SMILES for Procathepsin L

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)C2OC2C(O)=O)nn1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(C)(C)C)C(O)=O |r|

BDBM122499

CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122529

CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM50318715

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|

BDBM50318716

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|

BDBM50201260

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|

BDBM50069985

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|

BDBM50318718

CC(C)C[C@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(N)=O |r|

BDBM50318717

CC(C)C[C@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|

BDBM50491285

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O

BDBM50201213

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|

BDBM50109168

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO)C=O

BDBM50318710

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|

BDBM50451625

CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)N(C)N(C)C#N |r|

BDBM50554308

CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NC1(CC1)C#N |r|

BDBM50554307

CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NCC#N |r|

BDBM50591389

CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r|

BDBM50098576

CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1

BDBM50128957

CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCCNc1ccc(OCC2CCCC2)cc1

BDBM50128965

CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCCNc1ccc(OCc2ccccc2)cc1

BDBM19764

CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|

BDBM19765

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|

BDBM19780

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19781

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19776

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19777

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19772

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19773

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19769

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19778

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19779

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19774

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19775

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19770

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM19771

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM194225

CC(C)C[C@H](NC(=O)c1ccc(-c2csc(n2)N2CCN(C)CC2)c(F)c1)C(=O)N1C[C@@H](C#C)C2OCC(=O)C12 |r|

BDBM123099

CC(C)C[C@H](NC(=O)c1ccc(-c2csc(n2)N2CCN(C)CC2)c(F)c1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|

BDBM50119069

CC(C)C[C@H](NC(=O)c1ccc(CN)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO

BDBM50461256

CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r|

BDBM50271686

CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC#N |r|

BDBM50271688

CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|

BDBM50271682

CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC#N |r|

BDBM50271698

CC(C)C[C@H](NC(=O)c1ccc(F)cc1Cl)C(=O)NCC#N |r|

BDBM50461248

CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM50461260

CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r|

BDBM123097

CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|

BDBM123098

CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|

BDBM50335289

CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N |r|

BDBM50335287

CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)NCC#N |r|

BDBM19804

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O |r|

BDBM50002366

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1

BDBM50271681

CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCC#N |r|

BDBM19591

CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(Cl)ccc12 |r|

BDBM19592

CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(F)ccc12 |r|

BDBM19590

CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2ccccc12 |r|

BDBM19588

CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(Cl)cc1 |r|

BDBM19589

CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(F)cc1 |r|

BDBM19587

CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r|

BDBM50271697

CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)NCC#N |r|

BDBM50271696

CC(C)C[C@H](NC(=O)c1cccc(c1)C(C)(C)C)C(=O)NCC#N |r|

BDBM232239

CC(C)C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)C(=O)NCC#N |r|

BDBM50002400

CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1

BDBM50002398

CC(C)C[C@H](NC(=O)c1cccc2cccnc12)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1

BDBM50502834

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM19861

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|

BDBM50502820

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM50349208

CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)C(=O)c1ccccn1 |r|

BDBM50349198

CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|

BDBM50090643

CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C=O

BDBM50286441

CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

BDBM50173405

CC(C)C[C@H](NC(c1ccc(Br)cc1)C(F)(F)F)C(=O)NCC#N

BDBM19519

CC(C)C[C@H](NCC(F)(F)F)C(=O)NCC#N |r|

BDBM50560494

CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|

BDBM50560495

CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM50560499

CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM50560497

CC(C)C[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N |r|

BDBM50560489

CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM50560492

CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM50560496

CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|

BDBM50560498

CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM50560491

CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM50067597

CC(C)C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50560500

CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM50560493

CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NC1(CC1)C#N |r|

BDBM19522

CC(C)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM50271685

CC(C)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM50271714

CC(C)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19535

CC(C)C[C@H](N[C@@H](c1ccc(Oc2ccccc2)cc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19528

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cc(F)cc(F)c1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19529

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(C)cc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19527

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)c(F)c1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19526

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19543

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|

BDBM19544

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19531

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C#N)C(F)(F)F)C(=O)NCC#N |r|

BDBM19518

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r|

BDBM50233039

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1

BDBM50233037

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CCC1)C1CCC1

BDBM50233030

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)c1ccccc1 |w:30.31|

BDBM50233035

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C)(C)C#N

BDBM19491

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM19489

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|

BDBM50214537

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC(N)=O

BDBM50214540

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](C)C#N

BDBM50214542

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N

BDBM50214546

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

BDBM50233040

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C#N

BDBM19533

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|

BDBM19525

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(F)c1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19534

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|

BDBM19542

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc2[nH]cnc12)C(F)(F)F)C(=O)NCC#N |r|

BDBM50502832

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM19523

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM50502827

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM19524

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1F)C(F)(F)F)C(=O)NCC#N |r|

BDBM19537

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19538

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccsc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM50502833

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cncnc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM19540

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1nc(C)no1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19541

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ncccn1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19539

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1nccs1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19536

CC(C)C[C@H](N[C@@H](c1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM19521

CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM50502846

CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM50271713

CC(C)C[C@H](N[C@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N |r|

BDBM50502849

CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM50502831

CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM50502837

CC(C)C[C@H](N[C@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM50150532

CC(C)C[C@H](Nc1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N

BDBM50150525

CC(C)C[C@H](Nc1cccc(c1)-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N

BDBM50150524

CC(C)C[C@H](Nc1ccccc1-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N

BDBM50150528

CC(C)C[C@H](Nc1cscc1-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N

BDBM50150527

CC(C)C[C@H](Nc1cscc1Br)C(=O)NCC#N

BDBM19488

CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O

BDBM50119310

CC(C)N1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM50268620

CC(C)Oc1c(Br)cccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM138152

CC(C)Oc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=NNC(N)=S)c1ccc(OC(C)C)cc1 |w:23.25,11.12|

BDBM138151

CC(C)Oc1ccc(cc1)C(=O)c1cccc(c1)C(=NNC(N)=S)c1ccc(OC(C)C)cc1 |w:19.21|

BDBM50128817

CC(C)Oc1ccc(cc1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(OC(C)C)cc1

BDBM19682

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|

BDBM19669

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(C)cc1 |r|

BDBM19667

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1 |r|

BDBM19666

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1 |r|

BDBM19670

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(cc1)C(F)(F)F |r|

BDBM19671

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1cccc(c1)C(F)(F)F |r|

BDBM19665

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1 |r|

BDBM19672

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1C(F)(F)F |r|

BDBM19652

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r|

BDBM19646

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|

BDBM19655

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1 |r|

BDBM19662

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1 |r|

BDBM19661

CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r|

BDBM50137388

CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1

BDBM20085

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|

BDBM50335276

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|

BDBM50073850

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r|

BDBM50581379

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc[nH]c1=O)C=O |r|

BDBM674496

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc[nH]c1=O)C=O)c1ccccc1

BDBM50121031

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O

BDBM50318712

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(C)C)C(N)=O |r|

BDBM122498

CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122528

CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM50491323

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50137730

CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C

BDBM674497

CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc[nH]c1=O)C=O)c1ccccc1

BDBM50067604

CC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50331767

CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|

BDBM50331769

CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|

BDBM50331778

CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

BDBM50331768

CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|

BDBM50237033

CC(C)[C@H]1CC[C@H](CC1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N |r,wU:3.2,6.9,(23.11,-19.11,;21.81,-19.92,;21.86,-21.46,;20.45,-19.2,;19.14,-20.01,;17.77,-19.29,;17.73,-17.75,;19.03,-16.93,;20.39,-17.66,;16.36,-17.02,;15.05,-17.84,;15.11,-19.38,;16.46,-20.1,;16.52,-21.64,;15.21,-22.46,;14.95,-23.98,;13.42,-24.19,;12.75,-22.81,;13.85,-21.74,;13.8,-20.2,;16.31,-15.48,;17.61,-14.67,;17.56,-13.13,;16.2,-12.4,;14.89,-13.22,;14.95,-14.76,;13.64,-15.57,;18.88,-12.31,;20.17,-11.5,)|

BDBM37147

CC(C)c1ccc(C)cc1OCc1nc(no1)-c1nonc1N

BDBM59758

CC(C)c1ccc(NC(=O)C2CCCCC2C(O)=O)cc1

BDBM50388844

CC(C)c1ccc2SCCC(=NNC(N)=S)c2c1 |w:11.11|

BDBM50388862

CC(C)c1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:15.17|

BDBM50300779

CC(C)c1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM50400188

CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6|

BDBM55161

CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1

BDBM50263622

CC(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM50400195

CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18|

BDBM50400187

CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18|

BDBM50400190

CC(COc1ccccc1)N=Nc1nc(O)cs1 |w:10.10|

BDBM50233032

CC(F)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1

BDBM41152

CC(N(C)C)c1nnc(SCC(=O)NC(=O)NCc2ccco2)n1-c1ccc(Cl)cc1

BDBM41366

CC(NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2OCCOc2c1

BDBM50331554

CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)N(C)C

BDBM50331556

CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1

BDBM429100

CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O

BDBM41184

CC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(O)=O

BDBM60033

CC(Sc1nnc(Nc2ccc(C)cc2)s1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O

BDBM55146

CC1(C)C2(CN3CC1(CN(C2)C3c1ccc(O)c(O)c1)[N+]([O-])=O)[N+]([O-])=O |TLB:12:11:4:1.7.6,1:7:3.4.10:11,1:3:7.6.8:11,THB:8:7:4:9.10.11,12:11:3.4.10:7.6.8,23:3:7.6.8:11,(9.98,-4.95,;9.98,-3.41,;11.31,-4.18,;10.93,-2.01,;10.93,-.52,;9.65,.22,;8.58,-1.07,;8.58,-2.68,;7.07,-2.75,;8.36,-2.01,;9.65,-2.48,;8.36,-.52,;7.27,.57,;5.78,.17,;4.69,1.26,;5.09,2.74,;4,3.83,;6.58,3.14,;6.98,4.63,;7.67,2.05,;7.59,-3.86,;6.08,-3.59,;8.12,-5.31,;12.42,-2.41,;13.51,-1.32,;12.82,-3.9,)|

BDBM53620

CC1(C)CC2(CC(c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1

BDBM210845

CC1(C)CC2N(C1)CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:10|

BDBM103363

CC1(C)CCC(CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r|

BDBM50273217

CC1(C)CCC(CNc2nc(ncc2C(=O)NCCc2ccccc2)C#N)CC1

BDBM50032159

CC1(C)CCc2c(O)c(C(=O)CCc3ccc4OC5(C)CCCC(C)(C)C5Cc4c3)c(O)cc2O1

BDBM50032240

CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1

BDBM50397128

CC1(C)CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|

BDBM19688

CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc12 |r|

BDBM50390403

CC1(C)COCc2sc(nc12)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM60117

CC1(C)Cc2c(CO1)sc(NC(=O)C1CC(Cl)=CCC1C(O)=O)c2C#N |c:17|

BDBM55126

CC1(C)Cc2oc3cc(O)c(O)cc3c2C(=O)C1

BDBM484195

CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)OCc1ccccc1

BDBM50237032

CC1(CC1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N

BDBM642847

CC1(CC1)c1cc(C(=O)N[C@@H](Cc2nc3ccc(cc3o2)-c2ccnc(c2)C(F)F)C(=O)NC2(CC2)C#N)n(n1)C1CC1 |r|

BDBM642848

CC1(CC1)c1cc(C(=O)N[C@@H](Cc2nc3ccc(cc3o2)-c2ccnc(c2)C2CC2)C(=O)NC2(CC2)C#N)n(n1)C1CC1 |r|

BDBM642840

CC1(CC1)c1cc(C(=O)N[C@@H](Cc2nc3ccc(cc3o2)C2=CCN(CC(F)F)CC2)C(=O)NC2(CC2)C#N)n(n1)C1CC1 |r,t:24|

BDBM50244753

CC1=C(C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O)c1ccccc1 |t:1|

BDBM60075

CC1=C(C)CC(C(C1)C(O)=O)C(=O)Nc1cccc(c1)[N+]([O-])=O |c:1|

BDBM35500

CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|

BDBM50244752

CC1=C(C)S(=O)(=O)N(C1=O)c1c(F)c(F)nc(F)c1F |c:1|

BDBM55153

CC1=NC(=O)NC(C1[N+]([O-])=O)c1ccc(O)c(O)c1 |t:1|

BDBM41363

CC1=Nc2nc(CCCO)nn2C(C1C(=O)Nc1ccc(F)cc1)c1cccc(C)c1 |t:1|

BDBM41183

CC1CCC(CC1)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccnc1 |(3.08,-1.16,;4.41,-.39,;5.75,-1.16,;7.08,-.39,;7.08,1.16,;5.75,1.93,;4.41,1.16,;8.41,1.93,;9.75,1.16,;9.75,-.39,;11.08,1.93,;12.42,1.16,;12.42,-.39,;11.08,-1.16,;11.08,-2.7,;12.42,-3.47,;12.42,-5.01,;13.75,-2.7,;13.75,-1.16,;13.75,1.93,;12.98,3.26,;14.52,.59,;15.08,2.7,;16.42,1.93,;17.75,2.7,;17.75,4.24,;16.42,5.01,;15.08,4.24,)|

BDBM50349203

CC1CCC(C[C@H](NC(=O)c2ccco2)C(=O)N[C@H]2CC[C@@H](C)N(CC2=O)S(=O)(=O)c2ccccn2)CC1 |r,wU:6.6,wD:21.22,18.18,(28.97,-10.04,;27.63,-10.81,;27.63,-12.35,;26.31,-13.13,;24.98,-12.36,;23.65,-13.13,;23.65,-14.69,;22.31,-15.43,;20.99,-14.64,;21.01,-13.11,;19.65,-15.4,;18.26,-14.75,;17.2,-15.88,;17.95,-17.22,;19.46,-16.92,;24.98,-15.47,;24.96,-17.01,;26.33,-14.72,;27.64,-15.51,;27.51,-17.06,;28.62,-18.12,;30.15,-17.9,;31,-19.19,;30.94,-16.59,;30.39,-15.15,;28.92,-14.67,;28.91,-13.13,;32.47,-16.72,;33.12,-18.11,;31.95,-18.17,;33.36,-15.46,;32.7,-14.06,;33.57,-12.8,;35.12,-12.92,;35.77,-14.33,;34.89,-15.59,;24.96,-10.82,;26.3,-10.04,)|

BDBM41166

CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cc2sccc2n1Cc1ccc(F)cc1

BDBM50425024

CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12

BDBM34189

CC1CCN(Cc2ccc(NC(=O)C3CCN(CC3)c3nnc(s3)-n3cccc3)cc2)CC1

BDBM60119

CC1CCc2sc(NC(=O)C3CC(Cl)=CCC3C(O)=O)c(C#N)c2C1 |c:13|

BDBM50397129

CC1CN(C(C)CN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|

BDBM50252036

CCC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1

BDBM41101

CCC(=O)Oc1oc(nc1\C=N\c1ccccc1OC)-c1ccccc1

BDBM50509391

CCC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM41129

CCC(C(O)=O)n1nnc(n1)-c1ccc(cc1)-c1ccc(OC)cc1

BDBM50401769

CCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)NC1(CCN(C)CC1)C#N |r|

BDBM33524

CCC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cccc(C)c1

BDBM50119065

CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO

BDBM50119062

CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO

BDBM50119061

CCC(C)[C@H](NC(=O)c1cccc(c1)C(N)=O)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO

BDBM50067615

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)NCC=O

BDBM50067594

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](C)C=O

BDBM50067606

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C=O

BDBM50084677

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O

BDBM50002399

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C=O

BDBM50067613

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O

BDBM50067608

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C=O

BDBM50067612

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)C(C)C

BDBM41221

CCC(C)c1ccc(O)c(N)c1

BDBM50313477

CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F

BDBM50121288

CCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1

BDBM50331557

CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1

BDBM50331555

CCC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1

BDBM41304

CCC1(C)Cc2nc3sc(C(O)=O)c(N)c3cc2CO1

BDBM60053

CCC1CCc2c(C1)sc(NC(=O)C1CC=CCC1C(O)=O)c2C#N |c:16|

BDBM50400186

CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17|

BDBM41332

CCCC(=O)N1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1OC

BDBM19897

CCCC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1

BDBM122506

CCCC(C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|

BDBM122507

CCCC(C)NC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|

BDBM50067592

CCCC(CCC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O

BDBM50121287

CCCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1

BDBM50152748

CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC

BDBM50152751

CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50137720

CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1

BDBM50543685

CCCCC#Cc1cc(nc2ccc(OC)cc12)C(=O)OCC

BDBM50260366

CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1

BDBM50385978

CCCCCCCCCCCc1cc(O)c2ccccc2n1

BDBM50325651

CCCCCCSS(=O)CCCCCC

BDBM50385981

CCCCCCc1ccc(cc1)-c1cc(O)c2ccccc2n1

BDBM41329

CCCCN(CCCNC(=O)CN1C(=O)COc2ccccc12)c1ccccc1

BDBM122501

CCCCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|

BDBM122530

CCCCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl |r|

BDBM122502

CCCCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|

BDBM122531

CCCCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl |r|

BDBM50322347

CCCCNC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C(=O)OC)C1=O |r,t:10|

BDBM50121910

CCCCO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM50090644

CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)C=O)cc1

BDBM50385976

CCCCOc1ccc(cc1)-c1cc(O)c2ccccc2n1

BDBM30743

CCCCOc1ccc(cc1OC)C1C2CN(CCC2=C(C#N)C(=N)C1(C#N)C#N)C(=O)OCC |t:21|

BDBM35510

CCCCOc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N

BDBM50255950

CCCCS(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC1(C)CCCC1)C(=O)N[C@H]1[C@H](CC)OCC1=O |r|

BDBM19479

CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C(C)C |r|

BDBM19482

CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C1CCCCC1 |r|

BDBM19481

CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C(C)C |r|

BDBM19483

CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CCCCC1 |r|

BDBM19484

CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CC[C@H](C)CC1 |r,wU:12.13,25.27,wD:12.14,4.6,(2.85,-4.57,;1.52,-3.8,;1.52,-2.26,;.18,-1.49,;.18,.05,;1.52,.82,;2.85,1.59,;-1.15,.82,;-2.59,.29,;-3.55,1.49,;-2.7,2.78,;-1.22,2.36,;-5.09,1.49,;-6.42,.72,;-5.09,3.03,;-6.42,3.8,;-6.42,5.34,;-7.76,3.03,;-9,3.94,;-10.25,3.03,;-9.77,1.57,;-8.23,1.57,;-4.69,.01,;-5.66,-1.19,;-5.12,-2.63,;-3.6,-2.87,;-3.05,-4.31,;-2.62,-1.68,;-3.17,-.24,)|

BDBM50401767

CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)[C@H]1CC[C@H](C)CC1 |r,wU:12.13,25.27,4.6,wD:12.14,22.24,(20.71,-11.27,;19.17,-11.34,;18.45,-12.71,;16.91,-12.77,;16.2,-14.14,;17.03,-15.44,;17.87,-16.74,;14.66,-14.21,;13.81,-15.5,;12.33,-15.08,;12.25,-13.55,;13.7,-13,;11.12,-16.04,;10.34,-17.37,;9.79,-15.27,;8.45,-16.04,;8.45,-17.59,;7.23,-15.11,;5.75,-15.55,;4.87,-14.28,;5.81,-13.06,;7.26,-13.57,;11.88,-17.37,;11.11,-18.69,;11.86,-20.01,;13.38,-20.02,;14.14,-21.36,;14.16,-18.7,;13.4,-17.37,)|

BDBM50401766

CCCC[C@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)[C@H]1CC[C@H](C)CC1 |r,wU:12.13,25.27,wD:12.14,22.24,4.6,(20.99,-15.82,;19.45,-15.89,;18.74,-17.26,;17.2,-17.33,;16.49,-18.7,;17.32,-20,;18.15,-21.29,;14.95,-18.77,;14.09,-20.05,;12.62,-19.64,;12.54,-18.1,;13.98,-17.56,;11.41,-20.6,;10.62,-21.92,;10.07,-19.83,;8.74,-20.6,;8.74,-22.14,;7.51,-19.66,;6.04,-20.11,;5.16,-18.84,;6.09,-17.61,;7.55,-18.12,;12.17,-21.92,;11.39,-23.24,;12.14,-24.56,;13.67,-24.57,;14.43,-25.92,;14.44,-23.26,;13.69,-21.93,)|

BDBM50374367

CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1

BDBM50374299

CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1

BDBM20092

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|

BDBM50177495

CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCc2ccccc12 |w:15.14|

BDBM50177491

CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1 |w:14.14|

BDBM50137790

CCCC[C@H](NC(=O)OC(C)(C)C)C=O

BDBM50148299

CCCC[C@H](NC(=O)OC(CC)(CC)Cc1ccccc1)C=O

BDBM50169487

CCCC[C@H](NC(=O)OC(Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O

BDBM50148293

CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCC1)C=O

BDBM50152520

CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50177503

CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12 |w:23.24|

BDBM50148292

CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O

BDBM50148294

CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCCC1)C=O

BDBM50165423

CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13|

BDBM50165420

CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|

BDBM50165426

CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12|

BDBM50165422

CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50152532

CCCC[C@H](NC(=O)OCC(C)(C)Cc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50152522

CCCC[C@H](NC(=O)OCC(C)(C)c1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50374295

CCCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(o1)-c1ccco1

BDBM50152526

CCCC[C@H](NC(=O)OCC1(CCCc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50152521

CCCC[C@H](NC(=O)OCC1(CCc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50152524

CCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1ccn[nH]1

BDBM50152527

CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50152525

CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50374301

CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1

BDBM50148291

CCCC[C@H](NC(=O)O[C@@H](C)CC1CCCCC1)C=O

BDBM50177494

CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1 |w:19.20|

BDBM50148296

CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O

BDBM50148310

CCCC[C@H](NC(=O)O[C@@H](CC)Cc1ccccc1)C=O

BDBM50165427

CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50165424

CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50169490

CCCC[C@H](NC(=O)O[C@H](CN1CCN(C1=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1

BDBM50177501

CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1 |w:21.22|

BDBM50148298

CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O

BDBM50169484

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1

BDBM50169483

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50169491

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1

BDBM50169488

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O

BDBM50169492

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50169482

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1

BDBM50169496

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50169486

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)CC)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50169481

CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50169495

CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1

BDBM19790

CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|

BDBM50169489

CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NCc1ccno1

BDBM50169485

CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1

BDBM19783

CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r|

BDBM19786

CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|

BDBM19796

CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNc1cccc(F)n1 |r|

BDBM19792

CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1cccnc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|

BDBM19791

CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccncc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|

BDBM50169493

CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1

BDBM50169497

CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1nccs1

BDBM19789

CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|

BDBM19794

CCCC[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|

BDBM50165425

CCCC[C@H](NC(=O)O[C@H]1CCCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50165428

CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50165421

CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1

BDBM50119070

CCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(CN)cc1)C(C)CC)C(=O)CO

BDBM50119060

CCCC[C@H](NC(=O)[C@@H](NC(=O)c1cccc(c1)C(N)=O)C(C)CC)C(=O)CO

BDBM50084655

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|

BDBM19520

CCCC[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|

BDBM41103

CCCCc1[nH]nc2OC(=N)C(C#N)C3(C(=O)N(CC)c4ccccc34)c12

BDBM41134

CCCCc1c(C)nn(c1C)-c1nnc2c3ccccc3n(C)c2n1

BDBM59589

CCCCc1c(O)nc(SCC(=O)Nc2ccc3CCCc3c2)[nH]c1=O

BDBM47000

CCCCc1c(O)nc(SCCN(C)C)n(-c2ccccc2)c1=O

BDBM50385977

CCCCc1ccc(cc1)-c1cc(O)c2ccccc2n1

BDBM50245103

CCCN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O

BDBM50119314

CCCN1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM19855

CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N

BDBM53987

CCCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1

BDBM50325647

CCCSS(=O)CCC

BDBM19681

CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|

BDBM19653

CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r|

BDBM19645

CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|

BDBM50270041

CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)-c1ccc(I)cc1)C(=O)[CH-][N+]#N |r|

BDBM50410971

CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(o1)-c1ccco1

BDBM50410973

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccco1

BDBM50410976

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1

BDBM50374300

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(CC)o1

BDBM50374296

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(OC)o1

BDBM50374297

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccc(OC)cc1

BDBM50410966

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccc(cc1)C(F)(F)F

BDBM50410965

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(OC)c1

BDBM50374292

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F

BDBM50374293

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1

BDBM50374365

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1

BDBM50410967

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccs1

BDBM50410964

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)C(C)(C)C

BDBM50410978

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)C(C)C

BDBM50374399

CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1

BDBM50410977

CCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1

BDBM50410970

CCC[C@H](NC(=O)Cc1ccccc1)C(=O)c1nnc(o1)-c1ccco1

BDBM20086

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|

BDBM50410974

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccc(cc1)N(C)C

BDBM50410969

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccccc1OC

BDBM50410972

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1cccs1

BDBM50410975

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)C(C)C

BDBM50410963

CCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(o1)-c1ccco1

BDBM50410980

CCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1

BDBM50152752

CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1

BDBM50152754

CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1

BDBM50152753

CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)CC)C(C)(C)C)C(=O)C(=O)NC1CC1

BDBM50152755

CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)OC)C(C)(C)C)C(=O)C(=O)NC1CC1

BDBM122486

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122512

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122518

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122516

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)cc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122527

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)N1CCOCC1)C(=O)C(=O)NC1CC1 |r|

BDBM122492

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122517

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)N(C)C1CC1 |r|

BDBM122511

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC(C)C |r|

BDBM122479

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122514

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC |r|

BDBM122510

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC(F)(F)F |r|

BDBM122505

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r|

BDBM122488

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(I)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122490

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122494

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122532

CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r|

BDBM50137736

CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC(C)CC

BDBM50137733

CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1

BDBM50137732

CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1

BDBM50326056

CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r|

BDBM50410979

CCC[C@H](NC(=O)[C@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1

BDBM50410968

CCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)c1nnc(o1)-c1ccco1

BDBM50505323

CCC[C@H]1CC[C@@H](CC1)N(Cc1ccc2OCOc2c1)c1nc(nc(n1)N1CCOCC1)C#N |r,wU:6.9,wD:3.2,(35.77,-15.92,;34.44,-15.15,;33.11,-15.91,;31.77,-15.14,;31.78,-13.6,;30.44,-12.82,;29.12,-13.59,;29.11,-15.13,;30.44,-15.9,;27.78,-12.82,;26.45,-13.59,;26.45,-15.13,;27.78,-15.89,;27.79,-17.43,;26.45,-18.21,;26.13,-19.72,;24.59,-19.88,;23.96,-18.47,;25.11,-17.43,;25.11,-15.9,;27.78,-11.28,;29.12,-10.51,;29.12,-8.96,;27.78,-8.2,;26.45,-8.97,;26.45,-10.51,;25.12,-8.2,;25.12,-6.65,;23.8,-5.88,;22.46,-6.64,;22.45,-8.18,;23.79,-8.96,;30.44,-8.18,;31.77,-7.41,)|

BDBM50323082

CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50323083

CCCc1cc(nc(n1)C#N)-c1cc(ccc1Cl)C(F)(F)F

BDBM50323085

CCCc1cc(nc(n1)C#N)-c1ccc(C)c(c1)C(F)(F)F

BDBM50313465

CCCc1cc(nc(n1)C#N)-c1ccc(Cl)c(c1)C(F)(F)F

BDBM50323084

CCCc1cc(nc(n1)C#N)-c1ccc(F)c(c1)C(F)(F)F

BDBM50323071

CCCc1cc(nc(n1)C#N)-c1ccc(OC(C)C)c(c1)C(F)(F)F

BDBM50323070

CCCc1cc(nc(n1)C#N)-c1ccc(OC(F)(F)F)c(c1)C(F)(F)F

BDBM50323086

CCCc1cc(nc(n1)C#N)-c1ccc(OC)c(c1)C(F)(F)F

BDBM50322917

CCCc1cc(nc(n1)C#N)-c1ccc(OCC)c(c1)C(F)(F)F

BDBM50313464

CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F

BDBM50323073

CCCc1cc(nc(n1)C#N)-c1cccc(Br)c1

BDBM50313470

CCCc1cc(nc(n1)C#N)-c1cccc(C)c1

BDBM50323078

CCCc1cc(nc(n1)C#N)-c1cccc(CC(C)C)c1

BDBM50323075

CCCc1cc(nc(n1)C#N)-c1cccc(CC)c1

BDBM50323072

CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1

BDBM50323079

CCCc1cc(nc(n1)C#N)-c1cccc(OC(F)(F)F)c1

BDBM50313467

CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C

BDBM50323074

CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)=O

BDBM50323077

CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)C

BDBM50313461

CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F

BDBM50323080

CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CC1

BDBM50323081

CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCC1

BDBM50313468

CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCCC1

BDBM50313469

CCCc1cc(nc(n1)C#N)-c1cccc(c1)S(C)(=O)=O

BDBM50313462

CCCc1cc(nc(n1)C#N)-c1ccccc1

BDBM50313463

CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F

BDBM19487

CCCc1ccc(c(F)c1F)-c1ccccc1OCC=O

BDBM50323076

CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N

BDBM35508

CCN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1

BDBM41108

CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1

BDBM50095484

CCN(CC)C#N

BDBM34647

CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nsnc2c1

BDBM40947

CCN(CC)C(=O)CSc1nc2ccc(CC)cc2cc1C#N

BDBM50374667

CCN(CC)C(=O)CSc1nnc(o1)C(N)Cc1c[nH]c2ccccc12

BDBM41143

CCN(CC)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1

BDBM46997

CCN(CC)C(c1nnnn1C1CCCCC1)c1ccc(C)cc1

BDBM41357

CCN(CC)CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O

BDBM55157

CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nn1cnnc1

BDBM38500

CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc(C)c2=O)cc1 |w:10.10|

BDBM59743

CCN(CC)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1

BDBM59744

CCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C

BDBM50601464

CCN(CC)c1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1

BDBM52773

CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12

BDBM130415

CCN1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl)c1ncc(Br)cc1F |r|

BDBM50323244

CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1

BDBM122513

CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|

BDBM50042852

CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|

BDBM642843

CCNc1ccc(cn1)-c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C3(C)CC3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM41100

CCOC(=O)C(N(C#N)c1nc(SC)nc(n1)N(C)C)C(=O)OCC

BDBM41098

CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(Cl)c1Cl)C(=O)OC |c:5,t:8|

BDBM55160

CCOC(=O)C1C(NC(=O)N=C1CS(=O)(=O)c1ccc(F)cc1)c1ccc(O)c(O)c1 |c:10|

BDBM50108840

CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM41102

CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)-c1n[nH]c(=O)c2ccccc12

BDBM41127

CCOC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1

BDBM19613

CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(OC)c1 |r|

BDBM19636

CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|

BDBM55129

CCOC(=O)Cc1csc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)n1

BDBM41180

CCOC(=O)N1CCC(CC1)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1

BDBM41348

CCOC(=O)N1CCC(CC1)Nc1ncnc2n(ncc12)-c1ccc(Cl)cc1

BDBM41337

CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1CCc1ccccc1

BDBM41177

CCOC(=O)N1CCN(CC1)c1c(N2CCN(CC2)c2ccccn2)c(=O)c1=O

BDBM55142

CCOC(=O)NC(=O)COC(=O)c1ccc(Sc2nnc[nH]2)c(c1)[N+]([O-])=O

BDBM34788

CCOC(=O)NC1(Nc2ccc(C)cc2)Oc2ccccc2O1

BDBM50304287

CCOC(=O)Nn1c(-c2ccc(OC)cc2)c2cc3OCOc3cc2cc1=O

BDBM228616

CCOC(=O)[C@@H]1O[C@H]1C(=O)N(CC(N)=O)NC(=O)C1CCCN1C(C)=O |r|

BDBM36332

CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|

BDBM50052693

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r|

BDBM50175214

CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C(C)C)N1CCC1)C(=O)OCC

BDBM50463142

CCOC(=O)\C=C\C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50463148

CCOC(=O)\C=C\C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|

BDBM50463149

CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|

BDBM50463146

CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50463147

CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r|

BDBM50463157

CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50463151

CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r|

BDBM50463143

CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|

BDBM50463152

CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|

BDBM50463154

CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50463145

CCOC(=O)\C=C\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|

BDBM50463150

CCOC(=O)\C=C\[C@@H](O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50463156

CCOC(=O)\C=C\[C@@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|

BDBM50463155

CCOC(=O)\C=C\[C@@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50463153

CCOC(=O)\C=C\[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM41327

CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)OCCO3)c1C

BDBM59882

CCOC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccc(C)cc1 |c:12|

BDBM59881

CCOC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cccc(C)c1 |c:12|

BDBM55179

CCOC(=O)c1ccc(NC(=O)Nn2cnnc2)cc1

BDBM37412

CCOC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N

BDBM31022

CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1

BDBM35505

CCOC(=O)c1s\c(=N\C(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)n(C)c1C

BDBM41157

CCOC(=O)c1sc(=S)n(c1N)-c1cc(F)ccc1F |(7.12,6.15,;7.74,4.74,;6.84,3.49,;7.47,2.09,;9,1.93,;6.56,.84,;5.02,.84,;4.54,-.62,;3.08,-1.1,;5.79,-1.53,;7.04,-.62,;8.5,-1.1,;5.79,-3.07,;7.12,-3.84,;7.12,-5.38,;8.46,-6.15,;5.79,-6.15,;4.46,-5.38,;4.46,-3.84,;3.12,-3.07,)|

BDBM50128823

CCOC(C)=O

BDBM50109172

CCOC(OCC)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO

BDBM50119064

CCOCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

BDBM41362

CCOCCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1

BDBM41324

CCOc1cc(C=Nn2cnnc2)c(Br)cc1O |w:7.7|

BDBM50558308

CCOc1cc(O)ccc1C(=O)\C=C\C=C\c1ccccc1OC

BDBM55141

CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)Nn1cnnc1

BDBM35506

CCOc1ccc(CCNC(=O)Cn2c(nc3ccccc23)-c2nonc2N)cc1OCC

BDBM60125

CCOc1ccc(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)cc1 |t:18,TLB:8:10:23:19.17,20:19:10.11:23,THB:12:11:23:19.17,18:17:10.11:23|

BDBM59769

CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1

BDBM59824

CCOc1ccc(NC(=O)Nc2cccs2)cc1

BDBM41173

CCOc1ccc(NC2=NC(CC(=O)N2)C(=O)NCc2ccccc2)cc1 |t:8|

BDBM41189

CCOc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1

BDBM41185

CCOc1ccc(cc1)C1CC(=O)NC(SCC=C)=C1C#N |c:19|

BDBM59734

CCOc1cccc(c1)-c1cc(=O)[nH][nH]1

BDBM35503

CCOc1nc(nc(n1)N1CCCCC1)C#N

BDBM50371564

CCS(=O)(=O)C=C[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:5.4,c:29|

BDBM32787

CCSc1ccccc1C(=O)n1nnc2ccccc12

BDBM41128

CCSc1nc2ccccc2n1CC(=O)N1CCCCC1

BDBM50369401

CC[C@@H](C)[C@H](NC(=O)NC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369407

CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369408

CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369410

CC[C@@H](C)[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369405

CC[C@@H](C)[C@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM20088

CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|

BDBM50369406

CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369404

CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50554292

CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM50369402

CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369403

CC[C@@H](C)[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369399

CC[C@@H](C)[C@H](NC(=S)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369400

CC[C@@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369398

CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369409

CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50369397

CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM19644

CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|

BDBM19715

CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|

BDBM19660

CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r|

BDBM50167288

CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N

BDBM50255848

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccsc1 |r|

BDBM50255952

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1 |r|

BDBM50255951

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1 |r|

BDBM50255130

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1 |r|

BDBM50255131

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CCCCC2)cc1 |r|

BDBM50255949

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)CC)cc1 |r|

BDBM50255176

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 |r|

BDBM50255132

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 |r|

BDBM50255456

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 |r|

BDBM50255499

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 |r|

BDBM50255500

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 |r|

BDBM50255570

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C#N)cc1 |r|

BDBM50255457

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 |r|

BDBM50255569

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1 |r|

BDBM50255571

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)C#N)cc1 |r|

BDBM50255354

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 |r|

BDBM50255408

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 |r|

BDBM50255133

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 |r|

BDBM50255409

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)nc1 |r|

BDBM50255627

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 |r|

BDBM50255498

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1 |r|

BDBM50255458

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 |r|

BDBM50255680

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccn2)cc1 |r|

BDBM50255629

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1 |r|

BDBM50255682

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 |r|

BDBM50255731

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 |r|

BDBM50255628

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccncc2)cc1 |r|

BDBM50255681

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C)cc1 |r|

BDBM50255733

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(C)cs2)cc1 |r|

BDBM50255789

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(cs2)C(C)C)cc1 |r|

BDBM50255791

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ncc(C)s2)cc1 |r|

BDBM50255732

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nccn2C)cc1 |r|

BDBM50255790

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1 |r|

BDBM50255297

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 |r|

BDBM50255351

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r|

BDBM50255352

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(F)c1 |r|

BDBM50255295

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(OC)c1 |r|

BDBM50255353

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(c1)C(C)=O |r|

BDBM50255849

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 |r|

BDBM50255298

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1C |r|

BDBM50255296

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1OC |r|

BDBM50255410

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)nc1 |r|

BDBM50255895

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(cc1)N(C)S(C)(=O)=O |r|

BDBM50255896

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(cc1)S(=O)(=O)NC |r|

BDBM50255894

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(NS(C)(=O)=O)c1 |r|

BDBM50255897

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(c1)S(=O)(=O)NC |r|

BDBM50042851

CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|

BDBM19899

CC[C@H](C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 |r|

BDBM50033762

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38|

BDBM50505568

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:41|

BDBM50505554

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:45|

BDBM50505557

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@H](C)C(OCCCCC#C)=CC1=O |r,c:43|

BDBM50505563

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:45|

BDBM50505559

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:48|

BDBM50505564

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52|

BDBM50505565

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52|

BDBM50505556

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52|

BDBM50505558

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52|

BDBM50335277

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|

BDBM50186088

CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r|

BDBM20084

CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|

BDBM122477

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122485

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122484

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122508

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122509

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122481

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122515

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)cc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122526

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)N1CCOCC1)C(=O)C(=O)NC1CC1 |r|

BDBM122491

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122478

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122523

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CCOCC1 |r|

BDBM122525

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC(C)C |r|

BDBM122524

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCOC |r|

BDBM122521

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCc1ccc2ccccc2c1 |r|

BDBM122520

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCc1cccc2ccccc12 |r|

BDBM122519

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCc1ccccc1 |r|

BDBM122522

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1cccc2ccccc12 |r|

BDBM122503

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r|

BDBM122482

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)c1nc2ccccc2o1 |r|

BDBM122483

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122487

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(I)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122493

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Br)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122480

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122489

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122495

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM122471

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1C)C(=O)C(=O)NC1CC1 |r|

BDBM122472

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C)C(=O)C(=O)NC1CC1 |r|

BDBM122476

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1cc(C)nn1C1CCC1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122474

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1cc(C)nn1C1CCC1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122473

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|

BDBM122475

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)c1nc2ccccc2o1 |r|

BDBM38871

CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12

BDBM50153291

CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

BDBM59840

CCc1c(O)nc(SCC(=O)Nc2cccc3ccccc23)n(CC=C)c1=O

BDBM60122

CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O

BDBM59931

CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O

BDBM59952

CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O

BDBM59757

CCc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1 |c:11|

BDBM59987

CCc1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1

BDBM50385975

CCc1ccc(cc1)-c1cc(O)c2ccccc2n1

BDBM50128951

CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1

BDBM50128960

CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCc2ccccc2)cc1

BDBM50388843

CCc1ccc2SCCC(=NNC(N)=S)c2c1 |w:10.10|

BDBM50388861

CCc1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:14.16|

BDBM429283

CCc1ccccc1NC(=O)CSC(=O)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

BDBM50377082

CCc1ccccc1NC(=O)CSC(=O)NNC(=O)CCc1c[nH]c2ccccc12

BDBM50374664

CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

BDBM50374665

CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

BDBM50374666

CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

BDBM50377083

CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

BDBM41141

CCc1ccccc1NC(=O)CSc1nnc(o1)[C@@H](N)Cc1c[nH]c2ccccc12

BDBM55176

CCc1ccccc1NC(=S)Nn1cnnc1

BDBM50390389

CCc1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50400189

CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5|

BDBM50400193

CCc1sc(N=NC(C)COc2ccccc2)nc1S |w:6.6|

BDBM60201

CCn1c2ccccc2c2cc(NC(=O)CSc3nccc(=O)[nH]3)ccc12

BDBM31040

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1

BDBM31044

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1

BDBM50335274

CN(C#N)N(C)C(=O)CNC(=O)OCc1ccccc1

BDBM50335278

CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 |r|

BDBM50335279

CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 |r|

BDBM50304793

CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50451631

CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(nn1C)C(C)(C)C |r|

BDBM41123

CN(C(=O)C1CCOC1)c1nnc(s1)-c1cccnc1

BDBM50336043

CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1

BDBM50374668

CN(C)C(=O)CSc1nnc(o1)C(N)Cc1c[nH]c2ccccc12

BDBM33517

CN(C)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1

BDBM50395230

CN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM50257017

CN(C)C(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20|

BDBM50257014

CN(C)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:29|

BDBM50573816

CN(C)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1

BDBM50271687

CN(C)CCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC#N |r|

BDBM50323247

CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N

BDBM41365

CN(C)CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O

BDBM41135

CN(C)CCNc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc1ccc(Cl)cc1

BDBM50042858

CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N

BDBM50042856

CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N

BDBM50152530

CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1

BDBM40654

CN(C)S(=O)(=O)NCc1cn2c(C)csc2n1

BDBM41373

CN(C)S(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1

BDBM37160

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCN(CC1)c1ccccc1

BDBM50461255

CN(C)c1ccc(C[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cc1 |r|

BDBM50491315

CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|

BDBM642839

CN(C)c1ccc(cn1)-c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C3(C)CC3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM50268444

CN(C)c1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM41148

CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(c1)C(O)=O

BDBM20121

CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|

BDBM50273177

CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N

BDBM50252653

CN(Cc1cc2cnc(nc2n1CCC1CCCCC1)C#N)c1ccccc1

BDBM50030746

CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N

BDBM50030744

CN(N(CC(=O)N1CCOCC1)C#N)C(=O)OC(C)(C)C

BDBM138142

CN(N=C(c1ccccc1)c1cccc(c1)C(=O)c1ccccc1)C(N)=S |w:2.1|

BDBM54099

CN1C(=O)C(C2=NN(C(C2)c2ccccc2)C(C)=O)C(=O)N(C)C1=O |t:5|

BDBM55099

CN1C(=O)N(C(n2cncn2)C1(C)C)c1cccc2ccccc12

BDBM50135543

CN1C(=O)c2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O

BDBM130414

CN1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl)c1ncc(Br)cc1F |r|

BDBM50201707

CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|

BDBM642827

CN1CCC(=CC1)c1ccc2nc(C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)NC3(CC3)C#N)oc2c1 |r,c:4|

BDBM50401770

CN1CCC(CC1)(NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N |r|

BDBM50273287

CN1CCC(CC1)(NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N)c1ccccc1

BDBM19742

CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1

BDBM50273220

CN1CCC(CC1)Oc1ccc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(c1)-c1ccccc1

BDBM50273289

CN1CCC(CC1)Oc1nc(nc(NCC2CCC3(CC3)CC2)c1C(=O)NCc1ccccc1)C#N

BDBM50272679

CN1CCC(CCOc2cc(NCC3CCC4(CC4)CC3)nc(n2)C#N)CC1

BDBM50336042

CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1

BDBM50272786

CN1CCC(CCOc2nc(nc(NCC3CCC4(CC4)CC3)c2Br)C#N)CC1

BDBM50272626

CN1CCC(CCOc2nc(nc(NCC3CCC4(CC4)CC3)c2C(=O)NCCc2ccccc2)C#N)CC1

BDBM50272625

CN1CCC(CCOc2nc(nc(NCC3CCC4(CC4)CC3)c2C(=O)NCc2ccccc2)C#N)CC1

BDBM50273286

CN1CCC(CNC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)(CC1)c1ccccc1

BDBM50272624

CN1CCC(COc2nc(nc(NCC3CCC4(CC4)CC3)c2C(=O)NCc2ccccc2)C#N)CC1

BDBM50273288

CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N

BDBM642830

CN1CCN(C(=O)C1)c1ccc2nc(C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM50376503

