SMILES for Thymidylate kinase

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NC34CC5CC(CC(C5)C3)C4)O2)c(=O)[nH]c1=O |TLB:17:18:16.21.15:22,THB:17:16:18.19.23:22,19:18:15:21.20.22,19:20:17.18.23:15|

BDBM50223799

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCCc3ccccc3)O2)c(=O)[nH]c1=O

BDBM50223800

Cc1ccc(NC(=S)NC[C@H]2O[C@@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)cc1

BDBM50223801

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O

BDBM50223802

Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(O)(O)=O)C2)c(=O)[nH]c1=O

BDBM50223803

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccc3)O2)c(=O)[nH]c1=O

BDBM50223804

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)O2)c(=O)[nH]c1=O

BDBM50223798

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O

BDBM50223787

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O

BDBM50223807

Cc1ccc(NC(=S)NC[C@H]2C[C@@H](O[C@@H]2CO)n2cc(C)c(=O)[nH]c2=O)cc1

BDBM50223810

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3cccc(c3)-c3cccnc3)O2)c(=O)[nH]c1=O

BDBM50223809

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccccc3)O2)c(=O)[nH]c1=O

BDBM50223808

Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50223806

CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O

BDBM50223811

Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)c(Cl)c3)[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50223812

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)N[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O

BDBM50223814

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NC(=O)c3ccccc3)O2)c(=O)[nH]c1=O

BDBM50223815

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCCc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O

BDBM50223816

Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50223817

Cc1cn([C@@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O

BDBM50223813

Cc1cn([C@@H]2CC[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O

BDBM50223818

COc1ccc(NC(=S)NC[C@H]2O[C@@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)cc1

BDBM50223805

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O

BDBM50223819

Cc1cn([C@H]2O[C@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)C=C2)c(=O)[nH]c1=O |c:24|

