;10.92,-12.8,;9.59,-13.57,;9.59,-15.11,;10.92,-15.87,;10.92,-17.42,;9.59,-18.19,;9.59,-19.73,;8.26,-17.42,;8.25,-15.89,;12.25,-13.56,;13.59,-12.78,)|

BDBM50378312

CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.41,-48.44,;16.43,-47.29,;17.94,-47.6,;15.95,-45.83,;16.84,-44.58,;15.93,-43.34,;14.47,-43.83,;13.13,-43.07,;13.13,-41.53,;11.79,-40.77,;10.46,-41.55,;10.3,-43.09,;8.8,-43.41,;8.02,-42.08,;9.05,-40.93,;6.48,-42.09,;5.72,-43.42,;4.19,-43.43,;3.42,-42.09,;4.17,-40.76,;3.4,-39.43,;5.71,-40.75,;11.8,-43.85,;11.81,-45.39,;10.48,-46.16,;10.49,-47.7,;11.82,-48.46,;11.82,-50.01,;10.48,-50.78,;10.49,-52.32,;9.15,-50.01,;9.15,-48.48,;13.15,-46.15,;14.48,-45.37,)|

BDBM50378319

CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(30.87,-45.55,;31.89,-44.4,;33.4,-44.7,;31.4,-42.94,;32.29,-41.69,;31.38,-40.45,;29.92,-40.94,;28.59,-40.18,;28.58,-38.64,;27.24,-37.88,;25.91,-38.65,;24.58,-37.89,;23.25,-38.67,;23.26,-40.21,;24.61,-40.97,;25.93,-40.19,;21.93,-40.99,;21.78,-42.52,;20.27,-42.85,;19.49,-41.52,;20.52,-40.37,;27.26,-40.96,;27.26,-42.49,;25.93,-43.27,;25.94,-44.81,;27.27,-45.57,;27.27,-47.12,;25.94,-47.89,;25.94,-49.43,;24.6,-47.12,;24.6,-45.58,;28.6,-43.26,;29.94,-42.47,)|

BDBM50378291

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(16.31,-45.59,;17.34,-44.44,;18.84,-44.74,;16.85,-42.97,;17.74,-41.72,;16.83,-40.49,;15.37,-40.98,;14.04,-40.22,;14.03,-38.68,;12.69,-37.92,;11.36,-38.69,;11.2,-40.23,;9.7,-40.56,;8.92,-39.23,;9.95,-38.08,;7.38,-39.23,;6.62,-37.9,;5.08,-37.9,;4.31,-39.23,;5.09,-40.57,;6.63,-40.56,;12.7,-40.99,;12.71,-42.53,;11.38,-43.31,;11.39,-44.85,;12.72,-45.61,;12.72,-47.15,;11.39,-47.93,;11.39,-49.47,;10.05,-47.16,;10.05,-45.62,;14.05,-43.3,;15.38,-42.51,)|

BDBM50378315

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(Cl)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(31.05,-15.64,;32.07,-14.49,;33.58,-14.8,;31.59,-13.03,;32.48,-11.78,;31.57,-10.55,;30.11,-11.03,;28.78,-10.28,;28.77,-8.74,;27.43,-7.97,;26.1,-8.75,;26.11,-10.29,;24.78,-11.06,;23.44,-10.3,;23.43,-8.76,;24.75,-7.98,;22.11,-11.08,;21.95,-12.61,;20.45,-12.93,;19.67,-11.6,;18.14,-11.45,;20.7,-10.46,;27.44,-11.05,;27.45,-12.59,;26.12,-13.36,;26.13,-14.9,;27.46,-15.66,;27.46,-17.21,;26.12,-17.98,;26.13,-19.52,;24.79,-17.21,;24.79,-15.68,;28.79,-13.35,;30.12,-12.57,)|

BDBM50378308

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.23,-29.29,;1.25,-28.14,;2.76,-28.45,;.76,-26.68,;1.66,-25.43,;.74,-24.2,;-.71,-24.68,;-2.05,-23.93,;-2.06,-22.39,;-3.39,-21.62,;-4.72,-22.4,;-4.72,-23.94,;-6.05,-24.71,;-7.38,-23.95,;-7.39,-22.41,;-6.07,-21.63,;-8.71,-24.73,;-8.87,-26.26,;-10.37,-26.58,;-11.15,-25.25,;-10.12,-24.11,;-3.38,-24.7,;-3.37,-26.24,;-4.7,-27.01,;-4.7,-28.55,;-3.37,-29.31,;-3.36,-30.86,;-4.7,-31.63,;-4.7,-33.17,;-6.03,-30.86,;-6.04,-29.33,;-2.03,-27,;-.7,-26.22,)|