CN1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1

BDBM50461263

CN1CCN(CC1)C(=O)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM674494

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1Cc2ccccc2OC1O

BDBM50229129

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|

BDBM674464

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c1ccccc1

BDBM50509384

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r|

BDBM674495

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc[nH]c1=O)C=O

BDBM50395227

CN1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM39535

CN1CCN(CC1)S(=O)(=O)c1ccc(Br)s1

BDBM41149

CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1

BDBM50376498

CN1CCN(CC1)c1ccc(CC#Cc2cnc(nc2NCC(C)(C)C)C#N)cc1

BDBM19735

CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1

BDBM19739

CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1

BDBM50573801

CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1

BDBM19895

CN1CCN(CC1)c1ccc(cc1)-c1cccc(CC(=O)NCC#N)c1

BDBM19898

CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CC1)C(=O)NCC#N

BDBM19900

CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CCC1)C(=O)NCC#N

BDBM19896

CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(Cc1ccccc1)C(=O)NCC#N

BDBM642826

CN1CCN(CC1)c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C(C)(C)C)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM642825

CN1CCN(CC1)c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C3CC3)C(=O)NCC#N)oc2c1 |r|

BDBM642824

CN1CCN(CC1)c1ccc2nc(C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM19740

CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1

BDBM456055

CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)NC(C=O)(C1CCCC1)N1CC(C#C)C2OCC(=O)C12

BDBM194227

CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@H](C#C)C2OCC(=O)C12 |r|

BDBM123101

CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|

BDBM19854

CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N

BDBM50156087

CN1CCN(CCCOc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)CC1

BDBM50156084

CN1CCN(CCOc2ccc(COc3ccccc3Nc3nc(nc4n(cnc34)C3CCCC3)C#N)cc2)CC1

BDBM19746

CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1

BDBM19741

CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1

BDBM50491137

CN1CC\C(=N/NC(N)=S)c2cc(Br)ccc12

BDBM40952

CN1CCc2c(C1)sc1N=CN3N\C(N=C3c21)=C1/C=CC=CC1=O |c:10,15,22,24|

BDBM41136

CN1CCc2c(C1)sc1NC(NC(=O)c21)c1ccc(C)s1

BDBM29643

CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31

BDBM50001955

CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|

BDBM50011507

CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|

BDBM50011509

CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](O)CCN2)C#N)cc1 |r|

BDBM50135547

CN1Cc2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O

BDBM50331553

CNC(=O)C(=O)C(C)NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F

BDBM50031795

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|

BDBM50263510

CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N

BDBM50263668

CNC(=O)c1c(NCC2CCC3(CC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N

BDBM50263611

CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OC1CC(C)(C)NC(C)(C)C1)C#N

BDBM50263555

CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N

BDBM50263612

CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)=O)C#N

BDBM50263557

CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N

BDBM50263609

CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N

BDBM50263610

CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N

BDBM50263554

CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N

BDBM50263667

CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N

BDBM50263511

CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N

BDBM50263512

CNC(=O)c1c(NCC2OCC3(CCC3)CO2)nc(nc1OCC1CCN(C)CC1)C#N

BDBM50263556

CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N

BDBM41161

CNC(CC(=C)C=C)c1ccccc1

BDBM50491282

CNCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50237038

CNCCc1cccc(c1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N

BDBM44818

CNC[C@H](O)c1ccc(O)c(O)c1

BDBM33152

CNCc1ccccc1Sc1ccc(O)c(O)c1

BDBM50099700

COC(=O)CCC(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1cc(NC(=O)CCC(=O)OC)ccc-21

BDBM50099697

COC(=O)CCCCCCC(=O)Nc1ccc2-c3ccccc3C(=O)C(=O)c2c1

BDBM55109

COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccc(C)cc1

BDBM55117

COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1

BDBM55122

COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl

BDBM50377079

COC(=O)CSC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

BDBM50067614

COC(=O)C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM50168944

COC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|

BDBM130449

COC(=O)N1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)cc1Cl)c1ncc(Br)cc1F |r|

BDBM41099

COC(=O)Sc1nc(N2CCOCC2)c2COC(C)(C)Cc2c1C#N

BDBM50322342

COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20|

BDBM50322349

COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1 |r,c:19,TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29.28.33:31|

BDBM50322348

COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC2CCCCC2)C1=O)c1ccccc1 |r,c:19|

BDBM50322343

COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(Br)cc1 |r,c:19|

BDBM50322344

COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19|

BDBM50257018

COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19|

BDBM50322345

COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19|

BDBM50322346

COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19|

BDBM50322341

COC(=O)\C=C\[C@H](CC(C)C)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:23|

BDBM50257015

COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:28|

BDBM50258499

COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r|

BDBM50258498

COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|

BDBM50258500

COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r|

BDBM50258542

COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM41305

COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCCc2ccccc12

BDBM41287

COC(=O)c1c(C(=O)OC)c2cc(C)ccc2n1CCCN

BDBM59829

COC(=O)c1c(C)c(C)sc1NC(=O)C1CC=CCC1C(O)=O |c:17|

BDBM60105

COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cc(C)ccc1C |c:11|

BDBM60055

COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccc(C)cc1 |c:11|

BDBM59651

COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccco1 |c:11|

BDBM60104

COC(=O)c1c(NC(=O)C2CCCCC2C(O)=O)sc2CCCCCc12

BDBM41297

COC(=O)c1cc(Br)c(=O)n(CCc2ccc(F)cc2)c1

BDBM41352

COC(=O)c1cc(C)sc1NC(=O)CCCC(O)=O

BDBM38404

COC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1OC

BDBM55149

COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nn1cnnc1

BDBM41174

COC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1

BDBM50300782

COC(=O)c1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM674493

COC(=O)c1ccc2OC(O)C(Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM41163

COC(=O)c1ccc2SC(N3CCCC3)C(=O)Nc2c1

BDBM19621

COC(=O)c1ccc2nc(N[C@@H](CC3CCCCC3)C(=O)NCCNc3ccc(F)cc3)oc2c1 |r|

BDBM40645

COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1

BDBM50135532

COC(=O)c1cccc(N[C@@H](Cc2cccc(C)c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1

BDBM50268446

COC(=O)c1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM50300780

COC(=O)c1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM35515

COC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N

BDBM453332

COC(C)(C)C(=O)NC(CCCCN)C(=O)COC(C(F)(F)F)C(F)(F)F

BDBM453329

COC(C)(C)C(=O)NC(CCCCN)C(=O)COc1c(F)ccc(F)c1F

BDBM50505566

COC1=CC(=O)N([C@@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|

BDBM50505567

COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2|

BDBM50505561

COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|

BDBM50505555

COC1=CC(=O)N([C@H]1CC(C)C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2|

BDBM50602544

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|

BDBM50602542

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2|

BDBM50602543

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

BDBM50602545

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

BDBM50505562

COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|

BDBM50505560

COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|

BDBM19797

COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|

BDBM50119067

COCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

BDBM55107

COCC(C)NC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F

BDBM41367

COCCCN(C(C)c1ccccn1)C(=O)Nc1ccc(C)c(C)c1

BDBM50156085

COCCN(C)CCn1cnc2c(NC3CCCCC3)nc(nc12)C#N

BDBM50119311

COCCN1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM642845

COCCN1CCC(=CC1)c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C(C)(C)C)C(=O)NCC#N)oc2c1 |r,c:7|

BDBM642846

COCCN1CCC(=CC1)c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C3(C)CC3)C(=O)NC3(CC3)C#N)oc2c1 |r,c:7|

BDBM41097

COCCNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1cccnc1)c1cccc(OC)c1

BDBM39616

COCCNC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F

BDBM50156092

COCCNCCOc1ccc(COc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1

BDBM40090

COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1

BDBM50263641

COCCOc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(F)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50414641

COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1

BDBM355886

CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|

BDBM19585

COc1c(C)cc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1C |r|

BDBM55120

COc1cc(Br)cc(C=Nc2nnc[nH]2)c1O |w:9.9|

BDBM50385964

COc1cc(C(O)=O)c(Nc2ccc(OCc3ccccc3)c(c2)[N+]([O-])=O)c(OC)c1OC

BDBM19586

COc1cc(C)c(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)c(C)c1 |r|

BDBM50594616

COc1cc(Cl)cc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r|

BDBM35511

COc1cc(Cn2c(nc3ccccc23)-c2nonc2N)ccc1C

BDBM45405

COc1cc(NC(=O)C2CC=CCC2C(O)=O)c(OC)cc1Cl |c:10|

BDBM59951

COc1cc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)c(cc1OC)C(O)=O

BDBM59950

COc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C)c(cc1OC)C(O)=O

BDBM59953

COc1cc(NC(=O)CSc2nc3ccccc3cc2C)c(cc1OC)C(O)=O

BDBM60133

COc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)c(cc1OC)C(O)=O

BDBM50273219

COc1cc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(cc1OC)-c1ccccc1

BDBM50385965

COc1cc(Nc2cc(F)c(F)cc2C(O)=O)ccc1OCc1ccccc1

BDBM50385962

COc1cc(Nc2cc3ccccc3cc2C(O)=O)ccc1OCc1ccccc1

BDBM50385982

COc1cc(Nc2ccccc2C(O)=O)ccc1OCc1ccccc1

BDBM50491479

COc1cc(O)ccc1C(=O)\C=C\c1ccc(F)cc1

BDBM50558312

COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c2ccccc12

BDBM50491469

COc1cc(O)ccc1\C=C\C(=O)c1ccc(F)cc1

BDBM50491468

COc1cc(O)ccc1\C=C\C(=O)c1ccc(N)cc1

BDBM50491478

COc1cc(O)ccc1\C=C\C(=O)c1ccc(NC(C)=O)cc1

BDBM50068267

COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1

BDBM50232474

COc1cc(OC)cc(c1)C(=N/NC(N)=S)\c1cccc(Br)c1

BDBM50558309

COc1cc(\C=C\C=C\C(=O)c2ccc(O)cc2)ccc1O

BDBM41290

COc1cc(ccc1-n1cnnn1)S(=O)(=O)N1CCCC2(CCCCC2)C1

BDBM50397138

COc1cc(ccc1C1CC1)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM55169

COc1cc(ccc1NC(=O)Nn1cnnc1)[N+]([O-])=O

BDBM55168

COc1cc(ccc1NC(=S)Nn1cnnc1)[N+]([O-])=O

BDBM50525274

COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1

BDBM50525275

COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1

BDBM50525282

COc1cc(ccc1Nc1ccc(N2CCOCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1

BDBM35523

COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34

BDBM50385969

COc1cc2[nH]c3cc(F)c(F)cc3c(=O)c2cc1OCc1ccccc1

BDBM50385970

COc1cc2[nH]c3ccccc3c(=O)c2cc1OCc1ccccc1

BDBM50491466

COc1ccc(C(=O)\C=C\c2ccc(F)cc2)c(O)c1

BDBM50491476

COc1ccc(C(=O)\C=C\c2ccc(OC)c(Br)c2)c(O)c1

BDBM35519

COc1ccc(C)c(Cn2c(nc3ccccc23)-c2nonc2N)c1

BDBM50461257

COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1

BDBM41172

COc1ccc(CCNC(=O)C2CCN(CC2)S(=O)(=O)c2cc(OC)ccc2OC)cc1

BDBM19732

COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1

BDBM19736

COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1

BDBM19745

COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1

BDBM47002

COc1ccc(CCn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1

BDBM41284

COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1

BDBM19754

COc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C#N)cc1 |r|

BDBM19558

COc1ccc(C[C@H](NC(=O)c2cccc(C)c2)C(=O)NCCNc2ccc(OC)cc2)cc1 |r|

BDBM50502842

COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)N[C@H](Cc2ccccc2)C#N)cc1 |r|

BDBM50502845

COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C#N)cc1 |r|

BDBM50502843

COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(=O)N[C@H](Cc2ccccc2)C#N)cc1 |r|

BDBM50252598

COc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1

BDBM41140

COc1ccc(Cl)c(Cn2c(NCCCO)nc3n(C)c(=O)n(C)c(=O)c23)c1

BDBM55128

COc1ccc(Cl)cc1NC(=O)Nn1cnnc1

BDBM59684

COc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1

BDBM59842

COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1

BDBM55171

COc1ccc(NC(=O)NNC(=O)CCc2ccc(O)c(O)c2)cc1OC

BDBM19548

COc1ccc(NCCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)C2CCCCC2)cc1 |r|

BDBM19551

COc1ccc(NCCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)c2ccccc2)cc1 |r|

BDBM19547

COc1ccc(NCCNC(=O)[C@H](CC(C)(C)C)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM50113676

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1

BDBM50128950

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cc3ccccc3[nH]2)cc1

BDBM50128949

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1

BDBM50113674

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1

BDBM50113667

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1

BDBM50113673

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)C(C)C)cc1

BDBM50113664

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cn2)C(C)C)cc1

BDBM19545

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM50128969

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(OC)c2)cc1

BDBM50128967

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1

BDBM50113662

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2cccc(Cl)c2Cl)cc1

BDBM50113669

COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2ccccc2Cl)cc1

BDBM19579

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCCN(C2)c2ncc(Br)cn2)cc1 |r|

BDBM19578

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCN(CC2)c2ncc(Br)cn2)cc1 |r|

BDBM19569

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3cc(Cl)ccc3o2)cc1 |r|

BDBM19577

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 |r|

BDBM19574

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 |r|

BDBM19572

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2cccc(Cl)c2)cc1 |r|

BDBM19571

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 |r|

BDBM19576

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-n2cncn2)cc1 |r|

BDBM19575

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r|

BDBM19581

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1 |r|

BDBM19582

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1 |r|

BDBM19568

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)cc1 |r|

BDBM19549

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19573

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(Oc3ccccc3)c2)cc1 |r|

BDBM19570

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(c2)-c2ccccc2)cc1 |r|

BDBM19580

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cnn(c2C)-c2ccccc2)cc1 |r|

BDBM19614

COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 |r|

BDBM19550

COc1ccc(NCCNC(=O)[C@H](CCC2CCCCC2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19567

COc1ccc(NCCNC(=O)[C@H](Cc2c(F)c(F)c(F)c(F)c2F)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19565

COc1ccc(NCCNC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19556

COc1ccc(NCCNC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19553

COc1ccc(NCCNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19559

COc1ccc(NCCNC(=O)[C@H](Cc2ccc(NC(C)=O)cc2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19566

COc1ccc(NCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19557

COc1ccc(NCCNC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19564

COc1ccc(NCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19554

COc1ccc(NCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19552

COc1ccc(NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19555

COc1ccc(NCCNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19560

COc1ccc(NCCNC(=O)[C@H](Cc2cccnc2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19562

COc1ccc(NCCNC(=O)[C@H](Cc2ccco2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19561

COc1ccc(NCCNC(=O)[C@H](Cc2ccncc2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19563

COc1ccc(NCCNC(=O)[C@H](Cc2cncs2)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19611

COc1ccc(NC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19610

COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r|

BDBM19622

COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 |r|

BDBM50385960

COc1ccc(Nc2ccc(cc2C(O)=O)[N+]([O-])=O)cc1

BDBM69369

COc1ccc(Nc2ccccc2C(O)=O)cc1

BDBM50197891

COc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1

BDBM50463233

COc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1

BDBM50197890

COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1

BDBM50463226

COc1ccc(Nc2nc(nc(n2)N2CCOCC2)C#N)cc1

BDBM60130

COc1ccc(OC)c(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)c1 |t:20,TLB:10:12:25:21.19,22:21:12.13:25,THB:20:19:12.13:25,14:13:25:21.19|

BDBM41356

COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1

BDBM40981

COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1

BDBM54111

COc1ccc(OC)c(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)c1

BDBM41138

COc1ccc(OC)c(c1)C1C(C#N)C(=N)Oc2cc(C)n(Cc3ccccn3)c(=O)c12

BDBM50417998

COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|

BDBM50417994

COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@@H](C)N(C1)C#N |r|

BDBM50417995

COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|

BDBM41289

COc1ccc(OC)c(c1)\N=c1/oc2c(OC)cccc2cc1C(=O)NCc1ccco1

BDBM50609624

COc1ccc(\C=C\C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1OC |r|

BDBM50609620

COc1ccc(\C=C\C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1OC |r|

BDBM50609625

COc1ccc(\C=C\C(=O)NC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1OC |r|

BDBM50609621

COc1ccc(\C=C\C(=O)NC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1OC |r|

BDBM50558305

COc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2OC)cc1

BDBM50491471

COc1ccc(\C=C\C(=O)c2ccc(F)cc2)cc1Br

BDBM50558314

COc1ccc(\C=C\C(=O)c2ccc(O)cc2)c2ccccc12

BDBM50491477

COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1Br

BDBM50491482

COc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1Br

BDBM50491475

COc1ccc(\C=C\C(=O)c2ccco2)cc1Br

BDBM50491470

COc1ccc(\C=C\C(=O)c2cccs2)cc1Br

BDBM240596

COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|

BDBM240602

COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM240599

COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130403

COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(C)C1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|

BDBM130401

COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(C1)C(=O)OC(C)(C)C)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|

BDBM130402

COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CNC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|

BDBM59791

COc1ccc(cc1)-c1cc(=O)[nH][nH]1

BDBM19530

COc1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|

BDBM50268500

COc1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM50304290

COc1ccc(cc1)-c1n(N)c(=O)cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12

BDBM50304286

COc1ccc(cc1)-c1n(N)c(=O)cc2cc3OCOc3cc12

BDBM50304289

COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(SC)cc2)c(=O)cc2cc3OCOc3cc12

BDBM50304288

COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(cc2)C(C)=O)c(=O)cc2cc3OCOc3cc12

BDBM50304291

COc1ccc(cc1)-c1n(NC(=O)OC(C)(C)C)c(=O)cc2cc(OC)c(OC)cc12

BDBM50304285

COc1ccc(cc1)-c1n(NC(=O)OC(C)(C)C)c(=O)cc2cc3OCOc3cc12

BDBM41181

COc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)NCc1ccccc1Cl

BDBM55119

COc1ccc(cc1)-n1c(O)c(C=Nn2cnnc2)c2ccccc2c1=O |w:13.14|

BDBM41188

COc1ccc(cc1)-n1c2nncn2c2sc3CC(C)CCc3c2c1=O

BDBM138147

COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=NNC(N)=S)c1ccc(O)cc1 |w:21.23,9.10|

BDBM138150

COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=NNC(N)=S)c1ccc(OC)cc1 |w:21.23,9.10|

BDBM138149

COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=O)c1ccc(O)cc1 |w:9.10|

BDBM35521

COc1ccc(cc1)C(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1

BDBM50128964

COc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCC(C)C)cc1

BDBM50128962

COc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCC2CCCC2)cc1

BDBM138148

COc1ccc(cc1)C(=O)c1cccc(c1)C(=NNC(N)=S)c1ccc(O)cc1 |w:17.19|

BDBM50128815

COc1ccc(cc1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(OC)cc1

BDBM35494

COc1ccc(cc1)C(=O)c1n[o+]n([O-])c1C(=O)c1ccc(OC)cc1

BDBM33453

COc1ccc(cc1)C(=O)n1cnnc1N

BDBM47815

COc1ccc(cc1)C1=CC(=O)C=CC1=O |c:13,t:9|

BDBM41162

COc1ccc(cc1)C1C(C(=O)NCc2ccccn2)c2cc(OC)c(OC)cc2C(=O)N1C

BDBM53950

COc1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|

BDBM35504

COc1ccc(cc1)N(CC(=O)NCC1CCCO1)S(=O)(=O)c1c(C)noc1C

BDBM41112

COc1ccc(cc1)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)n[nH]c1C

BDBM41121

COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccc(C)c(C)c2)C1

BDBM50397122

COc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50397117

COc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM41178

COc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2c(C)noc2\C=C\N(C)C)CC1

BDBM41156

COc1ccc(cc1)N1CCN(CCNC(=O)CCN2C(=O)COc3ccccc23)CC1

BDBM50371562

COc1ccc(cc1)S(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=NC(COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:12.13,c:27|