BDBM50223821

Cc1cn(COCCNC(=S)Nc2ccccc2)c(=O)[nH]c1=O

BDBM50223820

COc1ccc(NC(=S)NC[C@H]2C[C@@H](O[C@@H]2CO)n2cc(C)c(=O)[nH]c2=O)cc1

BDBM50271302

Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(Cc2ccccc2)c1=O |r|

BDBM50246637

OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O |r|

BDBM50164420

Cc1cn(Cc2ccc(Br)cc2)c(=O)[nH]c1=O

BDBM50271624

COC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1

BDBM50272059

COC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1

BDBM50271577

NC(=O)CCCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1

BDBM50271576

NC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1

BDBM50271575

OC(=O)CCCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1

BDBM50271535

OC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1

BDBM50271534

Cc1cn(Cc2ccc(CCCCCC(N)=O)cc2)c(=O)[nH]c1=O

BDBM50164414

Cc1cn(Cc2ccc(CCCCCC(O)=O)cc2)c(=O)[nH]c1=O

BDBM50271533

Cc1cn(Cc2ccc(cc2)C#CCCCC(O)=O)c(=O)[nH]c1=O

BDBM50271532

NC(=O)CCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1

BDBM50271531

OC(=O)CCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1

BDBM50271494

OC(=O)CCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1

BDBM50207303

OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O |r|

BDBM50271493

Cc1cn(Cc2ccc(CCCCC(N)=O)cc2)c(=O)[nH]c1=O

BDBM50271448

OC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1

BDBM50164412

OC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1

BDBM50164421

Cc1cn(Cc2ccc(CCCC(O)=O)cc2)c(=O)[nH]c1=O

BDBM50271492

Cc1cn(Cc2ccc(CCCCC(O)=O)cc2)c(=O)[nH]c1=O

BDBM50271491

NC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1

BDBM50271490

NC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1

BDBM50271447

OC(=O)CCCc1ccc(Cn2ccc(=O)[nH]c2=O)cc1

BDBM50271446

Cc1cn(Cc2ccc(CCCCO)cc2)c(=O)[nH]c1=O

BDBM50271445

Cc1cn(Cc2ccc(cc2)C#CCCO)c(=O)[nH]c1=O

BDBM50271444

Cc1cn(Cc2ccc(CCCC(N)=O)cc2)c(=O)[nH]c1=O

BDBM50271303

Cc1cn(Cc2ccc(\C=C\CC(O)=O)cc2)c(=O)[nH]c1=O

BDBM50164417

Cc1cn(Cc2ccc(C=CC(N)=O)cc2)c(=O)[nH]c1=O |w:9.8|

BDBM50164411

Cc1cn(Cc2ccc(CCC(O)=O)cc2)c(=O)[nH]c1=O

BDBM50164407

Cc1cn(Cc2ccc(CCC(N)=O)cc2)c(=O)[nH]c1=O

BDBM50332929

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|

BDBM50332930

Cc1cn(C\C=C\CN2C(=O)c3cccc4cccc2c34)c(=O)[nH]c1=O

BDBM50332931

Cc1cn(C\C=C\CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)[nH]c1=O

BDBM50332932

Cc1cn(C\C=C\Cn2c3cccc4CCCn(c34)c2=O)c(=O)[nH]c1=O

BDBM50332933

CC(=O)NC1Cc2cccc3n(C\C=C\Cn4cc(C)c(=O)[nH]c4=O)c(=O)n(C1)c23

BDBM50332934

Cc1cn(C\C=C\Cn2c3cccc4CC(N)Cn(c34)c2=O)c(=O)[nH]c1=O

BDBM50332935

CC(=O)Nc1cc2CCCn3c2c(c1)n(C\C=C\Cn1cc(C)c(=O)[nH]c1=O)c3=O

BDBM50332936

Cc1cn(C\C=C\Cn2c3cc(N)cc4CCCn(c34)c2=O)c(=O)[nH]c1=O

BDBM50332937

Cc1cn(C\C=C\CN2c3cccc4CCCN(c34)S2(=O)=O)c(=O)[nH]c1=O

BDBM50332938

Brc1cn(C\C=C\CN2c3cccc4CCCN(c34)S2(=O)=O)c(=O)[nH]c1=O

BDBM50351772

Cc1cn([C@H]2C[C@@H](O)CO2)c(=O)[nH]c1=O |r|

BDBM50359618

Cc1cn([C@H]2C[C@H](NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50314850

Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50002692

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

BDBM50314836

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccc2)c(=O)[nH]c1=O |r|

BDBM50314839

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=O |r|

BDBM50359619

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=S |r|

BDBM50314837

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O |r|

BDBM50359620

Cc1cn([C@H]2C[C@H](Nc3nnnn3-c3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50359621

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2nnnc2NCc2ccccc2)c(=O)[nH]c1=O |r|

BDBM50359622

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O

BDBM50359623

Cc1cn([C@H]2C[C@H](O)[C@@H](CNc3nnnn3-c3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O |r|

BDBM50359624

Cc1cn([C@H]2C[C@H](O)[C@@H](Cn3cc(nn3)-c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O |r|

BDBM50359625

Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=S |r|

BDBM50359626

Cc1cn([C@@H]2C[C@H](O)[C@@H](Cn3cc(nn3)-c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O |r|