BDBM8296

Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|

BDBM50300205

COc1cc2c3C(=O)NC(=O)c3cc(C)c2cc1OC

BDBM50378568

CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|

BDBM50027396

CCCNC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

BDBM50027392

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)Nc3cccc(F)c3)n[nH]c2C1(C)C

BDBM50027388

CC(C)(C)C(=O)N1Cc2c(NC(=O)C3CCNCC3)n[nH]c2C1(C)C

BDBM50027389

CN1CCC(CC1)C(=O)Nc1n[nH]c2c1CN(C(=O)C(C)(C)C)C2(C)C

BDBM50027428

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(cc3)C(F)(F)F)n[nH]c2C1(C)C

BDBM50027426

CC1(C)N(Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c12)C(=O)C1CCN(CC1)C1CC1

BDBM50027419

CC(=O)N1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

BDBM50378657

CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

BDBM50027418

CN1CCN(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

BDBM50027398

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)NCc3ccccc3)n[nH]c2C1(C)C

BDBM50027416

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3cccc(F)c3)n[nH]c2C1(C)C

BDBM50027404

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)c(F)c3)n[nH]c2C1(C)C

BDBM50027403

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)n[nH]c2C1(C)C

BDBM50027413

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(Cl)cc3)n[nH]c2C1(C)C

BDBM50027415

CN(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C(C)(C)C)C2(C)C

BDBM50027414

CC1(C)N(Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c12)C(=O)C1CCNCC1

BDBM50027417

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

BDBM50027421

CCN1CCC(CC1)C(=O)N1Cc2c(NC(=O)CC(C)C)n[nH]c2C1(C)C

BDBM50027420

CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(CC1)C1CC1)C2(C)C

BDBM50027395

CC(=O)N1CCN(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

BDBM50027394

CC1(C)N(Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c12)C(=O)N1CCN(CC1)c1ccccc1

BDBM50027390

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccccc3)n[nH]c2C1(C)C

BDBM50027402

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccncc3)n[nH]c2C1(C)C

BDBM50027430

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3cccs3)n[nH]c2C1(C)C

BDBM50027412

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc4ccccc4c3)n[nH]c2C1(C)C

BDBM50027411

OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

BDBM50027424

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)C3CC3)n[nH]c2C1(C)C

BDBM50027423

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)C3CCC3)n[nH]c2C1(C)C

BDBM50027427

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccsc3)n[nH]c2C1(C)C

BDBM50027425

CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccco3)n[nH]c2C1(C)C

BDBM50027397

CC1(C)N(Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c12)C(=O)N1CCN(CCO)CC1

BDBM50027429

CCN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

BDBM50307987

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C

BDBM50027400

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

BDBM50027399

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cccnc3)n[nH]c2C1(C)C

BDBM50027401

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3ccncc3)n[nH]c2C1(C)C

BDBM50321461

Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1

BDBM50321451

Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1

BDBM50321455

Cc1ccc(cc1)N(SC(Cl)(Cl)Cl)S(=O)(=O)c1cc(Cl)sc1Cl

BDBM50321446

Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F

BDBM50321441

Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1

BDBM50321447

FC(F)(F)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1

BDBM8269

c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl

BDBM50378828

BDBM50378817

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O |r|

BDBM50378815

[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|

BDBM50378816

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|

BDBM50378829

CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O |r|

BDBM50378830

[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(F)cc1)-[#6](-[#7])=O |r|

BDBM50329914

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

BDBM50329923

CN1CCCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50329924

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCC(CC4)N4CCCC4)nc3-c12

BDBM50329921

CCN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50329915

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12

BDBM50329917

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CC[N+](C)([O-])CC4)nc3-c12

BDBM50329919

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)[N+]4([O-])CC[N+](C)([O-])CC4)nc3-c12 |(40.62,-1.5,;41.66,-.36,;43.19,-.53,;43.83,.88,;45.36,.88,;46.14,-.45,;46.13,2.21,;42.69,1.92,;42.69,3.47,;41.34,4.25,;40,3.47,;38.67,4.24,;37.34,3.47,;37.34,1.92,;36,1.15,;36,-.38,;37.33,-1.15,;37.34,-2.68,;36,-3.46,;34.67,-2.69,;34.67,-1.15,;33.34,-.38,;32,-1.15,;30.67,-.38,;32,-2.69,;30.67,-1.9,;38.67,-3.45,;38.27,-1.95,;38.67,-4.98,;40,-5.75,;41.33,-4.98,;42.81,-5.38,;41.32,-6.52,;41.33,-3.44,;40,-2.67,;38.67,1.15,;40,1.92,;41.34,1.15,)|