BDBM50376508

COc1ccc(cc1)S(=O)(=O)N1CCN(CC#Cc2cnc(nc2NCC(C)(C)C)C#N)CC1

BDBM41164

COc1ccc(cc1)S(=O)(=O)NC(CC(=O)N1CCc2ccccc12)c1ccco1

BDBM41345

COc1ccc(cc1)S(=O)(=O)Nc1ccc(CC#N)cc1

BDBM35486

COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccc(C)cc2)cc1N

BDBM35491

COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N

BDBM32761

COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N

BDBM35509

COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N

BDBM19668

COc1ccc(cc1)[C@H](CC(=O)N1CCOCC1)C(=O)N[C@H](CNc1ccc(OC(F)(F)F)cc1)C(C)C |r|

BDBM50042850

COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N

BDBM50042855

COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O

BDBM50042857

COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N

BDBM59766

COc1ccc(cc1NC(=O)C1CC=CCC1C(O)=O)C(C)(C)C |c:14|

BDBM50330039

COc1ccc(cc1O)C(=NNC(N)=S)c1cc(OC)c(OC)c(OC)c1 |w:10.11|

BDBM59817

COc1ccc(cc1OC)-c1cc(=O)[nH][nH]1

BDBM50397121

COc1ccc(cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50397126

COc1ccc(cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM50397142

COc1ccc(cc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50397137

COc1ccc(nc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50491156

COc1ccc2CCC\C(=N/NC(N)=S)c2c1

BDBM50244510

COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1

BDBM674489

COc1ccc2OC(O)C(Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM210847

COc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|

BDBM210846

COc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|

BDBM50388845

COc1ccc2SCCC(=NNC(N)=S)c2c1 |w:10.10|

BDBM50385967

COc1ccc2[nH]c3ccc(cc3c(=O)c2c1)[N+]([O-])=O

BDBM50491148

COc1ccc2\C(CCCc2c1)=N\NC(N)=S

BDBM41133

COc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1

BDBM210852

COc1ccc2c(CCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r|

BDBM210848

COc1ccc2c(CC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:9|

BDBM50388831

COc1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:14.16|

BDBM47613

COc1ccc2nc(C)cc(SCC(=O)NN=Cc3ccc(O)c(O)c3)c2c1 |w:16.15|

BDBM41104

COc1ccc2nc(CC(C)(C)CC(O)=O)c[n+]([O-])c2c1

BDBM41110

COc1ccc2nc(N=CN(C)C)sc2c1 |w:8.7|

BDBM60084

COc1ccc2nc(SCC(=O)Nc3cc(OC)c(OC)cc3C(O)=O)c(C)cc2c1

BDBM55143

COc1cccc(C(=O)NC(=S)Nn2cnnc2)c1OC

BDBM50385963

COc1cccc(C(O)=O)c1Nc1ccc(OCc2ccccc2)c(OC)c1

BDBM50385985

COc1cccc(C(O)=O)c1Nc1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O

BDBM50385986

COc1cccc(C(O)=O)c1Nc1ccccc1

BDBM50237013

COc1cccc(CCCN(Cc2ccc3OCOc3c2)c2nc(ncc2F)C#N)c1

BDBM19733

COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1

BDBM19737

COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1

BDBM50271695

COc1cccc(C[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C(=O)NCC#N)c1 |r|

BDBM50271694

COc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r|

BDBM35507

COc1cccc(Cn2c(nc3ccccc23)-c2nonc2N)c1

BDBM50463225

COc1cccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)c1

BDBM50463235

COc1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1

BDBM50609622

COc1cccc(\C=C\C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 |r|

BDBM50609618

COc1cccc(\C=C\C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1 |r|

BDBM50609623

COc1cccc(\C=C\C(=O)NC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 |r|

BDBM50609619

COc1cccc(\C=C\C(=O)NC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1 |r|

BDBM55116

COc1cccc(c1)-c1cc(C(=O)Nn2cnnc2)c2ccccc2n1

BDBM41285

COc1cccc(c1)-c1noc(n1)C1CCCN(C1)C(=O)Cc1ccccc1

BDBM19604

COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)CN1CCc2cc(F)ccc12 |r|

BDBM19612

COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CN1CCc2cc(F)ccc12)CC(O)=O |r|

BDBM19593

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCCN1CCc2cc(F)ccc12 |r|

BDBM19595

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)CN1CCc2cc(F)ccc12 |r|

BDBM19605

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCCN)CN1CCc2cc(F)ccc12 |r|

BDBM19606

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCN1CCOCC1)CN1CCc2cc(F)ccc12 |r|

BDBM19602

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCO)CN1CCc2cc(F)ccc12 |r|

BDBM19601

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CO)CN1CCc2cc(F)ccc12 |r|

BDBM19598

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc12 |r|

BDBM19599

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CSCc1ccccc1)CN1CCc2cc(F)ccc12 |r|

BDBM19594

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)C(C)C |r|

BDBM19608

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)CC(=O)OCc1ccccc1 |r|

BDBM19609

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)CC(O)=O |r|

BDBM19607

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)Cc1ccc(O)cc1 |r|

BDBM19597

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)Cc1ccccc1 |r|

BDBM19603

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)O |r|

BDBM19600

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)OCc1ccccc1 |r|

BDBM19596

COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)c1ccccc1 |r|

BDBM50397127

COc1cccc(c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM41130

COc1cccc(c1)N=C1NCC(=O)N1Cc1cccs1 |w:8.8|

BDBM50594612

COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r|

BDBM496896

COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N

BDBM420298

COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO

BDBM423462

COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O

BDBM50491153

COc1cccc2\C(CCCc12)=N\NC(N)=S

BDBM55137

COc1cccc2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)cc(C)nc12 |w:13.12|

BDBM41155

COc1ccccc1-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F

BDBM53796

COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1

BDBM41116

COc1ccccc1NC(=O)CCC(O)=O

BDBM41313

COc1ccccc1NC1=NC(N=C(N)N1)c1ccc(Cl)cc1 |t:10,13|

BDBM41117

COc1ccccc1OCC(=O)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1

BDBM41176

COc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCCN1CCCCCC1

BDBM50558307

COc1ccccc1\C=C\C=C\C(=O)c1ccc(O)cc1

BDBM50558306

COc1ccccc1\C=C\C=C\C(=O)c1cccnc1

BDBM32766

COc1ccccc1\N=C\c1nc(oc1OC(C)=O)-c1ccccc1

BDBM35514

COc1nc(nc(n1)N1CCCC1)N(CC(N)=O)C#N

BDBM50300776

COc1ncc(-c2cccc(CNc3nc(nc4n(CCCO)cnc34)C#N)c2)c(OC)n1

BDBM19633

CS(=O)(=O)CC[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|

BDBM19649

CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|

BDBM19716

CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|

BDBM19650

CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|

BDBM19492

CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM19496

CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM19495

CS(=O)(=O)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM19498

CS(=O)(=O)C[C@H](N[C@@H](c1cccc(F)c1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM19499

CS(=O)(=O)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM525152

CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|

BDBM50503646

CS(=O)(=O)\C=C\CNC(=O)COc1ccc(Br)cc1Br

BDBM50331779

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|

BDBM50233038

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F

BDBM50331776

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|

BDBM50233031

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F

BDBM50331775

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|

BDBM50331777

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|

BDBM50397120

CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50397124

CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM50263569

CS(=O)(=O)c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:10|

BDBM50491159

CS(=O)(=O)c1ccc2c(c1)\C(CCS2(=O)=O)=N\NC(N)=S

BDBM50703

CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|

BDBM50390396

CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM19494

CS(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM19497

CS(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM50121289

CSCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(C)C)C(=O)NCCc1ccccc1

BDBM50121301

CSCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1

BDBM50121292

CSCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCc1ccccc1

BDBM50121291

CSCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1

BDBM50121303

CSCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1

BDBM50121295

CSCCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CSC)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1

BDBM92334

CSCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C#N |r|

BDBM50137390

CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1

BDBM20091

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|

BDBM50463238

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|

BDBM50464763

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(=O)NCc1cn(nn1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|

BDBM50464766

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|

BDBM50137392

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O

BDBM50214539

CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(N)=O

BDBM50491296

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50574843

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)\C=C(/F)S(=O)(=O)c1ccccc1 |r|

BDBM50121296

CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O

BDBM50121302

CSC[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM19493

CSC[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM50011506

CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|

BDBM19532

CSc1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|

BDBM50263626

CSc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM210881

CSc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|

BDBM210877

CSc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|

BDBM50388846

CSc1ccc2SCCC(=NNC(N)=S)c2c1 |w:10.10|

BDBM50237019

CSc1cccc(c1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N

BDBM41145

CSc1nc(N2CCN(CCO)CC2)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1

BDBM41114

CSc1nc(cc(-c2cccs2)c1C#N)C1CC1

BDBM50401765

C[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)[C@H]1CC[C@H](C)CC1 |r,wU:9.10,22.24,1.0,wD:9.11,19.21,(18.92,-16.58,;18.21,-17.95,;19.04,-19.25,;19.87,-20.55,;16.66,-18.02,;15.81,-19.31,;14.34,-18.89,;14.26,-17.36,;15.7,-16.81,;13.13,-19.85,;12.34,-21.18,;11.79,-19.08,;10.45,-19.85,;10.45,-21.4,;9.23,-18.92,;7.75,-19.36,;6.87,-18.09,;7.81,-16.86,;9.27,-17.38,;13.88,-21.18,;13.11,-22.5,;13.86,-23.82,;15.39,-23.83,;16.15,-25.17,;16.16,-22.51,;15.41,-21.18,)|

BDBM50163832

C[C@@H](CC1CCCCC1)OC(=O)C1CCCN1C#N

BDBM50163831

C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N

BDBM50167297

C[C@@H](CC1CCCCC1)OC(=O)CN(C)C#N

BDBM50167290

C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C

BDBM50167289

C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N

BDBM50163838

C[C@@H](CC1CCCCC1)OC(=O)N[C@H]1CCN(C1)C#N

BDBM19628

C[C@@H](CN1C(=O)Cc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|

BDBM19687

C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|

BDBM19726

C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|

BDBM19627

C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|

BDBM19689

C[C@@H](CN1CC2(CC2)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|

BDBM19676

C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|

BDBM19659

C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 |r|

BDBM19724

C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|

BDBM19632

C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|

BDBM19625

C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|

BDBM19630

C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 |r|

BDBM19686

C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|

BDBM19725

C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|

BDBM19626

C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|

BDBM19685

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC(C)(C)C)C(=O)N1CCOCC1 |r|

BDBM19680

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|

BDBM19684

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 |r|

BDBM19657

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C |r|

BDBM19673

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(cc1)C(F)(F)F |r|

BDBM19720

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1 |r|

BDBM19651

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r|

BDBM19721

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)NC(=O)N1CCOCC1 |r|

BDBM19643

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|

BDBM19709

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOC1 |r|

BDBM19712

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1 |r|

BDBM19714

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|

BDBM19713

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCOCC1 |r|

BDBM19711

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@@H]1CCOC1 |r|

BDBM19710

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@H]1CCOC1 |r|

BDBM19708

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCO1 |r|

BDBM19707

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1 |r|

BDBM19658

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC(C)(C)C)CC(=O)N1CCOCC1 |r|

BDBM19654

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1 |r|

BDBM19723

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1 |r|

BDBM19722

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1 |r|

BDBM19623

C[C@@H](CNc1ccc(cc1)S(C)(=O)=O)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|

BDBM19624

C[C@@H](CNc1cccc(c1)S(C)(=O)=O)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|

BDBM50233036

C[C@@H](C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F

BDBM50152523

C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1

BDBM50137391

C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1

BDBM50395223

C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r|

BDBM50549382

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|

BDBM50549378

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|

BDBM50549383

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C#N |r|

BDBM50549370

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(nn1C)C(C)(C)C)C#N |r|

BDBM50549377

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|

BDBM50549379

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(cc1)-c1cccnc1)C#N |r|

BDBM50549381

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(cc1)-c1cncnc1)C#N |r|

BDBM50549375

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cccc(c1)-c1cccnc1)C#N |r|

BDBM50549369

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(nn1C)C(C)(C)C)C#N |r|

BDBM50549371

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(Br)cc1)C#N |r|

BDBM50549376

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|

BDBM50549380

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(cc1)-c1cncnc1)C#N |r|

BDBM50549372

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(Br)c1)C#N |r|

BDBM50549373

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(c1)-c1ccccc1)C#N |r|

BDBM50549374

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(c1)-c1cccnc1)C#N |r|

BDBM50549384

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(c1)-c1cncnc1)C#N |r|

BDBM50549368

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C#N |r|

BDBM50549366

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(Br)c1)C#N |r|

BDBM50549367

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(c1)-c1ccccc1)C#N |r|

BDBM50503650

C[C@@H](Oc1ccc(Br)cc1Br)C(=O)NC\C=C\S(C)(=O)=O |r|

BDBM50349200

C[C@@H]1CC[C@H](NC(=O)[C@@H](CC2(C)CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349201

C[C@@H]1CC[C@H](NC(=O)[C@@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349199

C[C@@H]1CC[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349210

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349212

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349207

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1 |r|

BDBM50349211

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349206

C[C@@H]1CC[C@H](NC(=O)[C@H](CC23CCC(CC2)C3(C)C)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349195

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2=CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r,t:10|

BDBM50349204

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCC(C)(C)CC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349196

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349197

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349205

C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50349202

C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|

BDBM50397132

C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|

BDBM50397139

C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2OCOc2c1 |r|

BDBM50397134

C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)nn(C)c2c1 |r|

BDBM50397136

C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)nnc(C)c2c1 |r|

BDBM50397135

C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)noc2c1 |r|

BDBM50397133

C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2n(C)nc(C)c2c1 |r|

BDBM50397140

C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM50397141

C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N)c1ccccc1 |r|

BDBM50417993

C[C@@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|

BDBM50401834

C[C@H](C#N)n1cc(nn1)[C@@H](NC(=O)c1ccsc1)C1CCCCC1 |r|

BDBM50401835

C[C@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CCCCC1 |r|

BDBM50401764

C[C@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)[C@H]1CC[C@H](C)CC1 |r,wU:9.10,22.24,wD:9.11,19.21,1.0,(18.92,-16.58,;18.21,-17.95,;19.04,-19.25,;19.87,-20.55,;16.66,-18.02,;15.81,-19.31,;14.34,-18.89,;14.26,-17.36,;15.7,-16.81,;13.13,-19.85,;12.34,-21.18,;11.79,-19.08,;10.45,-19.85,;10.45,-21.4,;9.23,-18.92,;7.75,-19.36,;6.87,-18.09,;7.81,-16.86,;9.27,-17.38,;13.88,-21.18,;13.11,-22.5,;13.86,-23.82,;15.39,-23.83,;16.15,-25.17,;16.16,-22.51,;15.41,-21.18,)|

BDBM50233034

C[C@H](C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F

BDBM20083

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|

BDBM50335275

C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|

BDBM50121032

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O

BDBM19785

C[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|

BDBM19793

C[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|

BDBM50395222

C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r|

BDBM122504

C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|

BDBM50491318

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50109171

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=O

BDBM50201257

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r|

BDBM50201259

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|

BDBM50602444

C[C@H](NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r|

BDBM50067607

C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O

BDBM240622

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1CC(N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130437

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130435

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130427

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130425

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130438

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(C)C1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130431

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(C1)C(=O)OC(C)(C)C)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130448

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(C1)C=O)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130450

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(CC(F)(F)F)C1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130447

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(CC(F)F)C1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM130432

C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CNC1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM103352

C[C@H]1CCC(CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,27.29,22.24,wD:1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|

BDBM103367

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1ccnc1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|

BDBM103366

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1ccnc1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|

BDBM103359

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,32.35,27.30,4.4,wD:1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|

BDBM103362

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,26.29,wD:1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|

BDBM103361

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|

BDBM103360

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|

BDBM103355

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,28.30,23.25,4.4,21.23,wD:1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|

BDBM103354

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,28.30,23.25,4.4,wD:21.23,1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|

BDBM103353

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,28.30,23.25,4.4,wD:21.23,1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|

BDBM50401763

C[C@H]1CC[C@@H](CC1)[C@](C)(NC(=O)c1ccsc1)c1cn(CC#N)nn1 |r,wU:7.8,1.0,wD:7.9,4.3,(16.15,-25.06,;15.39,-23.72,;13.86,-23.7,;13.11,-22.38,;13.88,-21.06,;15.41,-21.07,;16.16,-22.4,;13.13,-19.74,;12.34,-21.06,;11.79,-18.97,;10.45,-19.74,;10.45,-21.28,;9.23,-18.8,;7.75,-19.25,;6.87,-17.98,;7.81,-16.75,;9.27,-17.26,;14.34,-18.78,;15.81,-19.19,;16.67,-17.91,;18.21,-17.84,;19.04,-19.14,;19.87,-20.43,;15.7,-16.7,;14.26,-17.25,)|

BDBM50401762

C[C@H]1CC[C@@H](CC1)[C@](C)(NC(=O)c1ccsc1)c1cn(nn1)C(C)(C)C#N |r,wU:7.8,1.0,wD:7.9,4.3,(15.94,-24.03,;15.18,-22.68,;13.66,-22.67,;12.91,-21.35,;13.68,-20.03,;15.2,-20.03,;15.96,-21.37,;12.92,-18.71,;12.14,-20.03,;11.59,-17.94,;10.25,-18.71,;10.25,-20.25,;9.03,-17.77,;7.55,-18.21,;6.67,-16.95,;7.61,-15.72,;9.06,-16.23,;14.13,-17.75,;15.61,-18.16,;16.46,-16.87,;15.5,-15.67,;14.05,-16.21,;18,-16.8,;17.99,-15.26,;19.33,-16.02,;18.83,-18.11,;19.67,-19.4,)|

BDBM50401761

C[C@H]1CC[C@@H](CC1)[C@](C)(NC(=O)c1ccsc1)c1cn(nn1)C1(CC1)C#N |r,wU:7.8,1.0,wD:7.9,4.3,(16.14,-25.07,;15.38,-23.72,;13.85,-23.71,;13.1,-22.39,;13.87,-21.07,;15.4,-21.08,;16.15,-22.41,;13.12,-19.75,;12.33,-21.07,;11.78,-18.98,;10.45,-19.75,;10.45,-21.29,;9.22,-18.81,;7.75,-19.26,;6.87,-17.99,;7.8,-16.76,;9.26,-17.27,;14.33,-18.79,;15.8,-19.2,;16.66,-17.92,;15.69,-16.71,;14.25,-17.25,;18.19,-17.84,;18.95,-16.5,;19.73,-17.83,;19.03,-19.15,;19.86,-20.44,)|

BDBM50397131

C[C@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|

BDBM50397130

C[C@H]1CN(C[C@@H](C)N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|

BDBM50417996

C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cc(Br)ccc1Br |r|

BDBM50418000

C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|

BDBM50273257

C[C@](CN1CCCC1)(Cc1ccccc1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N |r|

BDBM50401760

C[C@](NC(=O)c1ccsc1)(C1CCCCC1)c1cn(nn1)C1(CC1)C#N |r|

BDBM34649

C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O

BDBM41132

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|

BDBM19812

C[NH2+][C@@H](CC(C)C)C(=O)N1CC(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)C1 |r|

BDBM92335

C[S+](C)CCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C#N |r|

BDBM50514676

C[n+]1ccccc1\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM674472

C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM50407712

C\C(=N/NC(N)=S)c1cccs1

BDBM54101

C\C(\C=C1/SC(=S)N(C(C(O)=O)c2ccccc2)C1=O)=C/c1ccccc1

BDBM41126

Cc1c(CN2CCOCC2)c(O)n(CC=C)c(=O)c1C#N

BDBM55165

Cc1c(Cl)cccc1NC(=O)Nn1cnnc1

BDBM60023

Cc1c(O)nc(SCC(=O)Nc2ccc3CCc4cccc2c34)n(-c2ccc(F)cc2)c1=O

BDBM60024

Cc1c(O)nc(SCC(=O)Nc2ccc3CCc4cccc2c34)n(-c2ccccc2)c1=O

BDBM55102

Cc1c(cnn1C)C(=O)c1n[o+]n([O-])c1C(=O)c1cnn(C)c1C

BDBM55112

Cc1c(oc2ccccc12)C(=O)Nn1cnnc1

BDBM59724

Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(c2)C(F)(F)F)n1

BDBM55151

Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1

BDBM47616

Cc1cc(=O)[nH]c2c(N=Nc3ccc(O)cc3)c(N)nn12 |w:8.7|

BDBM41330

Cc1cc(=O)[nH]c2cc(Cl)ccc12

BDBM60048

Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(Br)cc1

BDBM60040

Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(C)c(C)c1

BDBM60041

Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(C)cc1

BDBM60044

Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(F)cc1

BDBM60039

Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1

BDBM34512

Cc1cc(C)c2c(n1)sn(CC(=O)NCCCN1CCN(CC1)c1ccccc1F)c2=O

BDBM34492

Cc1cc(C)c2nc3sc(=Cc4ccc5n(C)c(=O)n(C)c5c4)c(=O)n3c2c1

BDBM50269860

Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1

BDBM32676

Cc1cc(C)cc(c1)C(=O)n1cnnc1N

BDBM41153

Cc1cc(C)n(CCC(=O)Nc2cccc(C)c2)n1

BDBM34221

Cc1cc(C)n2c(n[nH]c2=S)n1

BDBM46996

Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)no1

BDBM55106

Cc1cc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)no1

BDBM11318

Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

BDBM55100

Cc1cc(OCC(=O)Nn2cnnc2)ccc1Br

BDBM50237010

Cc1cc(OCCN(Cc2ccc3OCOc3c2)c2nc(ncc2F)C#N)cc(C)c1Cl

BDBM240626

Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130442

Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130441

Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130440

Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130439

Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM642838

Cc1cc(ccn1)-c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C3(C)CC3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM642835

Cc1cc(ccn1)-c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C3(C)CC3)C(=O)NCC#N)oc2c1 |r|