BDBM50359627

Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50359628

Cc1cn([C@@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=O |r|

BDBM50365390

Cn1c2cc(cnc2[nH]c1=O)-c1ccccc1

BDBM50365391

Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(N)=O

BDBM50365392

Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccccc1

BDBM50365393

Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccc(F)cc1

BDBM50365394

Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccc(cc1)C(F)(F)F

BDBM50365395

OC(=O)c1cc(SSc2ccc(c(c2)C(O)=O)[N+]([O-])=O)ccc1[N+]([O-])=O

BDBM50132286

OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O

BDBM50132287

Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50132289

Cc1cn([C@@H]2O[C@H](CI)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O

BDBM50132288

O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccco2)c(=O)[nH]c1=O

BDBM50132290

Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=C(N)N)[C@H]2O)c(=O)[nH]c1=O |wU:4.3,6.6,wD:9.9,14.15,(12.72,-.05,;12.72,-1.59,;11.39,-2.36,;11.39,-3.9,;10.06,-4.67,;8.66,-4.04,;7.64,-5.19,;6.1,-5.04,;5.47,-3.62,;8.41,-6.53,;7.8,-7.94,;6.26,-8.1,;5.35,-6.87,;5.63,-9.52,;9.92,-6.21,;11.07,-7.23,;12.72,-4.67,;12.72,-6.21,;14.05,-3.9,;14.05,-2.36,;15.41,-1.59,)|

BDBM50132291

Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r|

BDBM50132292

CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50132295

C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r|

BDBM50132293

Cc1cn([C@@H]2CO[C@H](COP([O-])([O-])=O)[C@@H](O)C2)c(=O)[nH]c1=O

BDBM50132297

Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O |r|

BDBM50132294

Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50132296

C[C@@H]1CC[C@@H](O1)n1cc(Br)c(=O)[nH]c1=O

BDBM50132298

OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F |r|

BDBM50132299

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r|

BDBM50132301

C[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cc(C)c(=O)[nH]c1=O

BDBM50132302

O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2cccs2)c(=O)[nH]c1=O

BDBM50132304

O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(Cc2ccccc2)c(=O)[nH]c1=O

BDBM50132305

Cc1cn([C@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O |r|

BDBM50132306

Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O

BDBM50132307

CC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O

BDBM50367697

Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r|

BDBM50367698

Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r|

BDBM50367699

Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(O)OP(O)(O)OP(O)(O)OP(O)(O)OP(O)(O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|

BDBM50367703

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r|

BDBM50367704

Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r|

BDBM50367696

Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r|

BDBM50367702

Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r|

BDBM50367701

Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r|

BDBM50131909

Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50131911

Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O

BDBM50131910

Cc1cn([C@H]2C[C@H](CO)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O

BDBM50131912

Cc1cn([C@H]2C[C@H](CF)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O

BDBM50131913

Cc1cn([C@H]2C[C@H](CO)[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50131915

Cc1cn([C@H]2C[C@H](CF)[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50131908

Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50131917

Cc1cn([C@H]2C[C@H](CCO)[C@@H](CO)O2)c(=O)[nH]c1=O

BDBM50131914

Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O

BDBM50131907

Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O

BDBM50131916

Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O

BDBM50131918

Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](CN=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O

BDBM50131919

Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O

BDBM50164406

CCOC(=O)CCc1ccc(Cn2cc(C)c(=O)[nH]c2=O)cc1

BDBM50164408

Cc1cn(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O

BDBM50164409

Cc1cn(Cc2ccc(F)c(F)c2)c(=O)[nH]c1=O

BDBM50164410

Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O

BDBM50164413

O=c1[nH]c(=O)n(Cc2ccccc2)cc1C#N

BDBM50164415

Clc1cccc(Cn2cc(C#N)c(=O)[nH]c2=O)c1

BDBM50164416

Cc1cn(Cc2cccc(Cl)c2)c(=O)[nH]c1=O

BDBM50164418

Cc1cn(Cc2ccc(F)cc2)c(=O)[nH]c1=O

BDBM50164419

Cc1cn(Cc2cccc(F)c2)c(=O)[nH]c1=O

BDBM50164422

Brc1cn(Cc2ccccc2)c(=O)[nH]c1=O

BDBM50156569

Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN)[C@H]2Cl)c(=O)[nH]c1=O |r|

BDBM50156568

Cc1cn([C@H]2C[C@H](CNC(=O)N[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50156570

Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O |r|

BDBM50156571

Cc1cn([C@@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50156572

Cc1cn([C@H]2C[C@H](CN[N+]#N)[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50156573

Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=O)O[C@@H]23)c(=O)[nH]c1=O |r|

BDBM50156574

Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN=[N+]=[N-])[C@H]2F)c(=O)[nH]c1=O |r|

BDBM50156575

Cc1cn([C@@H]2O[C@H](CO)C(CN=[N+]=[N-])[C@H]2Cl)c(=O)[nH]c1=O |r|

BDBM50156576

Cc1cn([C@@H]2O[C@H](CF)[C@@H](CN=[N+]=[N-])[C@H]2F)c(=O)[nH]c1=O |r|

BDBM50398957

CCCCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Br)c2)c1 |r|

BDBM50398958

CCC(C)(C)C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r|

BDBM50398959

CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O

BDBM50398960

CCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r|

BDBM50398961

C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r|

BDBM50398962

CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O

BDBM50424078

Cc1cn([C@H]2C[C@H](O)[C@@H](CCc3nnn[nH]3)O2)c(=O)[nH]c1=O |r|

BDBM50424079

Cc1cn([C@H]2C[C@H](O)[C@@H](CCC#N)O2)c(=O)[nH]c1=O |r|

BDBM50424080

CNS(=O)(=O)CC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|

BDBM50424081

Cc1cn([C@H]2C[C@H](O)[C@@H](CCS(C)(=O)=O)O2)c(=O)[nH]c1=O |r|

BDBM50428613

CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O

BDBM50498054

CSc1cc(nc(O)c1C#N)-c1ccccc1

BDBM50498055

CSc1cc([nH]c(=O)c1C#N)-c1cccs1

BDBM50498056

CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C

BDBM50498057

CCNC(=O)Nc1ccc(cc1)-c1c2CCc3c(OC)cccc3-c2[nH]c(=O)c1C#N

BDBM50498058

COc1cccc(c1)-c1cc(-c2ccc(N)cc2)c(C#N)c(=O)[nH]1

BDBM50498059

CC(C)c1ccc(COc2cccc(c2)-c2cc([S+](C)[O-])c(C#N)c(=O)[nH]2)cc1

BDBM50498060

CS(=O)(=O)c1cc([nH]c(=O)c1C#N)-c1cccc(OCc2cccc(Cl)c2)c1

BDBM50498061

CS(=O)(=O)c1cc([nH]c(=O)c1C#N)-c1cccc(Br)c1

BDBM50498062

C[S+]([O-])c1cc([nH]c(=O)c1C#N)-c1cccc(Br)c1

BDBM50498063

C[S+]([O-])c1cc([nH]c(=O)c1C#N)-c1cccs1

BDBM50498064

CCCc1cc2[nH]c(=O)c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)c2c(C)n1

BDBM50498065

CCCc1cc2[nH]c(=O)c(C#N)c(-c3ccccc3)c2c(C)n1

BDBM50498066

Cc1nccc2nc(O)c(cc12)C#N

BDBM50498067

CCCc1cc2c(c(n1)C)C=CC(=O)N2

BDBM50498068

CC(C)c1ccc(COc2cccc-3c2CCc2c-3[nH]c(=O)c(C#N)c2-c2ccc(cc2)C(O)=O)cc1

BDBM50498069

OC(=O)c1ccc(cc1)-c1c2CCc3c(cccc3-c2[nH]c(=O)c1C#N)-c1cn[nH]c1

BDBM50498070

OC(=O)c1ccc(cc1)-c1c2CCc3c(O)cccc3-c2[nH]c(=O)c1C#N

BDBM50498071

CSc1cc(oc(=O)c1C#N)-c1cccs1

BDBM50498072

COc1cccc(c1)-c1nc(SC)c(C#N)c(=O)[nH]1

BDBM50498073

COc1cccc(c1)-c1cc(-c2ccc(NC(C)=O)cc2)c(C#N)c(=O)[nH]1

BDBM50498074

CCNC(=O)Nc1ccc(cc1)-c1cc([nH]c(=O)c1C#N)-c1cccc(OC)c1

BDBM50498075

CSc1cc([nH]c(=O)c1C#N)-c1ccccn1