BDBM50329925

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(c4-c3n2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(N)=O)c1

BDBM50329926

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(n[nH]c4C(N)=O)-c3n2)c1

BDBM50329918

COc1ccc(Cn2nc(C(N)=O)c3CCc4cnc(Nc5cc(ccc5OC(F)(F)F)N5CCNCC5)nc4-c23)cc1

BDBM50329913

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

BDBM50329927

CCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12

BDBM50329928

COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12

BDBM50329929

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

BDBM50329930

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)OC(C)(C)C)nc3-c12

BDBM50329931

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12

BDBM50329932

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12

BDBM50329916

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

BDBM50329920

CN1C(C)(C)CC(CC1(C)C)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50329934

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCNC5)ccc4OC(F)(F)F)nc3-c12

BDBM50329933

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)N4CCNCC4)nc3-c12

BDBM50329935

CN1CCCC1CCNc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50329922

CN1CCC(CC1)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

BDBM50379081

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

BDBM50379078

COc1cc(O)c2c(c1)\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,18|

BDBM50379085

C[C@@H]1C\C=C\[C@@H](O)[C@@H](O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:3,11|

BDBM50425009

CNc1nc(C)c(s1)-c1nc(Nc2cccc(CC(=O)N3CCCNCC3)c2)ncc1C#N

BDBM50425008

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N

BDBM2579

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

BDBM50425011

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N

BDBM50425010

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N

BDBM50425002

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCOCC2)ncc1C#N

BDBM50425000

CNc1nc(c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1)-c1ccccc1

BDBM50424999

CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1)-c1ccccc1

BDBM50425001

CC[C@@H](CO)Nc1nc(Cc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|

BDBM11324

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12 |r|

BDBM50425006

CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N

BDBM50425005

CNc1nc(C)c(s1)-c1nc(Nc2cccc(O)c2)ncc1C#N

BDBM50425004

CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1C#N

BDBM50425003

CNc1nc(C)c(s1)-c1nc(Nc2ccc(O)cc2)ncc1C#N

BDBM12028

c1cc(ccc1/N=N\c2c([nH]nc2N)N)O

BDBM50425007

CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)ncc1C#N

BDBM50425829

c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl

BDBM50425830

Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1

BDBM50425831

COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O

BDBM50425832

COc1ccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1OC

BDBM50425864

CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|

BDBM50425862

CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|

BDBM50425863

CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|

BDBM50425861

COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1

BDBM50425865

CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1

BDBM50428738

Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br

BDBM50428737

Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br

BDBM50431334

CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1

BDBM50431364

CCCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C

BDBM50431355

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C#N

BDBM50431356

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C#N

BDBM50431353

CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C#N

BDBM50431354

CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C#N

BDBM50431351

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1F

BDBM50431352

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCC2)ncc1C#N

BDBM50431349

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F

BDBM50431350

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1F

BDBM50431348

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1Cl

BDBM50431359

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl

BDBM50431357

CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C

BDBM50431358

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C

BDBM50431363

CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1

BDBM50431362

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1O

BDBM50431360

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F

BDBM50431361

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O

BDBM81430

CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1

BDBM50431346

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCN(CC2)C(C)=O)ncc1C#N

BDBM50431347

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1F

BDBM50431344

CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1

BDBM50431345

CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1

BDBM50431343

CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(O)c2)n1

BDBM50431342

CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1

BDBM50431340

CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F

BDBM50431341

CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1

BDBM50431338

CNc1ncc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1

BDBM50431339

CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F

BDBM50431336

CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1

BDBM50431337

CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1

BDBM50431335

CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1

BDBM50095952

NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|

BDBM24634

O=C(Nc1ccccc1)c1n[nH]c2ccccc12

BDBM50088360

c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O

BDBM50113282

CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F

BDBM50110176

CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC1CCCCC1 |t:1,4|

BDBM50110177

CC(Nc1cc(ccc1[N+]([O-])=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:19:20:23:27.18.26,19:18:21.20.25:23,1:18:21.20.25:23|

BDBM24627

c1ccc2c(c1)cn[nH]2

BDBM50113281

c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl

BDBM50113349

c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F

BDBM50110175

NS(=O)c1ccc(cc1)\N=N\c1ccc(O)[nH]c1=O

BDBM50113342

c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F

BDBM50130708

C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r|