BDBM642836

Cc1cc(ccn1)-c1ccc2nc(C[C@H](NS(=O)(=O)c3cccc(Br)c3)C(=O)NCC#N)oc2c1 |r|

BDBM642837

Cc1cc(ccn1)-c1ccc2nc(C[C@H](NS(=O)(=O)c3cccc(Cl)c3)C(=O)NCC#N)oc2c1 |r|

BDBM50304283

Cc1cc2cc3OCOc3cc2c(n1)-c1ccc(N)cc1

BDBM50263591

Cc1cc2nn1CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:9|

BDBM59672

Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1

BDBM47001

Cc1ccc(C)c(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c1

BDBM41158

Cc1ccc(C=Nc2sc3CCCc3c2C#N)s1 |w:6.6|

BDBM50574830

Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Cc2ccccc2)cc1 |r|

BDBM50574819

Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)cc1 |r|

BDBM50574829

Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Cc2ccccc2)cc1 |r|

BDBM50574818

Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)cc1 |r|

BDBM55170

Cc1ccc(Cl)cc1NC(=O)Nn1cnnc1

BDBM55167

Cc1ccc(Cl)cc1NC(=S)Nn1cnnc1

BDBM39198

Cc1ccc(Cn2c(nc3ccccc23)-c2nonc2N)cc1

BDBM59683

Cc1ccc(NC(=O)CSc2nc3CCCc3c(=O)[nH]2)cc1C

BDBM60163

Cc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1C

BDBM41139

Cc1ccc(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c1

BDBM55175

Cc1ccc(NC(=S)Nn2cnnc2)c(C)c1

BDBM60045

Cc1ccc(Nc2nnc(SC3CCOC3=O)s2)c(C)c1

BDBM60032

Cc1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1

BDBM60030

Cc1ccc(Nc2nnc(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)s2)c(C)c1

BDBM60204

Cc1ccc(Nc2nnc(SCC(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)s2)cc1

BDBM59644

Cc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)c(C)c1

BDBM40658

Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc1C

BDBM59850

Cc1ccc(SCc2cc(=O)[nH][nH]2)cc1

BDBM50385980

Cc1ccc(cc1)-c1cc(O)c2ccccc2n1

BDBM50491284

Cc1ccc(cc1)-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|

BDBM55118

Cc1ccc(cc1)-n1c(O)c(C=Nn2cnnc2)c2ccccc2c1=O |w:12.13|

BDBM34737

Cc1ccc(cc1)-n1sc2ccccc2c1=O

BDBM50377596

Cc1ccc(cc1)C(=NNC(N)=S)c1cc(Cl)cc(Cl)c1 |w:8.9|

BDBM50377600

Cc1ccc(cc1)C(=NNC(N)=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:8.9|

BDBM50306670

Cc1ccc(cc1)C(=NNC(N)=S)c1ccc(Br)cc1 |w:8.9|

BDBM50306653

Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(Br)c1 |w:8.9|

BDBM50377593

Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(F)c1 |w:8.9|

BDBM50377597

Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(F)(F)F |w:8.9|

BDBM50377599

Cc1ccc(cc1)C(=NNC(N)=S)c1ccccc1 |w:8.9|

BDBM50397118

Cc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM41169

Cc1ccc(cc1)S(=O)(=O)NCCC(=O)NCCN1CCCCCC1

BDBM32665

Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N

BDBM32755

Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N

BDBM55123

Cc1ccc(cc1-c1[nH+]c([nH]c1-c1ccccc1)-[c-]1ccc(=O)c(O)c1)[N+]([O-])=O

BDBM34340

Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O

BDBM41118

Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccc2OCOc2c1

BDBM642842

Cc1ccc(cn1)-c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C3(C)CC3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM674490

Cc1ccc2OC(O)C(Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM50388842

Cc1ccc2SCCC(=NNC(N)=S)c2c1 |w:9.9|

BDBM210849

Cc1ccc2c(SC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)n1 |r,t:8|

BDBM50388860

Cc1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:13.15|

BDBM50460480

Cc1ccc2c(ccc(O)c2n1)[N+]([O-])=O

BDBM41131

Cc1ccc2nc([nH]c2c1)C(O)C(O)c1nc2ccc(C)cc2[nH]1

BDBM50300778

Cc1cccc(C)c1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM50491312

Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|

BDBM50107623

Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1

BDBM50107633

Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1

BDBM31993

Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r|

BDBM50107626

Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1

BDBM50271691

Cc1cccc(C[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C(=O)NCC#N)c1 |r|

BDBM50271689

Cc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r|

BDBM50574832

Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Cc2ccccc2)c1 |r|

BDBM50574821

Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)c1 |r|

BDBM50574840

Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)c2ccccc2)c1 |r|

BDBM50135541

Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1

BDBM50135533

Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1

BDBM50135535

Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1

BDBM50135544

Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(Cl)c(c2)C(O)=O)C#N)c1

BDBM50135534

Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1

BDBM50135540

Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1

BDBM50135536

Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1

BDBM50135542

Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1

BDBM41109

Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)S(=O)(=O)c2c[nH]cn2)c1C

BDBM44998

Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C

BDBM41142

Cc1cccc(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c1C

BDBM55136

Cc1cccc(NC(=S)Nn2cnnc2)c1C

BDBM60187

Cc1cccc(Nc2nnc(SC3CCOC3=O)s2)c1C

BDBM41288

Cc1cccc(OCC(=O)Nc2cc(C)c(C)cc2O)c1

BDBM50201704

Cc1cccc(O[C@@H]2CCNC[C@@H]2O)c1C

BDBM50201706

Cc1cccc(O[C@@H]2CCNC[C@H]2O)c1C

BDBM50201698

Cc1cccc(O[C@H]2CCN3C[C@@H]2OC3=O)c1C

BDBM50201701

Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C

BDBM240614

Cc1cccc(S[C@@H]2C[C@H](N(C2)C(=O)C2(CC2)c2ncc(Cl)cc2F)C(=O)NC2(CC2)C#N)n1 |r|

BDBM50491310

Cc1cccc(c1)-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|

BDBM50306648

Cc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1 |w:8.9|

BDBM138144

Cc1cccc(c1)C(=O)c1cccc(c1)C(=NNC(N)=S)c1cccc(C)c1 |w:16.18|

BDBM50128818

Cc1cccc(c1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1cccc(C)c1

BDBM642844

Cc1cccc(n1)-c1ccc2nc(C[C@H](NC(=O)c3cc(nn3C3CC3)C3(C)CC3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM642814

Cc1cccc(n1)C(=O)N[C@@H](Cc1nc2ccccc2o1)C(=O)NC1(CC1)C#N |r|

BDBM240618

Cc1cccc(n1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM50491299

Cc1ccccc1-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|

BDBM50268670

Cc1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

BDBM34849

Cc1ccccc1-n1sc2cc(F)ccc2c1=O

BDBM50306644

Cc1ccccc1C(=NNC(N)=S)c1cccc(Br)c1 |w:8.9|

BDBM47004

Cc1ccccc1NC(=O)C1CN(C(=O)C1)c1ccccc1F

BDBM60008

Cc1ccccc1Oc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1 |c:18|

BDBM41233

Cc1csc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)n1

BDBM50156090

Cc1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](O)[C@@H](O)[C@H]3O)c2n1

BDBM41376

Cc1nc(SCC(=O)NCc2ccccc2)c2c(n1)n(C)c(=O)n(C)c2=O

BDBM48455

Cc1nc(cs1)-c1ccc(O)c(O)c1

BDBM50390388

Cc1nc(sc1C)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50237036

Cc1nc2CCCCn2c(=O)c1CCN(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N

BDBM41165

Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)NCCN1CCCCCC1

BDBM55181

Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccccc1

BDBM240632

Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1Cl)C(=O)NC1(CC1)C#N |r|

BDBM240629

Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM240631

Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM240630

Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM642817

Cc1nn(cc1C(=O)N[C@@H](Cc1nc2cc(F)c(F)cc2o1)C(=O)NC1(CC1)C#N)C1CC1 |r|

BDBM642816

Cc1nn(cc1C(=O)N[C@@H](Cc1nc2ccccc2o1)C(=O)NC1(CC1)C#N)C1CC1 |r|

BDBM41146

Cc1nn2c(SCC#N)cc(C)nc2c1-c1ccccc1

BDBM50336045

Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)o1

BDBM55144

Cc1nnc(NNS(=O)(=O)c2ccc(Cl)cc2)[nH]c1=O

BDBM33538

Cc1nnc(SCc2nnc(o2)-c2ccccc2Br)n1-c1ccccc1

BDBM50414639

Cc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1

BDBM50414640

Cc1nnc(s1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1

BDBM41119

Cc1nnc2ccc(nn12)N1CCN(CC1)c1ccccn1

BDBM50336044

Cc1noc(C)c1CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1

BDBM50336046

Cc1noc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)n1

BDBM50237018

Cc1nsc(n1)N1CCC(CC1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N

BDBM60098

Cc1sc(NC(=O)C2CC(Cl)=CCC2C(O)=O)c(C#N)c1C |c:10|

BDBM50390394

Cc1sc(nc1C(F)(F)F)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM55114

Cc1scc(C(=O)Nn2cnnc2)c1-c1ccccc1

BDBM50602411

Cl.O=C1C=C(Nc2ccccc2N2CCNCC2)C2=NS(=O)(=O)c3cccc1c23 |t:2,19|

BDBM50602407

ClCC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)c1ccc(Cl)c(Cl)c1 |r|

BDBM50153290

Cl[Au](Cl)Cl

BDBM103365

Cl[C@@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1ccnc1)C1CCCCC1 |r|

BDBM103364

Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1ccnc1)C1CCCCC1 |r|

BDBM103358

Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1cnnn1)C1CCCCC1 |r|

BDBM103351

Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCCCC1 |r|

BDBM55110

Clc1cc(Br)ccc1NC(=O)Nn1cnnc1

BDBM59703

Clc1cc(NC(=O)CSc2nccc(=O)[nH]2)ccc1Br

BDBM210842

Clc1cc2C[C@H](NC(=O)C3CCCN3CC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:17|

BDBM50263576

Clc1cc2C[C@H](NC(=O)c3cc(-c4ccccc4)n(CC\C=C\COc1cc2)n3)C(=O)NC1(CC1)C#N |r,t:22|

BDBM210868

Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3NC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:19|

BDBM210839

Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|

BDBM210838

Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:19|

BDBM50263578

Clc1cc2C[C@H](NC(=O)c3cc(C4CC4)n(CC\C=C\COc1cc2)n3)C(=O)NC1(CC1)C#N |r,t:19|

BDBM210879

Clc1cc2C[C@H](NC(=O)c3cc(ccc3OCCCCOc1cc2)C#N)C(=O)NC1(CC1)C#N |r|

BDBM210873

Clc1cc2C[C@H](NC(=O)c3cc(ccc3OCCCCOc1cc2)C1CNC1)C(=O)NC1(CC1)C#N |r|

BDBM210870

Clc1cc2C[C@H](NC(=O)c3cc(ccc3OC\C=C\COc1cc2)C#N)C(=O)NC1(CC1)C#N |r,t:18|

BDBM210871

Clc1cc2C[C@H](NC(=O)c3cc(ccc3OC\C=C\COc1cc2)C1CNC1)C(=O)NC1(CC1)C#N |r,t:18|

BDBM210859

Clc1cc2C[C@H](NC(=O)c3cc4CCCCc4cc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|

BDBM210857

Clc1cc2C[C@H](NC(=O)c3cc4CCCCc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23|

BDBM50263570

Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23|

BDBM210836

Clc1cc2C[C@H](NC(=O)c3cccc(OC\C=C\COc1cc2)c3)C(=O)NC1(CC1)C#N |r,t:16|

BDBM210835

Clc1cc2C[C@H](NC(=O)c3ccccc3CC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|

BDBM210851

Clc1cc2C[C@H](NC(=O)c3ccccc3NC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|

BDBM210837

Clc1cc2C[C@H](NC(=O)c3ccccc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|

BDBM210834

Clc1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|

BDBM50263592

Clc1cc2C[C@H](NC(=O)c3cccn(C\C=C\COc1cc2)c3=O)C(=O)NC1(CC1)C#N |r,t:15|

BDBM50461261

Clc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1

BDBM50252547

Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1

BDBM50237035

Clc1ccc(CN(C2CCCCC2)c2nc(nc(n2)N2CCOCC2)C#N)cc1

BDBM50263683

Clc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263689

Clc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCOCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263650

Clc1ccc(C[C@H](NC(=O)c2cnn(n2)C2COC2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50252502

Clc1ccc(Cc2cc3cnc(nc3n2CC2CCCCC2)C#N)cc1

BDBM50252543

Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1

BDBM50252503

Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1

BDBM50252544

Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1

BDBM50252545

Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCCC2)C#N)cc1

BDBM50252504

Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1

BDBM50252597

Clc1ccc(Cc2cc3cnc(nc3n2CCN2CCCCC2)C#N)cc1

BDBM50252596

Clc1ccc(Cc2cc3cnc(nc3n2CCc2cccc(Cl)c2)C#N)cc1

BDBM50252546

Clc1ccc(Cc2cc3cnc(nc3n2CCc2ccccc2)C#N)cc1

BDBM55177

Clc1ccc(Cl)c(NC(=O)Nn2cnnc2)c1

BDBM55147

Clc1ccc(Cl)c(NC(=S)Nn2cnnc2)c1

BDBM55164

Clc1ccc(NC(=O)Nn2cnnc2)c(Cl)c1

BDBM55152

Clc1ccc(NC(=O)Nn2cnnc2)cc1Cl

BDBM59662

Clc1ccc(cc1)-c1cc(=O)[nH][nH]1

BDBM41159

Clc1ccc(cc1)-c1ccc(=O)n(CCC(=O)NCCCN2CCCCCC2)n1

BDBM41170

Clc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccco1)C(=O)Nc1ccc2OCOc2c1

BDBM50428488

Clc1ccc(cc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM122497

Clc1ccc(cc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(=O)C(=O)NC1CC1)S(=O)(=O)c1ccccc1Cl |r|

BDBM122500

Clc1ccc(cc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NC1CC1)S(=O)(=O)c1ccccc1Cl |r|

BDBM41190

Clc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)-c1ccccc1

BDBM59701

Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1

BDBM50589769

Clc1ccc(cc1Cl)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)c1cccnc1 |r|

BDBM50589770

Clc1ccc(cc1Cl)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)c1cncc2ccccc12 |r|

BDBM50263571

Clc1ccc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:15|

BDBM240597

Clc1ccc(nc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM210841

Clc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|

BDBM210861

Clc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3I |r|

BDBM210840

Clc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|

BDBM210858

Clc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3I |r,t:7|

BDBM210866

Clc1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r|

BDBM210863

Clc1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:8|

BDBM50263575

Clc1ccc2n3C\C=C\COc4ccc(C[C@H](NC(=O)c(cc2c1)c3=O)C(=O)NC1(CC1)C#N)cc4Cl |r,t:7|

BDBM31970

Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r|

BDBM55172

Clc1cccc(NC(=O)Nn2cnnc2)c1Cl

BDBM19828

Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|

BDBM46612

Clc1cccc(c1)-c1n[nH]c(=S)[nH]1

BDBM642802

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2c(Br)cccc2o1)C(=O)NC1(CC1)C#N |r|

BDBM642807

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2c(Cl)cccc2o1)C(=O)NC1(CC1)C#N |r|

BDBM642823

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2c(cccc2o1)-c1cn[nH]c1)C(=O)NC1(CC1)C#N |r|

BDBM642808

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2cc(Cl)ccc2o1)C(=O)NC1(CC1)C#N |r|

BDBM642809

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2ccc(Cl)cc2o1)C(=O)NC1(CC1)C#N |r|

BDBM642803

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2cccc(Br)c2o1)C(=O)NC1(CC1)C#N |r|

BDBM642805

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2cccc(C#N)c2o1)C(=O)NC1(CC1)C#N |r|

BDBM642806

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2cccc(Cl)c2o1)C(=O)NC1(CC1)C#N |r|

BDBM642801

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2ccccc2o1)C(=O)NC1(CC1)C#N |r|

BDBM642831

Clc1cccc(c1)C(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)NC1(CC1)C#N |r|

BDBM50568073

Clc1cccc(c1)S(=O)(=O)N(CC(=O)NCC#N)Cc1ccccc1

BDBM50560487

Clc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM50244703

Clc1cccc(n1)N1C(=O)C2=C(CCCC2)S1(=O)=O |t:11|

BDBM46611

Clc1ccccc1-c1n[nH]c(=S)[nH]1

BDBM31751

Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1

BDBM55162

Clc1ccccc1NC(=O)Nn1cnnc1

BDBM50560483

Clc1ccccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM50428487

Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Br)cc1)C(=O)NC1(CC1)C#N |r|

BDBM50428486

Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(I)cc1)C(=O)NC1(CC1)C#N |r|

BDBM642832

Cn1c(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NC2(CC2)C#N)nc2ccccc12 |r|

BDBM46998

Cn1c(Cn2nnc3ccccc23)nnc1SCC(=O)N1c2ccccc2Sc2ccccc12

BDBM56911

Cn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O

BDBM41370

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)N1CCN(Cc2ccccc2)CC1

BDBM30943

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1

BDBM41372

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCOCC1

BDBM41364

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCCCCC1

BDBM41368

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1

BDBM41374

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCOCC1

BDBM41375

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCc2ccccc2C1

BDBM50195235

Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|

BDBM35502

Cn1c2cn(c(-c3ccccc3)c2c(=O)n(C)c1=O)-n1cnnc1

BDBM50263580

Cn1cc(cn1)-c1cc2C[C@H](NC(=O)c3ccc(cc3OCCCCOc1cc2)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM240635

Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1Cl)C(=O)NC1(CC1)C#N |r|

BDBM240628

Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM240633

Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM240634

Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

BDBM130446

Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130445

Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130444

Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130443

Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM50414629

Cn1cc(cn1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1

BDBM50414624

Cn1cc(cn1)-c1cccc(CC(NC(=O)c2ccccc2)C(=O)NCC#N)c1

BDBM41147

Cn1cccc1CNCCc1ccccc1F

BDBM37590

Cn1cccc1Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccc(F)cc1

BDBM513874

Cn1cnc(Cn2c(=O)[nH]\c(=N/c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1

BDBM50336048

Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(CC2)S(C)(=O)=O)c(c1)C(F)(F)F)C#N

BDBM50336041

Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N

BDBM50323250

Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N

BDBM50568071

Cn1nc(cc1C(=O)N(CC(=O)N[C@@H](Cc1ccccc1)C#N)Cc1ccccc1)C(C)(C)C |r|

BDBM50414644

Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CCN)o1)C(=O)NCC#N)C(C)(C)C

BDBM50414643

Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C

BDBM50414642

Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CO)o1)C(=O)NCC#N)C(C)(C)C

BDBM50414637

Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnco1)C(=O)NCC#N)C(C)(C)C

BDBM50414638

Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nncs1)C(=O)NCC#N)C(C)(C)C

BDBM31992

Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r|

BDBM50554305

Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)C(C)(C)C |r|

BDBM50554304

Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N)C(C)(C)C |r|

BDBM50554306

Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N)C(F)(F)F |r|

BDBM642813

Cn1nc(cc1C(=O)N[C@@H](Cc1nc2ccccc2o1)C(=O)NC1(CC1)C#N)C(C)(C)C |r|

BDBM50263623

Cn1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM50414625

Cn1nccc1-c1cccc(CC(NC(=O)c2ccccc2)C(=O)NCC#N)c1

BDBM32102

Cn1ncnc2c1nc(=O)n(C)c2=O

BDBM50114049

FC(F)(F)C(=O)Nc1cc(Cl)ccc1C(=O)NC1(CCCCC1)C(=O)NCC#N

BDBM50173401

FC(F)(F)C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1

BDBM55105

FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2ccccc2O1

BDBM39633

FC(F)(F)C1(NC(=O)NCc2cccnc2)Oc2ccc(Cl)cc2O1

BDBM55125

FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N2CCOCC2)Oc2ccccc2O1

BDBM50263585

FC(F)(F)C1N[C@@H](Cc2ccc(OC\C=C\COc3ccccc13)c(Cl)c2)C(=O)NC1(CC1)C#N |r,t:14|

BDBM240598

FC(F)(F)COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|

BDBM130407

FC(F)(F)COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CNC1)c1ccc(Br)cn1)C(=O)NC1(CC1)C#N |r|

BDBM130406

FC(F)(F)COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CNC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|

BDBM50263688

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(Br)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263593

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(Cl)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263632

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccccc2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263624

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263687

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccncc2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263606

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CC(F)(F)C2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263608

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263648

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCCCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263604

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCNC2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263605

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCOCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM50263607

FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2COC2)C(=O)NC2(CC2)C#N)cc1Cl |r|

BDBM19675

FC(F)(F)Oc1ccc(NCCNC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)cc1 |r|

BDBM19642

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r|

BDBM19706

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCOC2)cc1 |r|

BDBM19717

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)N2CCOCC2)cc1 |r|

BDBM19705

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]2CCCO2)cc1 |r|

BDBM19702

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1 |r|

BDBM19700

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1 |r|

BDBM19703

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)cc1 |r|

BDBM19704

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccoc2)cc1 |r|

BDBM19718

FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCOCC2)cc1 |r|

BDBM19674

FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)C2CC2)cc1 |r|

BDBM19664

FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1 |r|

BDBM19648

FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)c2ccccc2)cc1 |r|

BDBM19683

FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1 |r|

BDBM19663

FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1 |r|

BDBM19647

FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r|

BDBM19656

FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CCC2CCCC2)CC(=O)N2CCOCC2)cc1 |r|

BDBM50463229

FC(F)(F)Oc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1

BDBM50463228

FC(F)(F)Oc1cccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)c1

BDBM50463224

FC(F)(F)Oc1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1

BDBM19501

FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM19510

FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM19514

FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM19511

FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM19513

FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1nc2ccccc2s1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM19512

FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1nccs1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM50502825

FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccc(Br)cc1 |r|

BDBM50502847

FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM50502829

FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C#N)c1ccccc1 |r|

BDBM50502830

FC(F)(F)[C@@H](N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM50502844

FC(F)(F)[C@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

BDBM50371568

FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCC=CS(=O)(=O)c2ccccc2)C1=O |w:37.39,t:18|

BDBM50257019

FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C#N)C1=O |r,t:18|

BDBM50371565

FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CCc2ccccc2)C=CS(=O)(=O)c2ccccc2)C1=O |w:46.50,t:18|

BDBM240624

FC(F)(F)c1ccc(Cl)c(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|

BDBM210867

FC(F)(F)c1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|

BDBM210864

FC(F)(F)c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:10|

BDBM50263590

FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3-c2cc[nH]n2)c1 |r|

BDBM50263581

FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3-c2cccnc2)c1 |r|

BDBM50263586

FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3-c2cncnc2)c1 |r|

BDBM210853

FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r|

BDBM50263583

FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3I)c1 |r|

BDBM210850

FC(F)(F)c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:11|

BDBM50263568

FC(F)(F)c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3I)c1 |r,t:11|

BDBM642811

FC(F)(F)c1ccc2nc(C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM642810

FC(F)(F)c1ccc2oc(C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)NC3(CC3)C#N)nc2c1 |r|

BDBM55166

FC(F)(F)c1cccc(NC(=O)Nn2cnnc2)c1

BDBM50573824

FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)c1

BDBM50573811

FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)N3CCNCC3)ncc2Cl)c1

BDBM50605244

FC(F)(F)c1cccc(Nc2nc(Nc3cccc(c3)-c3ccsc3)ncc2Cl)c1

BDBM50313476

FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N

BDBM50313524

FC(F)(F)c1cccc(c1)-n1nc(C#N)c(=O)n(CCCN2CCCCC2)c1=O

BDBM642812

FC(F)(F)c1cccc2nc(C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)NC3(CC3)C#N)oc12 |r|