BDBM50498076

COc1ccc(cc1)-c1cc(SC)c(C#N)c(=O)[nH]1

BDBM50498077

COc1cccc(c1)-c1cc(SC)c(C#N)c(=O)[nH]1

BDBM50498078

CSc1cc([nH]c(=O)c1C#N)-c1cccc(Cl)c1

BDBM50498079

CC(C)CCOc1cccc(c1)-c1cc([S+](C)[O-])c(C#N)c(=O)[nH]1

BDBM50498080

C[S+]([O-])c1cc([nH]c(=O)c1C#N)-c1cccc(OC(F)(F)F)c1

BDBM50498081

CCc1cc2[nH]c(=O)c(C)c(C)c2c(CC)n1

BDBM50498082

CS(=O)(=O)NC(=O)c1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N

BDBM50498083

CSc1cc([nH]c(=O)c1C(N)=O)-c1cccc(Cl)c1

BDBM50498084

COc1cccc(c1)-c1cc(-c2cccnc2)c(C#N)c(=O)[nH]1

BDBM50498085

COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O

BDBM50498086

COc1ccccc1-c1cc(SC)c(C#N)c(=O)[nH]1

BDBM50498087

CS(=O)(=O)c1cc([nH]c(=O)c1)-c1cccc(Br)c1

BDBM50498088

CCc1cc2[nH]c(=O)c(C#N)c(-c3ccccc3)c2c(C)n1

BDBM50498089

OC(=O)c1ccc(cc1)-c1c2CCc3ccccc3-c2[nH]c(=O)c1C#N

BDBM50498090

CC(C)c1ccc(COc2cccc(c2)-c2cc(-c3ccc(cc3)C(O)=O)c(C#N)c(=O)[nH]2)cc1

BDBM50498091

COc1cccc(c1)-c1cc(c(C)c(=O)[nH]1)-c1ccc(cc1)C(O)=O

BDBM50498092

CS(=O)(=O)c1c2COc3ccccc3-c2[nH]c(=O)c1C#N

BDBM50498093

O=C(NS(=O)(=O)c1ccccc1)c1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N

BDBM50498094

COc1cccc(c1)-c1cc(-c2cccc(N)c2)c(C#N)c(=O)[nH]1

BDBM50498095

COc1cccc(c1)-c1cc(-c2cccc(c2)C(O)=O)c(C#N)c(=O)[nH]1

BDBM50498096

COc1cccc-2c1CCc1c-2[nH]c(=O)c(C#N)c1-c1ccc(cc1)C(O)=O

BDBM50550238

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cn1sc2ccccc2c1=O

BDBM50550239

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cn1sc2ncccc2c1=O

BDBM50550240

CCOC(=O)N1CCN(CC1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O

BDBM50574942

Cc1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O

BDBM50574943

CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4

BDBM50574944

Cc1cn(C2CCN(Cc3cc(Oc4ccccc4)ccn3)CC2)c(=O)[nH]c1=O

BDBM50574945

Cc1cn(C2CCN(Cc3cncc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O

BDBM50574946

Cc1cn(C2CCN(Cc3ccnc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O

BDBM50574947

Cc1cn(C2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)c(=O)[nH]c1=O

BDBM50574948

Cc1cn(C2CCN(Cc3cccc(Oc4cccnc4)c3)CC2)c(=O)[nH]c1=O

BDBM50574949

Cc1cn(C2CCN(Cc3cccc(Oc4ccncc4)c3)CC2)c(=O)[nH]c1=O

BDBM50574950

Cc1cn(C2CCN(Cc3cccc(OC4CCCC4)c3)CC2)c(=O)[nH]c1=O

BDBM50574951

Cc1cn(C2CCN(Cc3cccc(OC4CCCCC4)c3)CC2)c(=O)[nH]c1=O

BDBM50574952

Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c(=O)[nH]c1=O

BDBM50574953

COc1ccc(Oc2cccc(CN3CCC(CC3)n3cc(C)c(=O)[nH]c3=O)c2)cc1

BDBM50574954

Cc1ccc(Oc2cccc(CN3CCC(CC3)n3cc(C)c(=O)[nH]c3=O)c2)cc1

BDBM50574955

Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)c(Cl)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574956

Cc1cn(C2CCN(Cc3cccc(Oc4cccc(Cl)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574957

Cc1cccc(Oc2cccc(CN3CCC(CC3)n3cc(C)c(=O)[nH]c3=O)c2)c1

BDBM50574958

Cc1cn(C2CCN(Cc3cccc(Oc4cccc(F)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574959

Cc1cn(C2CCN(Cc3cccc(Oc4cccc(O)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574960

COc1cccc(Oc2cccc(CN3CCC(CC3)n3cc(C)c(=O)[nH]c3=O)c2)c1

BDBM50574961

Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)c(c4)C(F)(F)F)c3)CC2)c(=O)[nH]c1=O

BDBM50574962

Cc1cn(C2CCN(Cc3cccc(Oc4ccc(F)c(F)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574963

Cc1cn(C2CCN(Cc3cccc(Oc4cccc(c4)C(F)(F)F)c3)CC2)c(=O)[nH]c1=O

BDBM50574964

Cc1cn(C2CCN(Cc3cccc(Oc4cccc(OC(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574965

Cc1cn(C2CCN(Cc3cccc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574966

Cc1cn(C2CCN(Cc3cccc(Oc4cc(F)cc(F)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574967

Cc1cn(C2CCN(Cc3cccc(Oc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c3)CC2)c(=O)[nH]c1=O

BDBM50574968

Cc1cn(C2CCN(Cc3cccc(Oc4ccc(O)cc4)n3)CC2)c(=O)[nH]c1=O

BDBM50574969

Cc1cn(C2CCN(Cc3cccc(Oc4ccccc4C(O)=O)n3)CC2)c(=O)[nH]c1=O

BDBM50574970

Cc1cn(C2CCN(Cc3cccc(Oc4cccc(Cl)c4)n3)CC2)c(=O)[nH]c1=O

BDBM50574971

Cc1cn(C2CCN(Cc3cc(Oc4cccc(Cl)c4)ccn3)CC2)c(=O)[nH]c1=O

BDBM50574972

Cc1cn(C2CCN(Cc3cc(Oc4cc(Cl)cc(Cl)c4)ccn3)CC2)c(=O)[nH]c1=O

BDBM50574973

CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)Oc4cccc(c4)Cl

BDBM50574974

Cc1cn(C2CCN(Cc3cncc(Oc4cccc(OC(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574975

Cc1cn(C2CCN(Cc3cncc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50574976

Cc1cn(C2CCN(Cc3ccnc(Oc4cccc(Cl)c4)c3)CC2)c(=O)[nH]c1=O

BDBM50626419

Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|

BDBM50626420

Cc1cn([C@H]2C[C@H](CN)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O

BDBM50626421

Cc1cn([C@H]2C[C@H](CF)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|

BDBM50626422

Cc1cn([C@H]2C[C@H](NC(=O)N[C@H]3C[C@@H](O[C@@H]3O)c3[nH]c(=O)[nH]c(=O)c3C)[C@@H](CO)O2)c(=O)[nH]c1=O |r|

BDBM50626423

Cc1cn(C\C=C/CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)[nH]c1=O

BDBM50628072

CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCc1cn(CC(=O)c2ccc(Cl)cc2)nn1 |c:5|

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12