BDBM50390393

FC(F)(F)c1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50390395

FC(F)(F)c1nc(sc1Cl)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM642818

FC(F)(F)c1nn(cc1C(=O)N[C@@H](Cc1nc2ccccc2o1)C(=O)NC1(CC1)C#N)C1CC1 |r|

BDBM130409

FC(F)CN1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl)c1ccc(Br)cn1 |r|

BDBM130408

FC(F)CN1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl)c1ccc(Cl)cn1 |r|

BDBM642828

FC(F)CN1CCC(=CC1)c1ccc2nc(C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)NC3(CC3)C#N)oc2c1 |r,c:7|

BDBM642819

FC(F)c1nn(cc1C(=O)N[C@@H](Cc1nc2ccccc2o1)C(=O)NC1(CC1)C#N)C1CC1 |r|

BDBM50263584

FC(F)n1cc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:16|

BDBM50263649

FC1(F)CC(C1)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM210844

FC1(F)CC2N(C1)CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:10|

BDBM50273216

FC1(F)CCC(CNc2nc(ncc2C(=O)NCCc2ccccc2)C#N)CC1

BDBM110185

FCC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM50249736

FCC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50491472

FCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM210843

F[C@H]1CC2N(C1)CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:9|

BDBM103357

F[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1cnnn1)C1CCCCC1 |r|

BDBM103350

F[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCCCC1 |r|

BDBM50574826

F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Cc1ccccc1 |r|

BDBM50574815

F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Oc1ccccc1 |r|

BDBM50592146

F\C(=C/[C@H](CCc1ccccc1)NC(=O)c1ccccc1CNC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 |r|

BDBM50592143

F\C(=C/[C@H](CCc1ccccc1)NC(=O)c1ccccc1CNC(=O)c1ccncc1)S(=O)(=O)c1ccccc1 |r|

BDBM50244754

Fc1c(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1F |t:10|

BDBM50428484

Fc1cc(Br)ccc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM240603

Fc1cc(Br)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM130417

Fc1cc(Br)cnc1C1(CNC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl |r|

BDBM130413

Fc1cc(Br)cnc1C1(CNC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM210878

Fc1cc(Cl)c2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|

BDBM50428485

Fc1cc(Cl)ccc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM240623

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F |r|

BDBM240625

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(Br)cc1Cl |r|

BDBM240617

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(Cl)cn1 |r|

BDBM240601

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl |r|

BDBM240627

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-c1ccnc(Cl)c1 |r|

BDBM240619

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cn1)C(F)(F)F |r|

BDBM240641

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1 |r|

BDBM240642

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1ccnn1 |r|

BDBM240643

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cncn1 |r|

BDBM240600

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM240613

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccn1 |r|

BDBM240620

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ncccc1C(F)(F)F |r|

BDBM240609

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ncccc1Cl |r|

BDBM240621

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1cc(ccc1Cl)C(F)(F)F |r|

BDBM240612

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(Cl)cn1 |r|

BDBM240615

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(cn1)C(F)(F)F |r|

BDBM240607

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccccn1 |r|

BDBM240611

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncc(cc1Cl)C(F)(F)F |r|

BDBM240616

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncccc1C(F)(F)F |r|

BDBM240605

Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncccc1Cl |r|

BDBM130418

Fc1cc(Cl)cnc1C1(CNC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl |r|

BDBM130412

Fc1cc(Cl)cnc1C1(CNC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM50263573

Fc1cc(F)c2OCC#CCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|

BDBM210874

Fc1cc(F)c2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|

BDBM50592134

Fc1cc(F)cc(c1)C(=O)NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1 |r|

BDBM50592125

Fc1cc(F)cc(c1)C(=O)NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r|

BDBM50428483

Fc1cc(I)ccc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|

BDBM240638

Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1 |r|

BDBM240639

Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1ccnn1 |r|

BDBM240640

Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cncn1 |r|

BDBM50385973

Fc1cc2[nH]c3ccc(OCc4ccccc4)cc3c(=O)c2cc1F

BDBM50237028

Fc1ccc(CCN(Cc2ccc3OCOc3c2)c2nc(ncc2F)C#N)cc1

BDBM50517914

Fc1ccc(CN(C2CCCC2)c2nc(nc(n2)N2CCOCC2)C#N)c(F)c1

BDBM50517907

Fc1ccc(CN(C2CCCC2)c2nc(nc(n2)N2CCOCC2)C#N)cc1

BDBM50410848

Fc1ccc(CN(CC2CCCNC2)c2nc(nc(n2)N2CCOCC2)C#N)cc1

BDBM59980

Fc1ccc(CN2CCc3nc(SCC(=O)Nc4ccc(F)cc4)[nH]c(=O)c3C2)cc1

BDBM41122

Fc1ccc(CNC(=O)C2CCC(=O)N2CCc2ccccc2)cc1

BDBM19503

Fc1ccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)cc1 |r|

BDBM50517896

Fc1ccc(F)c(CN(C2CCCC2)c2nc(nc(n2)N2CCOCC2)C#N)c1

BDBM59732

Fc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1Cl

BDBM55174

Fc1ccc(NC(=O)Nn2cnnc2)cc1Cl

BDBM19640

Fc1ccc(NCCNC(=O)C[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1 |r|

BDBM19641

Fc1ccc(NCCNC(=O)C[C@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1 |r|

BDBM19639

Fc1ccc(NCCNC(=O)[C@@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r|

BDBM19638

Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r|

BDBM19619

Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3cc(Cl)ccc3o2)cc1 |r|

BDBM19616

Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3cc(F)ccc3o2)cc1 |r|

BDBM19618

Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccc(Cl)cc3o2)cc1 |r|

BDBM19617

Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccc(F)cc3o2)cc1 |r|

BDBM19620

Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 |r|

BDBM19615

Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 |r|

BDBM50463236

Fc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1

BDBM50463231

Fc1ccc(Nc2nc(nc(n2)N2CCOCC2)C#N)cc1

BDBM240610

Fc1ccc(c(Cl)c1)S(=O)(=O)C1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM240606

Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130430

Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM130429

Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM19486

Fc1ccc(c(F)c1F)-c1ccccc1OCC=O

BDBM60070

Fc1ccc(cc1)-c1cc(=O)[nH][nH]1

BDBM50560501

Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM50263572

Fc1ccc(cc1)-c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:14|

BDBM240604

Fc1ccc(cc1)-c1cccc(S[C@@H]2C[C@H](N(C2)C(=O)C2(CC2)c2ncc(Cl)cc2F)C(=O)NC2(CC2)C#N)c1 |r|

BDBM50560485

Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM240608

Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM55139

Fc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1 |w:12.13|

BDBM50263684

Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(C#N)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM50263634

Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM50263647

Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1(CC1)C#N |r|

BDBM50263633

Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM50263640

Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OCC2CC2)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM50263690

Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OCC2CCC2)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM50263642

Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1(CC1)C#N |r|

BDBM50271710

Fc1ccc(cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NCC#N |r|

BDBM50271684

Fc1ccc(cc1)C(=O)N[C@@H](CC1CC1)C(=O)NCC#N |r|

BDBM50271709

Fc1ccc(cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N |r|

BDBM50491481

Fc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1

BDBM50237031

Fc1ccc(cc1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N

BDBM50390404

Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50397119

Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM19502

Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM19506

Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM19505

Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1cccc(F)c1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM19507

Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1ccccc1-c1ccccc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM19515

Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM19509

Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|

BDBM50263625

Fc1ccc(cn1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|

BDBM19677

Fc1ccc2N(CCNC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1 |r|

BDBM19629

Fc1ccc2N(CCNC(=O)[C@H](CC3CCCCC3)Nc3nc4ccccc4o3)CCc2c1 |r|

BDBM19679

Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1 |r|

BDBM19631

Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)[C@H](CC3CCCCC3)Nc3nc4ccccc4o3)CCc2c1 |r|

BDBM210865

Fc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|

BDBM210880

Fc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1F)C(=O)NC1(CC1)C#N)cc3Cl |r|

BDBM210876

Fc1ccc2OC\C=C/COc3ccc(C[C@H](NC(=O)c2c1F)C(=O)NC1(CC1)C#N)cc3Cl |r,c:7|

BDBM210862

Fc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|

BDBM210875

Fc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1F)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|

BDBM50395224

Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50395225

Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|

BDBM642804

Fc1ccc2nc(C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)NC3(CC3)C#N)oc2c1 |r|

BDBM50517898

Fc1cccc(CN(C2CCCC2)c2nc(nc(n2)N2CCOCC2)C#N)c1

BDBM53650

Fc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1

BDBM19504

Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F |r|

BDBM50121044

Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1

BDBM50517897

Fc1cccc(F)c1CN(C1CCCC1)c1nc(nc(n1)N1CCOCC1)C#N

BDBM50463234

Fc1cccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)c1

BDBM50463222

Fc1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1

BDBM19701

Fc1cccc(c1)-c1ccc(o1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r|

BDBM87123

Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1

BDBM50099713

Fc1ccccc1C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

BDBM41314

Fc1ccccc1COC(=O)c1ccc2OCCOc2c1

BDBM37283

Fc1ccccc1COc1ccc(C=Nn2cnnc2)cc1 |w:14.15|

BDBM40309

Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1

BDBM47005

Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1

BDBM41151

Fc1ccccc1S(=O)(=O)N(Cc1ccco1)Cc1nnc(o1)-c1ccccc1Br

BDBM240637

Fc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM240636

Fc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|

BDBM50244705

Fc1cnc(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1 |t:8|

BDBM50237021

Fc1cnc(nc1N(CC1CC1)Cc1ccc2OCOc2c1)C#N

BDBM50237034

Fc1cnc(nc1N(CC1CCCC1)Cc1ccc2OCOc2c1)C#N

BDBM50237046

Fc1cnc(nc1N(CCC(F)(F)F)Cc1ccc2OCOc2c1)C#N

BDBM50237024

Fc1cnc(nc1N(CCC1CCOCC1)Cc1ccc2OCOc2c1)C#N

BDBM50237014

Fc1cnc(nc1N(CCCc1ccc(Cl)cc1)Cc1ccc2OCOc2c1)C#N

BDBM50237012

Fc1cnc(nc1N(CCCc1noc(n1)-c1ccccc1)Cc1ccc2OCOc2c1)C#N

BDBM50237009

Fc1cnc(nc1N(CCOc1ccc(Cl)cc1)Cc1ccc2OCOc2c1)C#N

BDBM50237015

Fc1cnc(nc1N(CCOc1ccc2ccccc2c1)Cc1ccc2OCOc2c1)C#N

BDBM50237011

Fc1cnc(nc1N(CCOc1ccccc1)Cc1ccc2OCOc2c1)C#N

BDBM50237037

Fc1cnc(nc1N(CCc1cccc(Br)c1)Cc1ccc2OCOc2c1)C#N

BDBM50237016

Fc1cnc(nc1N(CCc1cccc(c1)C#N)Cc1ccc2OCOc2c1)C#N

BDBM50237041

Fc1cnc(nc1N(CCc1ccccc1)Cc1ccc2OCOc2c1)C#N

BDBM50237026

Fc1cnc(nc1N(CCc1ccccn1)Cc1ccc2OCOc2c1)C#N

BDBM50237025

Fc1cnc(nc1N(CCc1ccncc1)Cc1ccc2OCOc2c1)C#N

BDBM50237020

Fc1cnc(nc1N(CCc1ccsc1)Cc1ccc2OCOc2c1)C#N

BDBM50237042

Fc1cnc(nc1N(Cc1ccc(Cl)cc1)Cc1ccc2OCOc2c1)C#N

BDBM50237045

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)C1CCCCC1)C#N

BDBM50237029

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)C1CCSCC1)C#N

BDBM50237043

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)[C@H]1CC[C@@H](CC1)C(F)(F)F)C#N |r,wU:18.20,wD:21.27,(77.53,-14.62,;78.87,-13.85,;78.88,-12.31,;80.22,-11.55,;81.54,-12.34,;81.54,-13.88,;80.19,-14.63,;80.18,-16.17,;78.85,-16.93,;78.84,-18.47,;80.16,-19.25,;80.16,-20.79,;78.81,-21.55,;78.48,-23.06,;76.95,-23.21,;76.33,-21.8,;77.48,-20.78,;77.49,-19.24,;81.51,-16.96,;82.85,-16.19,;84.18,-16.98,;84.17,-18.52,;82.83,-19.27,;81.5,-18.5,;85.49,-19.3,;85.48,-20.84,;86.83,-18.54,;86.82,-20.07,;82.88,-11.57,;84.23,-10.82,)|

BDBM50237030

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)[C@H]1CC[C@H](CC1)C(F)(F)F)C#N |r,wU:18.20,21.27,(77.53,-14.62,;78.87,-13.85,;78.88,-12.31,;80.22,-11.55,;81.54,-12.34,;81.54,-13.88,;80.19,-14.63,;80.18,-16.17,;78.85,-16.93,;78.84,-18.47,;80.16,-19.25,;80.16,-20.79,;78.81,-21.55,;78.48,-23.06,;76.95,-23.21,;76.33,-21.8,;77.48,-20.78,;77.49,-19.24,;81.51,-16.96,;82.85,-16.19,;84.18,-16.98,;84.17,-18.52,;82.83,-19.27,;81.5,-18.5,;85.49,-19.3,;85.48,-20.84,;86.83,-18.54,;86.82,-20.07,;82.88,-11.57,;84.23,-10.82,)|

BDBM50237023

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1ccc(OCC(F)(F)F)cc1)C#N

BDBM50237040

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1ccc(OCC2CC2)cc1)C#N

BDBM50237022

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1ccc(Oc2cccnc2)cc1)C#N

BDBM50237017

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1cccc(OCc2ccccc2)c1)C#N

BDBM50237044

Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1ccccc1)C#N

BDBM50237039

Fc1cnc(nc1N(Cc1ccccc1)Cc1ccc2OCOc2c1)C#N

BDBM50244751

Fc1nc(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c1F |t:11|

BDBM50244756

Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F

BDBM210860

Ic1cc2C[C@H](NC(=O)c3ccccc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|

BDBM210854

Ic1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|

BDBM50568072

Ic1cccc(c1)C(=O)N(CC(=O)NCC#N)Cc1ccccc1

BDBM41315

N#CCSc1ncnc2sc3CCCc3c12

BDBM50095483

N#CN1CC(C1)OCC1CCCCC1

BDBM50095486

N#CN1CC(C1)OCc1ccccc1

BDBM50418003

N#CN1CCC(CCc2ccccc2)C1

BDBM50095490

N#CN1CCC(COCc2ccccc2)C1

BDBM50095485

N#CN1CCC1

BDBM50095495

N#CN1CCCC1

BDBM50095488

N#CN1Cc2cc3ccccc3nc2C1

BDBM41341

N#C\C(Sc1nc2ccccc2s1)=C/c1ccco1

BDBM50197927

N#Cc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1

BDBM50313479

N#Cc1nc(CCCN2CCCCC2)cc(n1)C1CCCCCC1

BDBM50156088

N#Cc1nc(NC2CCCCC2)c2ncn(C3CCCC3)c2n1

BDBM50313480

N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1

BDBM50156086

N#Cc1nc(Nc2ccccc2OCCCn2ccnc2)c2ncn(C3CCCC3)c2n1

BDBM50505321

N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1ccc2OCOc2c1)C1CCCCC1

BDBM50517913

N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1cccnc1)C1CCCC1

BDBM50517895

N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1ccncc1)C1CCCC1

BDBM50517917

N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1ccncn1)C1CCCC1

BDBM50517906

N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1cnccn1)C1CCCC1

BDBM50517883

N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1ncccn1)C1CCCC1

BDBM35520

N#Cc1nc(nc(n1)N1CCOCC1)N1CCCCC1

BDBM41167

N#Cc1nc(nc(n1)N1CCOCC1)N1CCOCC1

BDBM50252600

N#Cc1ncc2cc(CC3CCCCC3)n(CCC3CCCCC3)c2n1

BDBM50252652

N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1

BDBM50252654

N#Cc1ncc2cc(COc3ccccc3)n(CCC3CCCCC3)c2n1

BDBM50252655

N#Cc1ncc2cc(COc3ccccn3)n(CCC3CCCCC3)c2n1

BDBM50252656

N#Cc1ncc2cc(CSc3ccncc3)n(CCC3CCCCC3)c2n1

BDBM41379

N=C1Oc2c(sc3ccccc23)C(C1C#N)c1ccco1

BDBM50121297

NC(=N)NCCCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1

BDBM50121305

NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NCCc1ccccc1

BDBM50121286

NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1

BDBM50121290

NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1

BDBM50121293

NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1

BDBM50121298

NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCc1ccccc1

BDBM50121304

NC(=N)NCCC[C@@H](NC(=O)C(CO)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O

BDBM50121299

NC(=N)NCCC[C@@H](NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1

BDBM50121300

NC(=N)NCCC[C@@H](NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O

BDBM50090645

NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)C=O

BDBM50491298

NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50464764

NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(N)=O |r|

BDBM50464765

NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)n1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)c2ccc(N)cc2)nn1)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(N)=O |r|

BDBM50491162

NC(=N)N\N=C1/CCS(=O)(=O)c2ccc(cc12)[N+]([O-])=O

BDBM50491142

NC(=N)N\N=C1/CCSc2ccc(cc12)[N+]([O-])=O

BDBM50112833

NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C=Cc1ccc2ccccc2c1 |w:23.25|

BDBM50121294

NC(=O)CC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O

BDBM47003

NC(=O)CSc1nnc2sc3ccccc3n12

BDBM50491322

NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50491316

NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50251889

NC(=O)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1

BDBM50251888

NC(=O)c1cccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c1

BDBM50286430

NC(=O)c1cn(-c2ccc(O)cc2)c2cc(ccc2c1=O)-c1ccncc1

BDBM50286434

NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccncc1

BDBM50330048

NC(=S)NN=C(C1CCCCC1)c1cccc(Br)c1 |w:4.3|

BDBM50377595

NC(=S)NN=C(C=Cc1ccccc1)c1cccc(c1)C(F)(F)F |w:6.5,4.3|

BDBM50377592

NC(=S)NN=C(CCc1ccccc1)c1cc(Cl)cc(Cl)c1 |w:4.3|

BDBM50377594

NC(=S)NN=C(CCc1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3|

BDBM50377590

NC(=S)NN=C(CCc1ccccc1)c1cccc(Cl)c1 |w:4.3|

BDBM50377589

NC(=S)NN=C(CCc1ccccc1)c1cccc(F)c1 |w:4.3|

BDBM50377591

NC(=S)NN=C(CCc1ccccc1)c1ccccc1 |w:4.3|

BDBM50330051

NC(=S)NN=C(Cc1ccccc1)c1ccccc1 |w:4.3|

BDBM138145

NC(=S)NN=C(c1cc(Br)cc(c1)C(=O)c1ccccc1F)c1ccccc1F |w:4.3|

BDBM50330042

NC(=S)NN=C(c1cc(Br)cs1)c1cccc(Br)c1 |w:4.3|

BDBM50306669

NC(=S)NN=C(c1ccc(Br)cc1)c1ccc(cc1)C(F)(F)F |w:4.3|

BDBM50306651

NC(=S)NN=C(c1ccc(Br)cc1)c1cccc(Br)c1 |w:4.3|

BDBM138153

NC(=S)NN=C(c1ccc(Br)cc1)c1cccc(c1)C(=NNC(N)=S)c1ccc(Br)cc1 |w:4.3,20.22|

BDBM50306665

NC(=S)NN=C(c1ccc(Br)cc1)c1ccccc1Br |w:4.3|

BDBM50306664

NC(=S)NN=C(c1ccc(Br)cc1)c1ccccc1F |w:4.3|

BDBM50330046

NC(=S)NN=C(c1ccc(Br)nc1)c1cccc(Br)c1 |w:4.3|

BDBM50330043

NC(=S)NN=C(c1ccc(Br)s1)c1cccc(Br)c1 |w:4.3|

BDBM50306667

NC(=S)NN=C(c1ccc(Cl)cc1)c1ccc(Br)cc1 |w:4.3|

BDBM50306650

NC(=S)NN=C(c1ccc(Cl)cc1)c1cccc(Br)c1 |w:4.3|

BDBM50306666

NC(=S)NN=C(c1ccc(F)cc1)c1ccc(Br)cc1 |w:4.3|

BDBM50306649

NC(=S)NN=C(c1ccc(F)cc1)c1cccc(Br)c1 |w:4.3|

BDBM138146

NC(=S)NN=C(c1ccc(F)cc1)c1cccc(c1)C(=O)c1ccc(F)cc1 |w:4.3|

BDBM50306674

NC(=S)NN=C(c1ccc(F)cc1)c1ccccc1F |w:4.3|

BDBM50306652

NC(=S)NN=C(c1ccc(cc1)C(F)(F)F)c1cccc(Br)c1 |w:4.3|

BDBM50306655

NC(=S)NN=C(c1cccc(Br)c1)c1c(F)cccc1F |w:4.3|

BDBM50306657

NC(=S)NN=C(c1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 |w:4.3|

BDBM50306661

NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)c(F)c(F)c1 |w:4.3|

BDBM50306662

NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)c(F)c(F)c1F |w:4.3|

BDBM50306656

NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)cc(F)c1 |w:4.3|

BDBM50330036

NC(=S)NN=C(c1cccc(Br)c1)c1cc(O)cc(Br)c1 |w:4.3|

BDBM50306658

NC(=S)NN=C(c1cccc(Br)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3|

BDBM50306660

NC(=S)NN=C(c1cccc(Br)c1)c1ccc(F)c(Br)c1 |w:4.3|

BDBM50330034

NC(=S)NN=C(c1cccc(Br)c1)c1ccc(O)c(Br)c1 |w:4.3|

BDBM50330049

NC(=S)NN=C(c1cccc(Br)c1)c1ccc2CCCCc2c1 |w:4.3|

BDBM50306659

NC(=S)NN=C(c1cccc(Br)c1)c1cccc(Br)c1F |w:4.3|

BDBM50330038

NC(=S)NN=C(c1cccc(Br)c1)c1cccc(Br)c1O |w:4.3|

BDBM50306654

NC(=S)NN=C(c1cccc(Br)c1)c1cccc(F)c1F |w:4.3|

BDBM50330032

NC(=S)NN=C(c1cccc(Br)c1)c1cccc(OCc2ccccc2)c1 |w:4.3|

BDBM50306647

NC(=S)NN=C(c1cccc(Br)c1)c1cccc(c1)C(F)(F)F |w:4.3|

BDBM50306643

NC(=S)NN=C(c1cccc(Br)c1)c1ccccc1Br |w:4.3|

BDBM50306642

NC(=S)NN=C(c1cccc(Br)c1)c1ccccc1Cl |w:4.3|

BDBM50306641

NC(=S)NN=C(c1cccc(Br)c1)c1ccccc1F |w:4.3|

BDBM50330047

NC(=S)NN=C(c1cccc(Br)c1)c1cccnc1Br |w:4.3|

BDBM50306646

NC(=S)NN=C(c1cccc(Cl)c1)c1cccc(Br)c1 |w:4.3|

BDBM50306645

NC(=S)NN=C(c1cccc(F)c1)c1cccc(Br)c1 |w:4.3|

BDBM50330030

NC(=S)NN=C(c1cccc(O)c1)c1cccc(Br)c1 |w:4.3|

BDBM138154

NC(=S)NN=C(c1ccccc1)c1cc(cc(c1)C(=O)c1ccccc1)C(=O)c1ccccc1 |w:4.3|

BDBM50330029

NC(=S)NN=C(c1ccccc1)c1cccc(O)c1 |w:4.3|

BDBM138143

NC(=S)NN=C(c1ccccc1)c1cccc(c1)C(O)c1ccccc1 |w:18.20,4.3|

BDBM50306663

NC(=S)NN=C(c1ccccc1)c1ccccc1F |w:4.3|

BDBM50330044

NC(=S)NN=C(c1ccccc1)c1cccnc1 |w:4.3|

BDBM50330045

NC(=S)NN=C(c1cccnc1)c1cccc(Br)c1 |w:4.3|

BDBM50377601

NC(=S)NN=C(c1cccs1)c1cc(Cl)cc(Cl)c1 |w:4.3|

BDBM50377598

NC(=S)NN=C(c1cccs1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3|

BDBM50330040

NC(=S)NN=C(c1cccs1)c1ccccc1 |w:4.3|

BDBM50330041

NC(=S)NN=C(c1sccc1Br)c1cccc(Br)c1 |w:4.3|

BDBM50388858

NC(=S)NN=C1CCS(=O)(=O)c2c(Br)cc(F)cc12 |w:4.3|

BDBM50388859

NC(=S)NN=C1CCS(=O)(=O)c2c(F)cc(Br)cc12 |w:4.3|

BDBM50388857

NC(=S)NN=C1CCS(=O)(=O)c2c(F)cc(F)cc12 |w:4.3|

BDBM50388856

NC(=S)NN=C1CCS(=O)(=O)c2cc(F)c(F)cc12 |w:4.3|

BDBM50189278

NC(=S)NN=C1CCS(=O)(=O)c2ccc(Br)cc12 |w:4.3|

BDBM50388855

NC(=S)NN=C1CCS(=O)(=O)c2ccc(Cl)cc12 |w:4.3|

BDBM50388854

NC(=S)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:4.3|

BDBM50388834

NC(=S)NN=C1CCS(=O)(=O)c2ccc(O)cc12 |w:4.3|

BDBM50388833

NC(=S)NN=C1CCS(=O)(=O)c2ccc(OC(F)(F)F)cc12 |w:4.3|

BDBM50388832

NC(=S)NN=C1CCS(=O)(=O)c2ccc(cc12)C(F)(F)F |w:4.3|

BDBM50388835

NC(=S)NN=C1CCS(=O)(=O)c2ccc(cc12)[N+]([O-])=O |w:4.3|

BDBM50388840

NC(=S)NN=C1CCSc2c(Br)cc(F)cc12 |w:4.3|

BDBM50388841

NC(=S)NN=C1CCSc2c(F)cc(Br)cc12 |w:4.3|

BDBM50388839

NC(=S)NN=C1CCSc2c(F)cc(F)cc12 |w:4.3|

BDBM50388849

NC(=S)NN=C1CCSc2c(OC(F)(F)F)cccc12 |w:4.3|

BDBM50388838

NC(=S)NN=C1CCSc2cc(F)c(F)cc12 |w:4.3|

BDBM50388837

NC(=S)NN=C1CCSc2ccc(Br)cc12 |w:4.3|

BDBM50388864

NC(=S)NN=C1CCSc2ccc(F)cc12 |w:4.3|

BDBM50388852

NC(=S)NN=C1CCSc2ccc(N)cc12 |w:4.3|

BDBM50388850

NC(=S)NN=C1CCSc2ccc(O)cc12 |w:4.3|

BDBM50388848

NC(=S)NN=C1CCSc2ccc(OC(F)(F)F)cc12 |w:4.3|

BDBM50388847

NC(=S)NN=C1CCSc2ccc(cc12)C(F)(F)F |w:4.3|

BDBM50388851

NC(=S)NN=C1CCSc2ccc(cc12)[N+]([O-])=O |w:4.3|

BDBM50388863

NC(=S)NN=C1CCSc2ccc3ccccc3c12 |w:4.3|

BDBM50128821

NC(=S)N\N=C(/c1cc(Br)cc(c1)C(=O)c1ccccc1F)c1ccccc1F

BDBM50232475

NC(=S)N\N=C(/c1cc(O)cc(O)c1)c1cc(Br)cc(Br)c1

BDBM50128814

NC(=S)N\N=C(/c1ccc(Br)cc1)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(Br)cc1

BDBM50128813

NC(=S)N\N=C(/c1ccc(Br)cc1)c1cccc(c1)C(=O)c1ccc(Br)cc1

BDBM50128812

NC(=S)N\N=C(/c1ccc(F)cc1)c1cccc(c1)C(=O)c1ccc(F)cc1

BDBM50128816

NC(=S)N\N=C(/c1ccc(O)cc1)c1cccc(c1)C(=O)c1ccc(O)cc1

BDBM50128822

NC(=S)N\N=C(/c1cccc(Br)c1)c1cc(Br)cc(c1)C(=O)c1cccc(Br)c1

BDBM50128819

NC(=S)N\N=C(/c1cccc(Br)c1)c1cc(O)cc(c1)C(=O)c1cccc(Br)c1

BDBM50232473

NC(=S)N\N=C(/c1cccc(O)c1)c1cc(Br)cc(Br)c1

BDBM50128820

NC(=S)N\N=C(/c1cccc(O)c1)c1cc(Br)cc(c1)C(=O)c1cccc(O)c1

BDBM50128810

NC(=S)N\N=C(/c1ccccc1)c1cc(cc(c1)C(=O)c1ccccc1)C(=O)c1ccccc1

BDBM50128809

NC(=S)N\N=C(/c1ccccc1)c1cccc(c1)C(=O)c1ccccc1

BDBM50128811

NC(=S)N\N=C(/c1ccccc1)c1cccc(c1)C(O)c1ccccc1

BDBM50491150

NC(=S)N\N=C1/CC(Nc2ccccc2)c2ccc(Br)cc12

BDBM50491144

NC(=S)N\N=C1/CC(Oc2ccccc12)c1ccccc1

BDBM50491145

NC(=S)N\N=C1/CCCCc2ccccc12

BDBM50491158

NC(=S)N\N=C1/CCCS(=O)(=O)c2cc(F)c(F)cc12

BDBM50491140

NC(=S)N\N=C1/CCCS(=O)(=O)c2ccc(cc12)[N+]([O-])=O

BDBM50491141

NC(=S)N\N=C1/CCCSc2ccc(cc12)[N+]([O-])=O

BDBM50491147

NC(=S)N\N=C1/CCCc2c(O)cccc12

BDBM50491146

NC(=S)N\N=C1/CCCc2cc(N)ccc12

BDBM50491134

NC(=S)N\N=C1/CCN(c2ccc(cc12)[N+]([O-])=O)[N+]([O-])=O

BDBM50491157

NC(=S)N\N=C1/CCN(c2ccccc12)[N+]([O-])=O

BDBM50491149

NC(=S)N\N=C1/CCNc2c(Cc3ccccc3)cccc12

BDBM50491155

NC(=S)N\N=C1/CCNc2c1cc(cc2[N+]([O-])=O)[N+]([O-])=O

BDBM50491138

NC(=S)N\N=C1/CCNc2ccc(Br)cc12

BDBM50491135

NC(=S)N\N=C1/CCNc2ccc(cc12)[N+]([O-])=O

BDBM50491160

NC(=S)N\N=C1/CCNc2ccccc12

BDBM50491154

NC(=S)N\N=C1/CCOc2ccc(Cl)cc12

BDBM50491143

NC(=S)N\N=C1/CCS(=O)(=O)c2ccc(N)cc12

BDBM50491163

NC(=S)N\N=C1/CC[S+]([O-])c2ccc(cc12)[N+]([O-])=O

BDBM50491139

NC(=S)N\N=C1/CCc2ccc(Br)cc12

BDBM50491152

NC(=S)N\N=C1/CCc2ccccc2C1

BDBM50598448

NC(=S)N\N=C\c1ccc(Cc2ccccc2)o1

BDBM50598454

NC(=S)N\N=C\c1ccc(o1)-c1ccc(C(O)=O)c(O)c1

BDBM55131

NC(N[N+]([O-])=O)=NN=Cc1ccc(O)cc1O |w:7.6,1.0|

BDBM50491309

NC(O)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50011502

NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|

BDBM50270029

NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N |r|

BDBM50270030

NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[CH-][N+]#N |r|

BDBM453318

NCCCCC(NC(=O)C1CCCC1)C(=O)COC(C(F)(F)F)C(F)(F)F

BDBM553804

NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F

BDBM453289

NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)cccc1F

BDBM453308

NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1

BDBM453293

NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1F

BDBM453306

NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)ccc1F

BDBM453307

NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1

BDBM453305

NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1F

BDBM453290

NCCCCC(NC(=O)C1CCCC1)C(=O)COc1ccccc1F

BDBM453331

NCCCCC(NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1

BDBM453330

NCCCCC(NC(=O)c1ccccn1)C(=O)COc1c(F)ccc(F)c1F

BDBM397464

NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r|

BDBM453275

NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F |r|

BDBM50491294

NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491297

NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491293

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491305

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491307

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491321

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1cccc(N)c1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491295

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491288

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491283

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1=CCCC1)C(N)=O |r,t:21|

BDBM50491314

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCN1)C(N)=O |r|

BDBM50491292

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1)C(N)=O |r|

BDBM50491303

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)C(N)=O |r|

BDBM50491308

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491325

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491311

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491291

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491300

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50491320

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(N)=O |r|

BDBM50491319

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(ccc1Cl)[N+]([O-])=O)C(N)=O |r|

BDBM50491306

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(N)=O |r|

BDBM50491286

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)nc1)C(N)=O |r|

BDBM50491302

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1)C(N)=O |r|

BDBM50491290

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1)C(N)=O |r|

BDBM50491287

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(N)=O |r|

BDBM50491281

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O)C(N)=O |r|

BDBM50461259

NCCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|

BDBM50491317

NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM55121

NCCc1ccc(O)c(O)c1

BDBM50032698

N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|

BDBM525256

N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|

BDBM50310690

N[C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N |r|

BDBM50491324

N[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|

BDBM50425017

Nc1c(Br)cc([N+]([O-])=O)c2ccccc12

BDBM59781

Nc1cc(=O)nc(SCC(=O)Nc2ccc3ccccc3c2)n1CC=C

BDBM50114048

Nc1cc(Br)ccc1C(=O)NC1(CCCCC1)C(=O)NCC#N

BDBM50114047

Nc1cc(Cl)ccc1C(=O)NC1(CCCCC1)C(=O)NCC#N

BDBM32756

Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1

BDBM32783

Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1

BDBM32784

Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1

BDBM50605252

Nc1ccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)cc1

BDBM50114024

Nc1ccc(cc1F)C(=O)NC1(CCCCC1)C(=O)NCC#N

BDBM50099737

Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

BDBM32047

Nc1ccc2ncccc2c1N

BDBM32061

Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1

BDBM50303409

Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)C#N

BDBM35522

Nc1nc2N=C3CCCCC3C3(CCCCC3)n2n1 |t:4|

BDBM55108

Nc1nncn1C(=O)CCCOc1ccc(Cl)cc1Cl

BDBM35488

Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1

BDBM35518

Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCN(CC1)c1ccc(F)cc1

BDBM35524

Nc1nonc1-c1nc2ccccc2n1CCOC=C

BDBM35490

Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM41107

Nc1nonc1-c1noc(n1)-c1ccc(Br)o1

BDBM35495

Nc1nonc1-c1noc(n1)N1CCCCC1

BDBM41105

Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccccc1F

BDBM41096

Nc1nonc1C(=O)OCC(=O)N1CCOCC1

BDBM34163

Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N

BDBM41182

O=C(C1CCN(CC1)c1nnc(s1)-n1cccc1)N1CCN(Cc2ccc3OCOc3c2)CC1

BDBM41168

O=C(C1CCN(CC1)c1nnc(s1)N1CCCC1=O)N1CCN(Cc2ccc3OCOc3c2)CC1

BDBM41299

O=C(CC(c1ccco1)c1ccccc1)N1CCOCC1

BDBM41175

O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCCCC1

BDBM41150

O=C(CCCc1cccs1)Nc1nc2CCCCc2s1

BDBM50121908

O=C(CCc1ccccc1)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM50568064

O=C(CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1)NCC#N

BDBM50568061

O=C(CN(Cc1ccccc1)C(=O)c1ccccc1)NCC#N

BDBM20082

O=C(CNC(=O)OCc1ccccc1)NCC#N

BDBM50137399

O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1

BDBM35499

O=C(CNC(=O)c1ccco1)OC(C(=O)c1ccccc1)c1ccccc1

BDBM35513

O=C(CNC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O

BDBM20117

O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCC#N

BDBM41347

O=C(COc1cccc(NC(=O)C2CCCCC2)c1)N1CCOCC1

BDBM50176994

O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1CCOC1 |r|

BDBM41160

O=C(CSc1nc2ccccc2[nH]1)NCCN1CCCCC1

BDBM55103

O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nn1cnnc1

BDBM35497

O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)Nc1ccccc1

BDBM60035

O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O

BDBM55101

O=C(CSc1nnc(o1)-c1ccccc1)Nn1cnnc1

BDBM55115

O=C(CSc1nnc[nH]1)Nc1nc(ns1)-c1ccccc1

BDBM55098

O=C(CSc1nnc[nH]1)OCN1C(=O)c2ccccc2C1=O

BDBM50107635

O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCC#N

BDBM41343

O=C(N1CCN(CC1)c1ccccn1)c1ccccc1CCc1ccccc1

BDBM34544

O=C(NC(CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1 |r|

BDBM50121034

O=C(NC(Cc1ccccc1)C(=O)NC1[C@@H]2OCCN2C1=O)OCc1ccccc1

BDBM50560486

O=C(NC1(CC1)C#N)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|

BDBM50461246

O=C(NC1(CC1)C#N)[C@@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50397123

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|

BDBM50390406

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1 |r|

BDBM50390387

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)C1CC1 |r|

BDBM50390401

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCCc2s1 |r|

BDBM50390402

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCOCc2s1 |r|

BDBM50390391

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|

BDBM50390398

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cccnc2s1 |r|

BDBM50390399

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccncc2s1 |r|

BDBM50390405

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r|

BDBM50390400

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ncccc2s1 |r|

BDBM50390390

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nccs1 |r|

BDBM50263579

O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OCCCCOc3ccccc3C(=O)N1)c(c2)-c1cc[nH]n1 |r|

BDBM50263582

O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OCCCCOc3ccccc3C(=O)N1)c(c2)-c1cccnc1 |r|

BDBM210833

O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\CCc3ccccc3C(=O)N1)cc2 |r,t:17|

BDBM210832

O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\COc3cccc(c3)C(=O)N1)cc2 |r,t:17|

BDBM210831

O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\COc3ccccc3C(=O)N1)cc2 |r,t:17|

BDBM50401768

O=C(NC1(CC1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|

BDBM50461254

O=C(NC1(CC1)C#N)[C@H](Cc1ccc(O[C@@H]2CCNC2)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50461262

O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50502835

O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|

BDBM50560484

O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50560502

O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|

BDBM50461258

O=C(NC1(CC1)C#N)[C@H](Cc1ccccn1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50461247

O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50461253

O=C(NC1(CC1)C#N)[C@H](Cc1ccncc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50461252

O=C(NC1(CC1)C#N)[C@H](Cc1cscn1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50461251

O=C(NC1(CC1)C#N)[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50554294

O=C(NC1(CCCC1)C(=O)NC1(CC1)C#N)c1ccccc1

BDBM50554293

O=C(NC1(CCCC1)C(=O)NCC#N)c1ccccc1

BDBM50410608

O=C(NC1(CCCCC1)C(=O)NCC#N)OCc1ccccc1

BDBM50240981

O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1

BDBM19857

O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(n1)N1CCOCC1

BDBM50168955

O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1noc(n1)-c1cccs1

BDBM19858

O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)N1CCOCC1

BDBM50129073

O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1

BDBM50129072

O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1

BDBM50095491

O=C(NC1CCN(C1)C#N)OCc1ccccc1

BDBM50095499

O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1

BDBM50095492

O=C(NC1CCN(C1)C#N)c1ccccc1

BDBM50414631

O=C(NCC#N)C(Cc1cccc(c1)-c1cc[nH]n1)NC(=O)c1ccccc1

BDBM50414632

O=C(NCC#N)C(Cc1cccc(c1)-c1ccccn1)NC(=O)c1ccccc1

BDBM50414627

O=C(NCC#N)C(Cc1cccc(c1)-c1cccnc1)NC(=O)c1ccccc1

BDBM50414633

O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1

BDBM50414626

O=C(NCC#N)C(Cc1cccc(c1)-c1ccncc1)NC(=O)c1ccccc1

BDBM50414634

O=C(NCC#N)C(Cc1cccc(c1)-c1ccnnc1)NC(=O)c1ccccc1

BDBM50414630

O=C(NCC#N)C(Cc1cccc(c1)-c1cn[nH]c1)NC(=O)c1ccccc1

BDBM50414628

O=C(NCC#N)C(Cc1cccc(c1)-c1cncnc1)NC(=O)c1ccccc1

BDBM50414635

O=C(NCC#N)C(Cc1cccc(c1)-c1nnco1)NC(=O)c1ccccc1

BDBM50414636

O=C(NCC#N)C(Cc1cccc(c1)-c1nncs1)NC(=O)c1ccccc1

BDBM50554291

O=C(NCC#N)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|

BDBM50395232

O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCC=CC1 |r,c:18|

BDBM50395229

O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCCCC1 |r|

BDBM50397125

O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccc(cc1)C#N |r|

BDBM50395226

O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|

BDBM50395228

O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 |r|

BDBM19817

O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1ccccc1 |r|

BDBM19859

O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 |r|

BDBM50554295

O=C(NCC#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 |r|

BDBM50554297

O=C(NCC#N)[C@H](Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)c1ccccc1 |r|

BDBM50168937

O=C(NCC#N)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50168939

O=C(NCC#N)[C@H](Cc1cccc(c1)-c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50107622

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1

BDBM50554303

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(=O)[nH]c1=O |r|

BDBM20120

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM20119

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|

BDBM50554302

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccco1 |r|

BDBM50554301

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1cccs1 |r|

BDBM50554299

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|

BDBM50554298

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1cncnc1 |r|

BDBM642815

O=C(NCC#N)[C@H](Cc1nc2ccccc2o1)NC(=O)c1cc(nn1C1CC1)C1CC1 |r|

BDBM50095497

O=C(NCC1CCCN1C#N)c1ccccc1

BDBM50095487

O=C(NCC1CN(C1)C#N)C1CCCCC1

BDBM50095498

O=C(NCC1CN(C1)C#N)c1ccccc1

BDBM40634

O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1nnc(s1)-n1cccc1

BDBM41179

O=C(NCCCN1CCc2ccccc2C1)C1CCN(CC1)c1nnc(s1)-n1cccc1

BDBM19734

O=C(NCCc1ccc(cc1)N1CCCC1)c1cnc(nc1NC1CCCCC1)C#N

BDBM19731

O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N

BDBM50273218

O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N

BDBM50273176

O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCCCC1)C#N

BDBM50273178

O=C(NCCc1ccccc1)c1cnc(nc1OCC1CCCCC1)C#N

BDBM50592133

O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1)c1ccc2OCCOc2c1 |r|

BDBM50592132

O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1)c1ccncc1 |r|

BDBM50592126

O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1ccccc1 |r|

BDBM50592123

O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1ccncc1 |r|

BDBM53691

O=C(NCc1ccco1)C1CCCN(C1)S(=O)(=O)c1cccc2nonc12

BDBM41354

O=C(NCc1ccco1)c1cccc(c1)-c1nnc(o1)-c1ccccc1

BDBM35487

O=C(NCc1cccs1)C(OC(=O)c1cccs1)c1ccccn1

BDBM54140

O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1

BDBM53985

O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1

BDBM50032805

O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1 |w:36.39|

BDBM50032802

O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34|

BDBM53205

O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|

BDBM103356

O=C(N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1cccc(c1)-n1cnnn1 |r|

BDBM103349

O=C(N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1 |r|

BDBM50401836

O=C(N[C@@H](C1CCCCC1)c1cn(nn1)C1(CC1)C#N)c1ccsc1 |r|

BDBM103348

O=C(N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1 |r|

BDBM50121039

O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1

BDBM50137386

O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1

BDBM50503647

O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

BDBM50273255

O=C(N[C@@H](CN1CCCC1)Cc1ccccc1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N |r|

BDBM50273256

O=C(N[C@@H](CN1CCCC1)Cc1ccccn1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N |r|

BDBM50011505

O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCCN1 |r|

BDBM50121042

O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1

BDBM50119312

O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCCc2ccccc2)CC1=O)OCc1ccccc1

BDBM50119313

O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCc2ccccc2)CC1=O)OCc1ccccc1

BDBM50119309

O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(Cc2ccccc2)CC1=O)OCc1ccccc1

BDBM20096

O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r|

BDBM50108858

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1

BDBM50258541

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C#N)OCc1ccccc1 |r|

BDBM50258523

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)OCc1ccccc1 |r|

BDBM50514684

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r|

BDBM50108856

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1

BDBM50084652

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[CH-][N+]#N)OCc1ccccc1

BDBM50514673

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r|

BDBM50514672

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r|

BDBM50121913

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1

BDBM50121911

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1

BDBM50121905

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OCc1ccccc1)OCc1ccccc1

BDBM50121912

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1

BDBM50121902

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1

BDBM50121907

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1

BDBM50121033

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1

BDBM50121043

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1

BDBM50121030

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1

BDBM50121036

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2SCCN2C1=O)OCc1ccccc1

BDBM50121904

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1

BDBM50121903

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Sc1ccccc1)OCc1ccccc1

BDBM50121037

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1

BDBM50121041

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1

BDBM50121035

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2=O)C1=O)OCc1ccccc1

BDBM50121028

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1

BDBM50121040

O=C(N[C@@H](Cc1cccnc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1

BDBM50121038

O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1

BDBM50417990

O=C(N[C@@H]1CCN(C1)C#N)Nc1ccccc1 |r|

BDBM50121029

O=C(N[C@H](C(=O)N[C@H]1[C@H]2OCCN2C1=O)c1ccccc1)OCc1ccccc1

BDBM50137387

O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1

BDBM50273254

O=C(N[C@H](CN1CCCC1)Cc1ccccc1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N |r|

BDBM50137394

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1

BDBM50137400

O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1

BDBM50002374

O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2ccccc2o1

BDBM50002402

O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc2ccccc12

BDBM50002367

O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2o1

BDBM41115

O=C(Nc1ccc(Nc2ccccc2)cc1)C1CC1

BDBM41292

O=C(Nc1ccc(cc1)-n1cnnn1)C1CCCN1C(=O)NC1CCCCC1

BDBM429289

O=C(Nc1ccc2C(=O)c3ccccc3C(=O)c2c1)c1ccccc1

BDBM41106

O=C(Nc1sccc1C#N)c1cnccn1

BDBM53664

O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1

BDBM53972

O=C(Nn1c(nc2ccccc2c1=O)C1CCC1)c1cccs1

BDBM55132

O=C(Nn1cnnc1)C=Cc1ccccc1 |w:9.10|

BDBM55111

O=C(Nn1cnnc1)c1ccccc1-c1ccccc1

BDBM55113

O=C(Nn1cnnc1)c1csc2ccccc12

BDBM32768

O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccco1

BDBM50099710

O=C1C(=O)c2cccnc2-c2ccccc12

BDBM35498

O=C1CC(Cc2nc(ncc12)N1CCc2ccccc2C1)c1ccco1

BDBM54124

O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/c1cccs1

BDBM50244755

O=C1N(c2cc[nH+]cc2)S(=O)(=O)C2=C1CCCC2 |c:13|

BDBM55148

O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 |(8.1,-1.07,;9.64,-1.07,;10.41,-2.41,;11.95,-2.41,;12.72,-3.74,;12.72,-1.07,;11.95,.26,;12.72,1.59,;10.41,.26,;9.64,1.59,;8.1,1.59,;7.2,.35,;5.75,.82,;4.41,.05,;3.08,.82,;3.08,2.36,;4.41,3.13,;5.75,2.36,;7.2,2.83,)|

BDBM50201705

O=C1O[C@@H]2CN1CC[C@@H]2OCc1ccccc1

BDBM50201700

O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1

BDBM50084674

O=CC(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM50067601

O=C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNS(=O)(=O)c1cccc2ccccc12

BDBM50067610

O=C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12

BDBM484194

O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OCc1ccccc1

BDBM50067589

O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)Cc1ccccc1

BDBM50067595

O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1

BDBM50067611

O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1

BDBM50067602

O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1

BDBM50286450

O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM35501

O=S(=O)(N1CCOCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM50095489

O=S(=O)(NC1CCN(C1)C#N)c1ccccc1

BDBM50095496

O=S(=O)(NCC1CCCN1C#N)c1ccccc1

BDBM50095494

O=S(=O)(NCC1CCN(C1)C#N)c1ccccc1

BDBM50095493

O=S(=O)(NCC1CN(C1)C#N)c1ccccc1

BDBM34323

O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|

BDBM55124

O=S(=O)(Nn1cnnc1)c1ccccc1

BDBM50325648

O=S(Cc1ccccc1)SCc1ccccc1

BDBM50325649

O=S(SC1CCCCC1)C1CCCCC1

BDBM55145

O=c1[nH]c(CSc2nnc[nH]2)nc2ccccc12

BDBM34182

O=c1[nH]c(Nc2ccccc2)cc2ccccc12

BDBM50385966

O=c1c2ccccc2[nH]c2cc(OCc3ccccc3)ccc12

BDBM41867

O=c1cc([nH][nH]1)-c1cccc2ccccc12

BDBM53779

OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O

BDBM50589771

OC(=O)C(F)(F)F.O=C(NCc1ccco1)C1CN(CCN1)C(=O)c1cc(=O)[nH]c(=O)[nH]1

BDBM60118

OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCCc2c1C#N |t:5|

BDBM60127

OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCc2c1C#N |t:5|

BDBM59715

OC(=O)C1CC=CCC1C(=O)Nc1cc(Cl)ccc1Cl |c:5|

BDBM59994

OC(=O)C1CC=CCC1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 |c:5|

BDBM59771

OC(=O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1 |c:5|

BDBM60071

OC(=O)C1CC=CCC1C(=O)Nc1sc2CCCCCCc2c1C#N |c:5|

BDBM41355

OC(=O)CC12CSc3[nH]c(=O)sc3C1c1ccccc1OC2=O

BDBM53906

OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|

BDBM53805

OC(=O)CCC(=O)N1N=C(CC1c1ccco1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|

BDBM53832

OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|

BDBM59855

OC(=O)CCCCCNC(=O)Nc1ccc2OCCOc2c1

BDBM26598

OC(=O)CCc1ccc(-c2ccc(F)cc2)n1CC(O)=O

BDBM50251887

OC(=O)CCc1cccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c1

BDBM50168945

OC(=O)CCn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|

BDBM50168947

OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|

BDBM50168941

OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|

BDBM50099717

OC(=O)CNC(=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

BDBM55097

OC(=O)CSc1nnc[nH]1

BDBM19635

OC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|

BDBM19634

OC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 |r|

BDBM60092

OC(=O)Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1

BDBM60087

OC(=O)Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1

BDBM50168942

OC(=O)Cn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|

BDBM50168948

OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|

BDBM50168940

OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|

BDBM50168946

OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|

BDBM55096

OC(=O)c1c[nH]nc1-n1cnnn1

BDBM50385987

OC(=O)c1cc(F)c(F)cc1Nc1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O

BDBM50385988

OC(=O)c1cc(F)c(F)cc1Nc1ccc(OCc2ccccc2)cc1

BDBM50385983

OC(=O)c1cc(ccc1Nc1ccc(OCc2ccccc2)cc1)[N+]([O-])=O

BDBM50385990

OC(=O)c1cc(ccc1Nc1cccc(OCc2ccccc2)c1)[N+]([O-])=O

BDBM50385961

OC(=O)c1cc(ccc1Nc1ccccc1)[N+]([O-])=O

BDBM50385984

OC(=O)c1cc2ccccc2cc1Nc1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O

BDBM50100861

OC(=O)c1ccc(O)c(O)c1

BDBM50251886

OC(=O)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1

BDBM50135539

OC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)Nc2ccccc2)C#N)c1

BDBM60091

OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1

BDBM41111

OC(=O)c1ccccc1C(=O)NCc1ccc(F)cc1

BDBM41333

OC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F

BDBM50385989

OC(=O)c1ccccc1Nc1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O

BDBM35910

OC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1

BDBM47006

OC(COc1ccc(cc1)C1CCC=C1)CN1CCCCC1 |c:14|

BDBM429290

OC(COc1cccc(OCC(O)CN2CCCCC2)c1)CN1CCCCC1

BDBM55159

OC(Cn1cnnc1)c1ccccc1

BDBM41171

OC1(Cc2ccccc2)N(C2CCCCC2)C(=O)c2ccccc12

BDBM50088347

OC1CC(CC(O)C1OC(=O)\C=C/c1ccc(O)c(O)c1)(OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O |(15.05,-16.52,;15.01,-17.81,;17.21,-17.81,;18.36,-19.35,;17.21,-20.79,;15.01,-20.79,;15.01,-22.3,;13.89,-19.35,;13.89,-20.72,;12.55,-21.55,;11.17,-20.79,;12.55,-23.21,;11.29,-23.94,;10.01,-23.12,;10.01,-21.68,;8.68,-20.98,;7.43,-21.74,;6.08,-21.04,;7.43,-23.21,;6.12,-23.98,;8.73,-23.91,;18.36,-20.91,;19.71,-21.65,;21.08,-20.95,;19.71,-23.22,;20.99,-23.87,;22.27,-22.99,;22.27,-21.34,;23.45,-20.5,;24.9,-21.25,;26.26,-20.6,;24.9,-23.05,;26.28,-23.65,;23.64,-23.68,;18.36,-17.81,;19.77,-16.98,;17.63,-16.39,)|

BDBM674488

OC1Oc2ccccc2CC1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

BDBM50300775

OCCCn1cnc2c(NCc3cccc(c3)-c3c(F)c(F)c(F)c(F)c3F)nc(nc12)C#N

BDBM50258404

OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N

BDBM50300783

OCCCn1cnc2c(NCc3cccc(c3)-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)nc(nc12)C#N

BDBM50268502

OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(C=C)cc3)nc(nc12)C#N

BDBM50258405

OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)c(Cl)c3)nc(nc12)C#N

BDBM50268445

OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)cc3)nc(nc12)C#N

BDBM50300772

OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4[nH]ccc4c3)nc(nc12)C#N

BDBM50300773

OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4cc[nH]c4c3)nc(nc12)C#N

BDBM50268553

OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4ccccc4c3)nc(nc12)C#N

BDBM50268501

OCCCn1cnc2c(NCc3cccc(c3)-c3cccc(C=C)c3)nc(nc12)C#N

BDBM50300781

OCCCn1cnc2c(NCc3cccc(c3)-c3cccc(Cl)c3)nc(nc12)C#N

BDBM50268668

OCCCn1cnc2c(NCc3cccc(c3)-c3ccccc3)nc(nc12)C#N

BDBM50300785

OCCCn1cnc2c(NCc3cccc(c3)-c3ccccc3C(F)(F)F)nc(nc12)C#N

BDBM50300777

OCCCn1cnc2c(NCc3cccc(c3)-c3ccccc3Cl)nc(nc12)C#N

BDBM50268616

OCCCn1cnc2c(NCc3cccc(c3)-c3cccnc3)nc(nc12)C#N

BDBM50268554

OCCCn1cnc2c(NCc3cccc(c3)-c3ccco3)nc(nc12)C#N

BDBM50268556

OCCCn1cnc2c(NCc3cccc(c3)-c3cccs3)nc(nc12)C#N

BDBM50268555

OCCCn1cnc2c(NCc3cccc(c3)-c3ccoc3)nc(nc12)C#N

BDBM50268557

OCCCn1cnc2c(NCc3cccc(c3)-c3ccsc3)nc(nc12)C#N

BDBM50300784

OCCCn1cnc2c(NCc3cccc(c3)-c3cn(c4ccccc34)S(=O)(=O)c3ccccc3)nc(nc12)C#N

BDBM19678

OC[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|

BDBM50156091

OCc1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](O)[C@@H](O)[C@H]3O)c2n1

BDBM50197887

O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1 |r|

BDBM50463227

O[C@@H](CNc1nc(nc(n1)N1CCOCC1)C#N)c1ccccc1 |r|

BDBM50609638

O[C@@H](COC[C@@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OCc1ccccc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609634

O[C@@H](COC[C@@H](Cc1ccccc1)NC(=O)c1ccncc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609626

O[C@@H](COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609630

O[C@@H](COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609640

O[C@@H](COC[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OCc1ccccc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609636

O[C@@H](COC[C@H](Cc1ccccc1)NC(=O)c1ccncc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609628

O[C@@H](COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609632

O[C@@H](COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM23417

O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM50463232

O[C@H](CNc1nc(nc(n1)N1CCOCC1)C#N)c1ccccc1 |r|

BDBM50609639

O[C@H](COC[C@@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OCc1ccccc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609635

O[C@H](COC[C@@H](Cc1ccccc1)NC(=O)c1ccncc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609627

O[C@H](COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609631

O[C@H](COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609641

O[C@H](COC[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OCc1ccccc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609637

O[C@H](COC[C@H](Cc1ccccc1)NC(=O)c1ccncc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609629

O[C@H](COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50609633

O[C@H](COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCN(CC1)c1ccccc1C#N |r|

BDBM50463144

O[C@H](\C=C\C(O)=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50011508

O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|

BDBM50156089

O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)nc(nc12)C#N

BDBM53091

Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O

BDBM55104

Oc1c(C=Nn2cnnc2)c2ccccc2c(=O)n1-c1ccccc1 |w:4.4|

BDBM50425030

Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12

BDBM50503648

Oc1c(I)cc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1I |r|

BDBM50460502

Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NC1(CC1)C#N

BDBM50460481

Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC#N

BDBM50460493

Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2o1

BDBM59659

Oc1cc(=O)[nH]c(SCC(=O)Nc2ccc3CCCc3c2)n1

BDBM60057

Oc1cc(=O)n(c(SCC(=O)Nc2ccc3CCc4cccc2c34)n1)-c1ccccc1

BDBM7460

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

BDBM110195

Oc1cc(O)cc(c1)C(=O)\C=C\c1ccccc1

BDBM110194

Oc1cc(O)cc(c1)C(=O)\C=C\c1ccco1

BDBM110193

Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1

BDBM110197

Oc1cc(O)cc(c1)C(=O)\C=C\c1ccoc1

BDBM110196

Oc1cc(O)cc(c1)C(=O)\C=C\c1ccsc1

BDBM50385979

Oc1cc(nc2ccccc12)-c1ccc(F)cc1

BDBM48563

Oc1cc(nc2ccccc12)-c1ccccc1

BDBM50385974

Oc1cc(nc2ccccc12)-c1ccco1

BDBM50491467

Oc1ccc(C(=O)\C=C\c2ccc(F)cc2)c(O)c1

BDBM50558313

Oc1ccc(C(=O)\C=C\c2ccc(O)c3ccccc23)c(O)c1

BDBM50491473

Oc1ccc(C(=O)\C=C\c2ccc(cc2)N2CCCC2)c(O)c1

BDBM110188

Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1

BDBM110187

Oc1ccc(C(=O)\C=C\c2cccnc2)c(O)c1

BDBM110190

Oc1ccc(C(=O)\C=C\c2ccco2)c(O)c1

BDBM110189

Oc1ccc(C(=O)\C=C\c2cccs2)c(O)c1

BDBM110186

Oc1ccc(C(=O)\C=C\c2ccncc2)c(O)c1

BDBM55150

Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O |w:6.6,8.8|

BDBM40728

Oc1ccc(C=NNC(=O)COc2ccccc2C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:21.21,6.6|

BDBM55158

Oc1ccc(C=Nn2cncn2)cc1O |w:6.6|

BDBM55156

Oc1ccc(CCNC(=O)C2COc3ccccc3O2)cc1O

BDBM55155

Oc1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1O

BDBM53037

Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1O

BDBM50137398

Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1

BDBM50084650

Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C=O)cc1

BDBM50554296

Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)cc1 |r|

BDBM3973

Oc1ccc(O)c(\C=C\NC=O)c1

BDBM29687

Oc1ccc(O)c(c1)-c1cnns1

BDBM55173

Oc1ccc(\C=C\C(=O)NC(=O)c2ccccc2O)cc1O

BDBM110192

Oc1ccc(\C=C\C(=O)c2ccco2)c(O)c1

BDBM50558310

Oc1ccc(\C=C\C(=O)c2ccco2)c2ccccc12

BDBM110191

Oc1ccc(\C=C\C(=O)c2cccs2)c(O)c1

BDBM50558311

Oc1ccc(\C=C\C(=O)c2cccs2)c2ccccc12

BDBM23926

Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1

BDBM50491480

Oc1ccc(cc1)C(=O)\C=C\c1ccc(F)cc1

BDBM50558315

Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c2ccccc12

BDBM50491474

Oc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1

BDBM40697

Oc1ccc(cc1O)-c1cn2CCSc2n1

BDBM53132

Oc1ccc(cc1O)-c1cn2ccccc2n1

BDBM49365

Oc1ccc(cc1O)-c1csc(n1)-c1ccccc1

BDBM55134

Oc1ccc(cc1O)-c1csc(n1)-c1cccnc1

BDBM39612

Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1

BDBM34716

Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|

BDBM50461250

Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)C(=O)NC3(CC3)C#N)c2c1 |r|

BDBM50271692

Oc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r|

BDBM47291

Oc1cccc(c1)C(=O)NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12

BDBM50180

Oc1ccccc1Oc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O

BDBM50201702

S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1

BDBM21006

[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM35493

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

BDBM50157741

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

BDBM123100

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1nc(sc1F)-[#7]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6@H]-2-[#8]-[#6]-[#6](=O)-[#6@@H]-1-2 |r|

BDBM194226

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1nc(sc1F)-[#7]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2-[#8]-[#6]-[#6](=O)-[#6]-1-2 |r|

BDBM21002

[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM21005

[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM50421868

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

BDBM50306673

[#6]-[#6]-[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1cccc(Br)c1)-c1cccc(Br)c1

BDBM50031706

[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

BDBM50424712

[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

BDBM20996

[#6]-[#8]-c1ccc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c2ccc(cc2)-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6]-c2ccccc2)cc1 |r|

BDBM21000

BDBM50032226

[#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8]

BDBM50032157

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c1-[#8]

BDBM50237027

[#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)-c1nc(ncc1F)C#N

BDBM50330050

[#7]-[#6](=S)-[#7]\[#7]=[#6](/c1ccccc1)-c1ccccc1

BDBM50232477

[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1cc(-[#8])cc(Br)c1)-c1cc(-[#8])cc(Br)c1

BDBM50306668

[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1ccc(Br)cc1)-c1ccc(Br)cc1

BDBM50306676

[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1

BDBM50306675

[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1cccc(F)c1)-c1cccc(F)c1

BDBM50330053

[#7]-[#6](=S)-[#7]\[#7]=[#6]-1\c2cc(Br)ccc2-c2ccc(Br)cc-12

BDBM50491151

[#7]-[#6](=S)-[#7]\[#7]=[#6]-1\c2cc(ccc2-c2ccc(cc-12)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O

BDBM50330052

[#7]-[#6](=S)-[#7]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12

BDBM20993

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM20998

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM20995

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM20999

BDBM21004

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8-])=O)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM20997

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM21001

BDBM21003

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#7+])-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|

BDBM55182

[#8]-c1cc(F)ccc1-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)o1

BDBM59875

[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1cccc(c1)-c1ccc(C)o1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|

BDBM60073

[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc2CC(CC)CCc2c1C(=O)OCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|

BDBM60123

[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCCc2c1C#N |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|

BDBM41125

[H]C12CC([H])(C=C1)C1C2C(=O)N(C(Cc2ccccc2)C(=O)NCc2ccco2)C1=O |c:5,TLB:29:7:2:5.6,THB:9:8:2:5.6|

BDBM56450

[H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(=O)OC(C)C)-c1ccc(C)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|

BDBM37847

[H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(=O)OCC)-c1ccc(C)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|

BDBM37848

[H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1scc(c1C(=O)OCC)-c1ccc(cc1)-c1ccccc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|

BDBM50260364

[H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r|

BDBM50544159

[H][C@@]1(O[C@@H]1c1ccccc1Br)C(N(Cc1ccccc1)C(=O)c1ccccc1)C(=O)NCCCC |r|

BDBM50544160

[H][C@@]1(O[C@@H]1c1ccccc1[N+]([O-])=O)C(N(Cc1ccccc1)C(=O)c1ccccc1)C(=O)NCCCC |r|

BDBM50260367

[H][C@@]1(O[C@@H]1c1ccccc1[N+]([O-])=O)C(OC(=O)CCCCCBr)C(=O)NCCCCCCCC |r|

BDBM16509

[H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r|

BDBM50263574

[H][C@@]12COc3ccc(C[C@H](NC(=O)c4cc(ccc4OC[C@@]1([H])O2)S(C)(=O)=O)C(=O)NC1(CC1)C#N)cc3Cl |r|

BDBM36334

[H][C@](NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)(C(C)CC)C(=O)NCCc1ccc(O)cc1

BDBM50514683

[I-].C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50270031

[NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N |r|

BDBM50269858

[NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|

BDBM50270040

[NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N |r|

BDBM50270039

[NH3+][C@H](Cc1cccs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|

BDBM50232476

[Na+].[Na+].NC(=S)N\N=C(\c1cccc(Br)c1)c1cccc(OP([O-])([O-])=O)c1

BDBM50153289

[O-]C(=O)CC(S[Au])C([O-])=O

BDBM50201212

[O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM50201214

[O-][N+](=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

BDBM55154

[O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(Cc1ccccc1)c2=O

BDBM50258524

[O-][N+](=O)c1ccc(COC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 |r|

BDBM50415097

[O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12

BDBM55133

[O-][N+](=O)c1ccc(NC(=O)CSc2nnc[nH]2)c(Br)c1

BDBM55163

[O-][N+](=O)c1ccc(NC(=O)Nn2cnnc2)cc1

BDBM50197924

[O-][N+](=O)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1

BDBM50197923

[O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1

BDBM50463237

[O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)C#N)cc1

BDBM50491483

[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1

BDBM50385971

[O-][N+](=O)c1ccc2[nH]c3cc(OCc4ccccc4)ccc3c(=O)c2c1

BDBM50385972

[O-][N+](=O)c1ccc2[nH]c3ccc(OCc4ccccc4)cc3c(=O)c2c1

BDBM50385968

[O-][N+](=O)c1ccc2[nH]c3ccccc3c(=O)c2c1

BDBM55178

[O-][N+](=O)c1cccc(NC(=O)Nn2cnnc2)c1

BDBM50197929

[O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1

BDBM50463223

[O-][N+](=O)c1cccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)c1

BDBM50197893

[O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1

BDBM50463230

[O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1

BDBM59949

[O-][N+](=O)c1cccc(c1)-c1cc(=O)[nH][nH]1